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-28ef762a/inputs/seq.fa first_line: R R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3_mut-28ef762a/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-28ef762a/inputs/seq.fa first_line: R R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3_mut-28ef762a/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-28ef762a/inputs/seq.fa first_line: R R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3_mut-28ef762a/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-28ef762a/inputs/seq.fa first_line: R R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3_mut-28ef762a/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-28ef762a/inputs/seq.fa first_line: R R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3_mut-28ef762a/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-28ef762a/inputs/seq.fa first_line: R R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3_mut-28ef762a/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-28ef762a/inputs/seq.fa first_line: R R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3_mut-28ef762a/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-28ef762a/inputs/seq.fa first_line: R R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3_mut-28ef762a/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-28ef762a/inputs/seq.fa first_line: R R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3_mut-28ef762a/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-28ef762a/inputs/seq.fa first_line: R R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3_mut-28ef762a/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: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -837.114479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.114479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.114479 (E_RNA) where: Base-Base interactions energy: -321.083 where: short stacking energy: -309.567 Base-Backbone interact. energy: -0.720 local terms energy: -515.310807 where: bonds (distance) C4'-P energy: -130.344 bonds (distance) P-C4' energy: -135.151 flat angles C4'-P-C4' energy: -125.829 flat angles P-C4'-P energy: -74.656 tors. eta vs tors. theta energy: -49.331 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: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -764.902964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.902964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.902964 (E_RNA) where: Base-Base interactions energy: -268.603 where: short stacking energy: -265.646 Base-Backbone interact. energy: 1.750 local terms energy: -498.049945 where: bonds (distance) C4'-P energy: -123.269 bonds (distance) P-C4' energy: -133.317 flat angles C4'-P-C4' energy: -115.631 flat angles P-C4'-P energy: -75.724 tors. eta vs tors. theta energy: -50.108 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: 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: 7 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -816.285428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.285428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.285428 (E_RNA) where: Base-Base interactions energy: -329.601 where: short stacking energy: -305.558 Base-Backbone interact. energy: 0.474 local terms energy: -487.158875 where: bonds (distance) C4'-P energy: -123.049 bonds (distance) P-C4' energy: -138.479 flat angles C4'-P-C4' energy: -118.811 flat angles P-C4'-P energy: -65.621 tors. eta vs tors. theta energy: -41.200 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: 7, replica: 8 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -792.908900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.908900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.908900 (E_RNA) where: Base-Base interactions energy: -276.891 where: short stacking energy: -270.580 Base-Backbone interact. energy: -2.849 local terms energy: -513.169673 where: bonds (distance) C4'-P energy: -116.935 bonds (distance) P-C4' energy: -154.147 flat angles C4'-P-C4' energy: -127.542 flat angles P-C4'-P energy: -65.188 tors. eta vs tors. theta energy: -49.358 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: 6 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -709.109264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.109264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.109264 (E_RNA) where: Base-Base interactions energy: -262.794 where: short stacking energy: -256.875 Base-Backbone interact. energy: -1.562 local terms energy: -444.753072 where: bonds (distance) C4'-P energy: -121.423 bonds (distance) P-C4' energy: -128.644 flat angles C4'-P-C4' energy: -117.194 flat angles P-C4'-P energy: -55.524 tors. eta vs tors. theta energy: -21.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 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: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -969.736258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.736258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.736258 (E_RNA) where: Base-Base interactions energy: -393.163 where: short stacking energy: -367.116 Base-Backbone interact. energy: -2.187 local terms energy: -574.385780 where: bonds (distance) C4'-P energy: -137.538 bonds (distance) P-C4' energy: -139.194 flat angles C4'-P-C4' energy: -134.191 flat angles P-C4'-P energy: -92.586 tors. eta vs tors. theta energy: -70.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -894.051648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.051648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.051648 (E_RNA) where: Base-Base interactions energy: -340.928 where: short stacking energy: -316.002 Base-Backbone interact. energy: -1.715 local terms energy: -551.409042 where: bonds (distance) C4'-P energy: -126.265 bonds (distance) P-C4' energy: -155.888 flat angles C4'-P-C4' energy: -126.671 flat angles P-C4'-P energy: -91.229 tors. eta vs tors. theta energy: -51.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -786.866111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.866111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.866111 (E_RNA) where: Base-Base interactions energy: -312.115 where: short stacking energy: -273.048 Base-Backbone interact. energy: -0.227 local terms energy: -474.524517 where: bonds (distance) C4'-P energy: -119.274 bonds (distance) P-C4' energy: -130.755 flat angles C4'-P-C4' energy: -112.422 flat angles P-C4'-P energy: -76.705 tors. eta vs tors. theta energy: -35.369 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: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -726.608059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.608059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.608059 (E_RNA) where: Base-Base interactions energy: -282.215 where: short stacking energy: -243.101 Base-Backbone interact. energy: -1.444 local terms energy: -442.948660 where: bonds (distance) C4'-P energy: -127.232 bonds (distance) P-C4' energy: -134.360 flat angles C4'-P-C4' energy: -102.366 flat angles P-C4'-P energy: -66.036 tors. eta vs tors. theta energy: -12.955 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: 6 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -678.629886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.629886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.629886 (E_RNA) where: Base-Base interactions energy: -260.260 where: short stacking energy: -227.182 Base-Backbone interact. energy: 4.285 local terms energy: -422.654330 where: bonds (distance) C4'-P energy: -122.796 bonds (distance) P-C4' energy: -128.329 flat angles C4'-P-C4' energy: -111.017 flat angles P-C4'-P energy: -55.153 tors. eta vs tors. theta energy: -5.359 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: 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: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -1006.932659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.932659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.932659 (E_RNA) where: Base-Base interactions energy: -424.954 where: short stacking energy: -380.363 Base-Backbone interact. energy: -0.274 local terms energy: -581.704702 where: bonds (distance) C4'-P energy: -133.992 bonds (distance) P-C4' energy: -154.322 flat angles C4'-P-C4' energy: -131.909 flat angles P-C4'-P energy: -84.071 tors. eta vs tors. theta energy: -77.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -889.848881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.848881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.848881 (E_RNA) where: Base-Base interactions energy: -351.009 where: short stacking energy: -341.823 Base-Backbone interact. energy: 2.916 local terms energy: -541.756153 where: bonds (distance) C4'-P energy: -123.433 bonds (distance) P-C4' energy: -144.667 flat angles C4'-P-C4' energy: -147.614 flat angles P-C4'-P energy: -72.905 tors. eta vs tors. theta energy: -53.137 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: 8 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -811.977103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.977103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.977103 (E_RNA) where: Base-Base interactions energy: -302.387 where: short stacking energy: -289.490 Base-Backbone interact. energy: -0.383 local terms energy: -509.291788 where: bonds (distance) C4'-P energy: -134.072 bonds (distance) P-C4' energy: -137.731 flat angles C4'-P-C4' energy: -112.694 flat angles P-C4'-P energy: -76.277 tors. eta vs tors. theta energy: -48.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.084 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -703.091386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.091386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.091386 (E_RNA) where: Base-Base interactions energy: -266.046 where: short stacking energy: -248.718 Base-Backbone interact. energy: 1.984 local terms energy: -439.029101 where: bonds (distance) C4'-P energy: -119.224 bonds (distance) P-C4' energy: -136.525 flat angles C4'-P-C4' energy: -132.053 flat angles P-C4'-P energy: -59.928 tors. eta vs tors. theta energy: 8.700 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: 6 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -651.811706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.811706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.811706 (E_RNA) where: Base-Base interactions energy: -223.388 where: short stacking energy: -197.596 Base-Backbone interact. energy: 0.072 local terms energy: -428.496260 where: bonds (distance) C4'-P energy: -139.207 bonds (distance) P-C4' energy: -130.581 flat angles C4'-P-C4' energy: -99.476 flat angles P-C4'-P energy: -68.243 tors. eta vs tors. theta energy: 9.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -596.198182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.198182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.198182 (E_RNA) where: Base-Base interactions energy: -220.328 where: short stacking energy: -191.392 Base-Backbone interact. energy: 2.945 local terms energy: -378.814789 where: bonds (distance) C4'-P energy: -133.763 bonds (distance) P-C4' energy: -116.606 flat angles C4'-P-C4' energy: -113.391 flat angles P-C4'-P energy: -51.404 tors. eta vs tors. theta energy: 36.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -583.473100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.473100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.473100 (E_RNA) where: Base-Base interactions energy: -195.840 where: short stacking energy: -188.938 Base-Backbone interact. energy: -1.743 local terms energy: -385.889778 where: bonds (distance) C4'-P energy: -110.471 bonds (distance) P-C4' energy: -122.737 flat angles C4'-P-C4' energy: -91.459 flat angles P-C4'-P energy: -73.254 tors. eta vs tors. theta energy: 12.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: -923.632432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.632432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.632432 (E_RNA) where: Base-Base interactions energy: -368.563 where: short stacking energy: -358.704 Base-Backbone interact. energy: 2.761 local terms energy: -557.831106 where: bonds (distance) C4'-P energy: -118.408 bonds (distance) P-C4' energy: -153.145 flat angles C4'-P-C4' energy: -139.568 flat angles P-C4'-P energy: -92.730 tors. eta vs tors. theta energy: -53.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -879.449370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.449370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.449370 (E_RNA) where: Base-Base interactions energy: -370.177 where: short stacking energy: -363.540 Base-Backbone interact. energy: -0.620 local terms energy: -508.652915 where: bonds (distance) C4'-P energy: -127.922 bonds (distance) P-C4' energy: -126.669 flat angles C4'-P-C4' energy: -137.279 flat angles P-C4'-P energy: -56.720 tors. eta vs tors. theta energy: -60.063 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: 8 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -778.800992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.800992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.800992 (E_RNA) where: Base-Base interactions energy: -297.618 where: short stacking energy: -258.087 Base-Backbone interact. energy: -1.262 local terms energy: -479.921323 where: bonds (distance) C4'-P energy: -134.619 bonds (distance) P-C4' energy: -126.202 flat angles C4'-P-C4' energy: -119.786 flat angles P-C4'-P energy: -71.089 tors. eta vs tors. theta energy: -28.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -756.405134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.405134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.405134 (E_RNA) where: Base-Base interactions energy: -294.714 where: short stacking energy: -249.289 Base-Backbone interact. energy: 0.407 local terms energy: -462.097696 where: bonds (distance) C4'-P energy: -139.351 bonds (distance) P-C4' energy: -131.842 flat angles C4'-P-C4' energy: -105.433 flat angles P-C4'-P energy: -68.793 tors. eta vs tors. theta energy: -16.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -670.609727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.609727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.609727 (E_RNA) where: Base-Base interactions energy: -234.727 where: short stacking energy: -217.356 Base-Backbone interact. energy: 1.067 local terms energy: -436.949771 where: bonds (distance) C4'-P energy: -120.344 bonds (distance) P-C4' energy: -133.805 flat angles C4'-P-C4' energy: -112.268 flat angles P-C4'-P energy: -66.306 tors. eta vs tors. theta energy: -4.226 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: 9, replica: 9 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -629.413657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.413657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.413657 (E_RNA) where: Base-Base interactions energy: -204.674 where: short stacking energy: -178.781 Base-Backbone interact. energy: 2.076 local terms energy: -426.815343 where: bonds (distance) C4'-P energy: -115.129 bonds (distance) P-C4' energy: -145.034 flat angles C4'-P-C4' energy: -119.148 flat angles P-C4'-P energy: -70.529 tors. eta vs tors. theta energy: 23.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -571.342777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.342777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.342777 (E_RNA) where: Base-Base interactions energy: -175.691 where: short stacking energy: -148.759 Base-Backbone interact. energy: -0.136 local terms energy: -395.515633 where: bonds (distance) C4'-P energy: -123.118 bonds (distance) P-C4' energy: -126.595 flat angles C4'-P-C4' energy: -110.622 flat angles P-C4'-P energy: -51.881 tors. eta vs tors. theta energy: 16.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: -992.060657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.060657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.060657 (E_RNA) where: Base-Base interactions energy: -420.364 where: short stacking energy: -367.908 Base-Backbone interact. energy: 1.138 local terms energy: -572.834140 where: bonds (distance) C4'-P energy: -143.180 bonds (distance) P-C4' energy: -147.582 flat angles C4'-P-C4' energy: -138.370 flat angles P-C4'-P energy: -86.777 tors. eta vs tors. theta energy: -56.925 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: 5, replica: 8 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -851.472315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.472315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.472315 (E_RNA) where: Base-Base interactions energy: -338.786 where: short stacking energy: -308.955 Base-Backbone interact. energy: -1.275 local terms energy: -511.411181 where: bonds (distance) C4'-P energy: -128.173 bonds (distance) P-C4' energy: -138.756 flat angles C4'-P-C4' energy: -142.527 flat angles P-C4'-P energy: -78.846 tors. eta vs tors. theta energy: -23.110 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: 4 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -837.213303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.213303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.213303 (E_RNA) where: Base-Base interactions energy: -291.365 where: short stacking energy: -262.105 Base-Backbone interact. energy: -0.902 local terms energy: -544.946073 where: bonds (distance) C4'-P energy: -141.994 bonds (distance) P-C4' energy: -139.675 flat angles C4'-P-C4' energy: -131.197 flat angles P-C4'-P energy: -74.372 tors. eta vs tors. theta energy: -57.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -780.093890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.093890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.093890 (E_RNA) where: Base-Base interactions energy: -306.369 where: short stacking energy: -237.149 Base-Backbone interact. energy: -0.264 local terms energy: -473.460320 where: bonds (distance) C4'-P energy: -122.978 bonds (distance) P-C4' energy: -140.916 flat angles C4'-P-C4' energy: -113.363 flat angles P-C4'-P energy: -79.060 tors. eta vs tors. theta energy: -17.143 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: 8, replica: 6 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -681.787270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.787270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.787270 (E_RNA) where: Base-Base interactions energy: -257.248 where: short stacking energy: -248.957 Base-Backbone interact. energy: 3.960 local terms energy: -428.499877 where: bonds (distance) C4'-P energy: -112.418 bonds (distance) P-C4' energy: -121.022 flat angles C4'-P-C4' energy: -115.140 flat angles P-C4'-P energy: -68.860 tors. eta vs tors. theta energy: -11.060 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: 9, replica: 9 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -642.489350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.489350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.489350 (E_RNA) where: Base-Base interactions energy: -210.469 where: short stacking energy: -181.579 Base-Backbone interact. energy: 1.636 local terms energy: -433.655880 where: bonds (distance) C4'-P energy: -123.969 bonds (distance) P-C4' energy: -135.776 flat angles C4'-P-C4' energy: -122.058 flat angles P-C4'-P energy: -50.448 tors. eta vs tors. theta energy: -1.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -587.969763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.969763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.969763 (E_RNA) where: Base-Base interactions energy: -201.827 where: short stacking energy: -190.420 Base-Backbone interact. energy: 1.513 local terms energy: -387.655785 where: bonds (distance) C4'-P energy: -112.305 bonds (distance) P-C4' energy: -112.452 flat angles C4'-P-C4' energy: -102.014 flat angles P-C4'-P energy: -65.480 tors. eta vs tors. theta energy: 4.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 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: -985.861433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.861433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.861433 (E_RNA) where: Base-Base interactions energy: -432.474 where: short stacking energy: -353.490 Base-Backbone interact. energy: 0.718 local terms energy: -554.105450 where: bonds (distance) C4'-P energy: -133.295 bonds (distance) P-C4' energy: -153.342 flat angles C4'-P-C4' energy: -112.517 flat angles P-C4'-P energy: -92.969 tors. eta vs tors. theta energy: -61.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -916.446216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.446216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.446216 (E_RNA) where: Base-Base interactions energy: -368.960 where: short stacking energy: -350.525 Base-Backbone interact. energy: 1.183 local terms energy: -548.669323 where: bonds (distance) C4'-P energy: -136.841 bonds (distance) P-C4' energy: -132.198 flat angles C4'-P-C4' energy: -145.564 flat angles P-C4'-P energy: -76.732 tors. eta vs tors. theta energy: -57.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -879.752788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.752788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.752788 (E_RNA) where: Base-Base interactions energy: -366.068 where: short stacking energy: -293.680 Base-Backbone interact. energy: -2.571 local terms energy: -511.113467 where: bonds (distance) C4'-P energy: -125.105 bonds (distance) P-C4' energy: -136.241 flat angles C4'-P-C4' energy: -124.520 flat angles P-C4'-P energy: -79.799 tors. eta vs tors. theta energy: -45.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -737.152348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.152348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.152348 (E_RNA) where: Base-Base interactions energy: -289.196 where: short stacking energy: -229.660 Base-Backbone interact. energy: 1.468 local terms energy: -449.424261 where: bonds (distance) C4'-P energy: -124.317 bonds (distance) P-C4' energy: -116.441 flat angles C4'-P-C4' energy: -110.643 flat angles P-C4'-P energy: -81.058 tors. eta vs tors. theta energy: -16.965 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: 8, replica: 6 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -734.955194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.955194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.955194 (E_RNA) where: Base-Base interactions energy: -287.439 where: short stacking energy: -252.033 Base-Backbone interact. energy: 0.525 local terms energy: -448.041142 where: bonds (distance) C4'-P energy: -136.205 bonds (distance) P-C4' energy: -135.576 flat angles C4'-P-C4' energy: -119.454 flat angles P-C4'-P energy: -39.073 tors. eta vs tors. theta energy: -17.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -637.602483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.602483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.602483 (E_RNA) where: Base-Base interactions energy: -226.482 where: short stacking energy: -201.432 Base-Backbone interact. energy: -0.270 local terms energy: -410.850490 where: bonds (distance) C4'-P energy: -127.364 bonds (distance) P-C4' energy: -133.618 flat angles C4'-P-C4' energy: -91.994 flat angles P-C4'-P energy: -70.079 tors. eta vs tors. theta energy: 12.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -575.908905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.908905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.908905 (E_RNA) where: Base-Base interactions energy: -169.726 where: short stacking energy: -159.998 Base-Backbone interact. energy: 1.478 local terms energy: -407.661056 where: bonds (distance) C4'-P energy: -100.829 bonds (distance) P-C4' energy: -133.610 flat angles C4'-P-C4' energy: -123.027 flat angles P-C4'-P energy: -57.518 tors. eta vs tors. theta energy: 7.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 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: -1045.017330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.017330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.017330 (E_RNA) where: Base-Base interactions energy: -451.780 where: short stacking energy: -375.537 Base-Backbone interact. energy: 2.419 local terms energy: -595.656204 where: bonds (distance) C4'-P energy: -153.808 bonds (distance) P-C4' energy: -146.484 flat angles C4'-P-C4' energy: -141.151 flat angles P-C4'-P energy: -90.352 tors. eta vs tors. theta energy: -63.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -903.817935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.817935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.817935 (E_RNA) where: Base-Base interactions energy: -361.996 where: short stacking energy: -312.983 Base-Backbone interact. energy: -1.890 local terms energy: -539.930993 where: bonds (distance) C4'-P energy: -141.880 bonds (distance) P-C4' energy: -145.010 flat angles C4'-P-C4' energy: -129.129 flat angles P-C4'-P energy: -77.782 tors. eta vs tors. theta energy: -46.131 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: 8 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -808.605725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.605725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.605725 (E_RNA) where: Base-Base interactions energy: -316.802 where: short stacking energy: -291.125 Base-Backbone interact. energy: 2.462 local terms energy: -494.266141 where: bonds (distance) C4'-P energy: -139.959 bonds (distance) P-C4' energy: -148.828 flat angles C4'-P-C4' energy: -114.726 flat angles P-C4'-P energy: -64.476 tors. eta vs tors. theta energy: -26.277 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: 7, replica: 7 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -832.456212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.456212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.456212 (E_RNA) where: Base-Base interactions energy: -378.662 where: short stacking energy: -282.349 Base-Backbone interact. energy: 1.772 local terms energy: -455.566950 where: bonds (distance) C4'-P energy: -128.825 bonds (distance) P-C4' energy: -121.105 flat angles C4'-P-C4' energy: -121.805 flat angles P-C4'-P energy: -60.626 tors. eta vs tors. theta energy: -23.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -678.791660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.791660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.791660 (E_RNA) where: Base-Base interactions energy: -265.425 where: short stacking energy: -214.237 Base-Backbone interact. energy: 1.984 local terms energy: -415.350586 where: bonds (distance) C4'-P energy: -115.449 bonds (distance) P-C4' energy: -135.820 flat angles C4'-P-C4' energy: -107.021 flat angles P-C4'-P energy: -55.252 tors. eta vs tors. theta energy: -1.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -603.864069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.864069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.864069 (E_RNA) where: Base-Base interactions energy: -212.338 where: short stacking energy: -205.041 Base-Backbone interact. energy: 3.213 local terms energy: -394.738772 where: bonds (distance) C4'-P energy: -115.027 bonds (distance) P-C4' energy: -128.450 flat angles C4'-P-C4' energy: -104.690 flat angles P-C4'-P energy: -63.625 tors. eta vs tors. theta energy: 17.053 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: 10, replica: 10 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -598.109453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.109453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.109453 (E_RNA) where: Base-Base interactions energy: -241.148 where: short stacking energy: -230.688 Base-Backbone interact. energy: 0.072 local terms energy: -357.034079 where: bonds (distance) C4'-P energy: -106.597 bonds (distance) P-C4' energy: -122.195 flat angles C4'-P-C4' energy: -93.011 flat angles P-C4'-P energy: -56.875 tors. eta vs tors. theta energy: 21.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 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: -1068.343303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.343303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.343303 (E_RNA) where: Base-Base interactions energy: -493.819 where: short stacking energy: -351.555 Base-Backbone interact. energy: 6.117 local terms energy: -580.641011 where: bonds (distance) C4'-P energy: -143.810 bonds (distance) P-C4' energy: -150.779 flat angles C4'-P-C4' energy: -134.371 flat angles P-C4'-P energy: -98.049 tors. eta vs tors. theta energy: -53.632 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: 5, replica: 4 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -990.148608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.148608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.148608 (E_RNA) where: Base-Base interactions energy: -418.065 where: short stacking energy: -326.700 Base-Backbone interact. energy: 2.493 local terms energy: -574.576936 where: bonds (distance) C4'-P energy: -148.543 bonds (distance) P-C4' energy: -139.409 flat angles C4'-P-C4' energy: -125.958 flat angles P-C4'-P energy: -95.608 tors. eta vs tors. theta energy: -65.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -921.875577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.875577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.875577 (E_RNA) where: Base-Base interactions energy: -434.421 where: short stacking energy: -322.378 Base-Backbone interact. energy: 2.016 local terms energy: -489.470599 where: bonds (distance) C4'-P energy: -126.198 bonds (distance) P-C4' energy: -130.817 flat angles C4'-P-C4' energy: -118.364 flat angles P-C4'-P energy: -74.478 tors. eta vs tors. theta energy: -39.614 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: 8 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -707.273221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.273221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.273221 (E_RNA) where: Base-Base interactions energy: -254.400 where: short stacking energy: -215.477 Base-Backbone interact. energy: -1.140 local terms energy: -451.733688 where: bonds (distance) C4'-P energy: -129.703 bonds (distance) P-C4' energy: -151.627 flat angles C4'-P-C4' energy: -99.806 flat angles P-C4'-P energy: -68.396 tors. eta vs tors. theta energy: -2.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -695.130423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.130423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.130423 (E_RNA) where: Base-Base interactions energy: -258.361 where: short stacking energy: -211.571 Base-Backbone interact. energy: 6.236 local terms energy: -443.005573 where: bonds (distance) C4'-P energy: -115.167 bonds (distance) P-C4' energy: -135.120 flat angles C4'-P-C4' energy: -107.700 flat angles P-C4'-P energy: -77.357 tors. eta vs tors. theta energy: -7.662 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: 9, replica: 9 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -630.864835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.864835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.864835 (E_RNA) where: Base-Base interactions energy: -218.753 where: short stacking energy: -192.133 Base-Backbone interact. energy: 3.795 local terms energy: -415.907060 where: bonds (distance) C4'-P energy: -123.576 bonds (distance) P-C4' energy: -140.158 flat angles C4'-P-C4' energy: -102.835 flat angles P-C4'-P energy: -62.694 tors. eta vs tors. theta energy: 13.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -554.041191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.041191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.041191 (E_RNA) where: Base-Base interactions energy: -181.572 where: short stacking energy: -162.097 Base-Backbone interact. energy: 1.746 local terms energy: -374.215112 where: bonds (distance) C4'-P energy: -131.184 bonds (distance) P-C4' energy: -109.028 flat angles C4'-P-C4' energy: -109.167 flat angles P-C4'-P energy: -48.154 tors. eta vs tors. theta energy: 23.319 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: 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: 5 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1219.788027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.788027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.788027 (E_RNA) where: Base-Base interactions energy: -592.628 where: short stacking energy: -429.785 Base-Backbone interact. energy: -2.741 local terms energy: -624.419114 where: bonds (distance) C4'-P energy: -143.043 bonds (distance) P-C4' energy: -159.237 flat angles C4'-P-C4' energy: -153.782 flat angles P-C4'-P energy: -86.586 tors. eta vs tors. theta energy: -81.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1056.515543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.515543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.515543 (E_RNA) where: Base-Base interactions energy: -494.408 where: short stacking energy: -373.869 Base-Backbone interact. energy: 2.720 local terms energy: -564.827700 where: bonds (distance) C4'-P energy: -130.583 bonds (distance) P-C4' energy: -144.054 flat angles C4'-P-C4' energy: -137.300 flat angles P-C4'-P energy: -71.873 tors. eta vs tors. theta energy: -81.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1106.574494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.574494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.574494 (E_RNA) where: Base-Base interactions energy: -534.564 where: short stacking energy: -374.279 Base-Backbone interact. energy: -0.330 local terms energy: -571.680592 where: bonds (distance) C4'-P energy: -131.256 bonds (distance) P-C4' energy: -139.552 flat angles C4'-P-C4' energy: -140.400 flat angles P-C4'-P energy: -82.734 tors. eta vs tors. theta energy: -77.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -913.121537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.121537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.121537 (E_RNA) where: Base-Base interactions energy: -426.617 where: short stacking energy: -321.374 Base-Backbone interact. energy: 0.494 local terms energy: -486.998259 where: bonds (distance) C4'-P energy: -121.700 bonds (distance) P-C4' energy: -144.503 flat angles C4'-P-C4' energy: -119.478 flat angles P-C4'-P energy: -66.616 tors. eta vs tors. theta energy: -34.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -790.373220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.373220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.373220 (E_RNA) where: Base-Base interactions energy: -317.678 where: short stacking energy: -266.455 Base-Backbone interact. energy: -1.507 local terms energy: -472.493611 where: bonds (distance) C4'-P energy: -128.758 bonds (distance) P-C4' energy: -132.326 flat angles C4'-P-C4' energy: -126.535 flat angles P-C4'-P energy: -77.428 tors. eta vs tors. theta energy: -7.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.306 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -710.814966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.814966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.814966 (E_RNA) where: Base-Base interactions energy: -257.412 where: short stacking energy: -222.746 Base-Backbone interact. energy: 1.907 local terms energy: -455.310411 where: bonds (distance) C4'-P energy: -116.067 bonds (distance) P-C4' energy: -135.454 flat angles C4'-P-C4' energy: -122.556 flat angles P-C4'-P energy: -73.924 tors. eta vs tors. theta energy: -7.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -603.682198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.682198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.682198 (E_RNA) where: Base-Base interactions energy: -215.963 where: short stacking energy: -192.566 Base-Backbone interact. energy: 0.494 local terms energy: -388.213006 where: bonds (distance) C4'-P energy: -112.419 bonds (distance) P-C4' energy: -124.420 flat angles C4'-P-C4' energy: -109.172 flat angles P-C4'-P energy: -59.945 tors. eta vs tors. theta energy: 17.743 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: 10, replica: 9 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -576.296080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.296080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.296080 (E_RNA) where: Base-Base interactions energy: -205.649 where: short stacking energy: -180.135 Base-Backbone interact. energy: -1.622 local terms energy: -369.024402 where: bonds (distance) C4'-P energy: -122.331 bonds (distance) P-C4' energy: -111.619 flat angles C4'-P-C4' energy: -94.185 flat angles P-C4'-P energy: -50.394 tors. eta vs tors. theta energy: 9.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 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: 5 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1321.928658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.928658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.928658 (E_RNA) where: Base-Base interactions energy: -681.629 where: short stacking energy: -496.810 Base-Backbone interact. energy: -0.202 local terms energy: -640.097714 where: bonds (distance) C4'-P energy: -142.785 bonds (distance) P-C4' energy: -132.567 flat angles C4'-P-C4' energy: -146.095 flat angles P-C4'-P energy: -101.783 tors. eta vs tors. theta energy: -116.867 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: 13 Temperature: 1.050000 Total energy: -1074.389298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.389298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.389298 (E_RNA) where: Base-Base interactions energy: -493.287 where: short stacking energy: -400.895 Base-Backbone interact. energy: -3.286 local terms energy: -577.815993 where: bonds (distance) C4'-P energy: -129.505 bonds (distance) P-C4' energy: -152.611 flat angles C4'-P-C4' energy: -137.800 flat angles P-C4'-P energy: -77.993 tors. eta vs tors. theta energy: -79.907 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: 7 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1125.757976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.757976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.757976 (E_RNA) where: Base-Base interactions energy: -554.142 where: short stacking energy: -375.580 Base-Backbone interact. energy: 0.950 local terms energy: -572.565404 where: bonds (distance) C4'-P energy: -140.726 bonds (distance) P-C4' energy: -142.696 flat angles C4'-P-C4' energy: -142.379 flat angles P-C4'-P energy: -75.689 tors. eta vs tors. theta energy: -71.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -911.076585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.076585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.076585 (E_RNA) where: Base-Base interactions energy: -416.874 where: short stacking energy: -310.676 Base-Backbone interact. energy: -0.343 local terms energy: -493.859923 where: bonds (distance) C4'-P energy: -130.739 bonds (distance) P-C4' energy: -133.648 flat angles C4'-P-C4' energy: -122.595 flat angles P-C4'-P energy: -66.508 tors. eta vs tors. theta energy: -40.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -784.433421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.433421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.433421 (E_RNA) where: Base-Base interactions energy: -336.244 where: short stacking energy: -245.175 Base-Backbone interact. energy: 5.962 local terms energy: -454.151071 where: bonds (distance) C4'-P energy: -117.987 bonds (distance) P-C4' energy: -146.065 flat angles C4'-P-C4' energy: -120.858 flat angles P-C4'-P energy: -65.855 tors. eta vs tors. theta energy: -3.387 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: 8, replica: 10 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -682.250955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.250955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.250955 (E_RNA) where: Base-Base interactions energy: -266.819 where: short stacking energy: -222.478 Base-Backbone interact. energy: -0.909 local terms energy: -414.521970 where: bonds (distance) C4'-P energy: -119.081 bonds (distance) P-C4' energy: -128.482 flat angles C4'-P-C4' energy: -120.864 flat angles P-C4'-P energy: -65.121 tors. eta vs tors. theta energy: 19.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -613.675089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.675089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.675089 (E_RNA) where: Base-Base interactions energy: -220.820 where: short stacking energy: -189.608 Base-Backbone interact. energy: -0.414 local terms energy: -392.440979 where: bonds (distance) C4'-P energy: -128.518 bonds (distance) P-C4' energy: -131.389 flat angles C4'-P-C4' energy: -91.477 flat angles P-C4'-P energy: -40.549 tors. eta vs tors. theta energy: -0.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -556.460894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.460894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.460894 (E_RNA) where: Base-Base interactions energy: -210.440 where: short stacking energy: -200.831 Base-Backbone interact. energy: 0.234 local terms energy: -346.254675 where: bonds (distance) C4'-P energy: -131.022 bonds (distance) P-C4' energy: -90.975 flat angles C4'-P-C4' energy: -101.054 flat angles P-C4'-P energy: -40.141 tors. eta vs tors. theta energy: 16.937 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: 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: -1266.404175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.404175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.404175 (E_RNA) where: Base-Base interactions energy: -652.017 where: short stacking energy: -428.987 Base-Backbone interact. energy: -0.961 local terms energy: -613.595271 where: bonds (distance) C4'-P energy: -134.769 bonds (distance) P-C4' energy: -149.919 flat angles C4'-P-C4' energy: -133.953 flat angles P-C4'-P energy: -101.267 tors. eta vs tors. theta energy: -93.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.169 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1048.514451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.514451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.514451 (E_RNA) where: Base-Base interactions energy: -475.322 where: short stacking energy: -378.553 Base-Backbone interact. energy: 3.305 local terms energy: -576.497328 where: bonds (distance) C4'-P energy: -133.406 bonds (distance) P-C4' energy: -155.195 flat angles C4'-P-C4' energy: -146.192 flat angles P-C4'-P energy: -76.366 tors. eta vs tors. theta energy: -65.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1103.881456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.881456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.881456 (E_RNA) where: Base-Base interactions energy: -538.374 where: short stacking energy: -330.752 Base-Backbone interact. energy: 0.885 local terms energy: -566.393045 where: bonds (distance) C4'-P energy: -145.724 bonds (distance) P-C4' energy: -146.355 flat angles C4'-P-C4' energy: -137.779 flat angles P-C4'-P energy: -76.263 tors. eta vs tors. theta energy: -60.273 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: 4 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -811.193491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.193491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.193491 (E_RNA) where: Base-Base interactions energy: -319.916 where: short stacking energy: -272.311 Base-Backbone interact. energy: 3.649 local terms energy: -494.927127 where: bonds (distance) C4'-P energy: -133.669 bonds (distance) P-C4' energy: -142.085 flat angles C4'-P-C4' energy: -116.834 flat angles P-C4'-P energy: -75.740 tors. eta vs tors. theta energy: -26.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -840.055350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.055350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.055350 (E_RNA) where: Base-Base interactions energy: -382.722 where: short stacking energy: -268.043 Base-Backbone interact. energy: -1.479 local terms energy: -455.854521 where: bonds (distance) C4'-P energy: -111.724 bonds (distance) P-C4' energy: -129.010 flat angles C4'-P-C4' energy: -118.415 flat angles P-C4'-P energy: -79.988 tors. eta vs tors. theta energy: -16.719 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: 10 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -692.252912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.252912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.252912 (E_RNA) where: Base-Base interactions energy: -246.385 where: short stacking energy: -212.914 Base-Backbone interact. energy: 3.647 local terms energy: -449.514657 where: bonds (distance) C4'-P energy: -104.048 bonds (distance) P-C4' energy: -140.191 flat angles C4'-P-C4' energy: -123.684 flat angles P-C4'-P energy: -77.221 tors. eta vs tors. theta energy: -4.371 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: 8 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -622.452655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.452655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.452655 (E_RNA) where: Base-Base interactions energy: -231.903 where: short stacking energy: -191.988 Base-Backbone interact. energy: 7.061 local terms energy: -397.610597 where: bonds (distance) C4'-P energy: -123.054 bonds (distance) P-C4' energy: -134.320 flat angles C4'-P-C4' energy: -101.943 flat angles P-C4'-P energy: -57.960 tors. eta vs tors. theta energy: 19.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -539.621610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.621610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.621610 (E_RNA) where: Base-Base interactions energy: -170.370 where: short stacking energy: -144.411 Base-Backbone interact. energy: -0.872 local terms energy: -368.380420 where: bonds (distance) C4'-P energy: -124.667 bonds (distance) P-C4' energy: -129.926 flat angles C4'-P-C4' energy: -102.385 flat angles P-C4'-P energy: -47.651 tors. eta vs tors. theta energy: 36.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 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: -1290.937470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.937470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.937470 (E_RNA) where: Base-Base interactions energy: -672.024 where: short stacking energy: -439.898 Base-Backbone interact. energy: -1.240 local terms energy: -617.673410 where: bonds (distance) C4'-P energy: -150.131 bonds (distance) P-C4' energy: -142.645 flat angles C4'-P-C4' energy: -147.021 flat angles P-C4'-P energy: -94.113 tors. eta vs tors. theta energy: -83.764 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: 7 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1256.093450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.093450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.093450 (E_RNA) where: Base-Base interactions energy: -636.856 where: short stacking energy: -413.308 Base-Backbone interact. energy: -1.629 local terms energy: -617.608120 where: bonds (distance) C4'-P energy: -139.457 bonds (distance) P-C4' energy: -144.906 flat angles C4'-P-C4' energy: -148.565 flat angles P-C4'-P energy: -99.062 tors. eta vs tors. theta energy: -85.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1001.917595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.917595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.917595 (E_RNA) where: Base-Base interactions energy: -464.356 where: short stacking energy: -343.474 Base-Backbone interact. energy: -4.945 local terms energy: -532.617370 where: bonds (distance) C4'-P energy: -124.388 bonds (distance) P-C4' energy: -152.269 flat angles C4'-P-C4' energy: -128.283 flat angles P-C4'-P energy: -76.085 tors. eta vs tors. theta energy: -51.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -985.628401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.628401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.628401 (E_RNA) where: Base-Base interactions energy: -469.533 where: short stacking energy: -328.213 Base-Backbone interact. energy: -0.350 local terms energy: -515.745590 where: bonds (distance) C4'-P energy: -134.829 bonds (distance) P-C4' energy: -137.754 flat angles C4'-P-C4' energy: -125.834 flat angles P-C4'-P energy: -74.260 tors. eta vs tors. theta energy: -43.068 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: 4 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -748.159237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.159237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.159237 (E_RNA) where: Base-Base interactions energy: -280.707 where: short stacking energy: -239.928 Base-Backbone interact. energy: 1.865 local terms energy: -469.317662 where: bonds (distance) C4'-P energy: -138.837 bonds (distance) P-C4' energy: -141.094 flat angles C4'-P-C4' energy: -115.949 flat angles P-C4'-P energy: -59.957 tors. eta vs tors. theta energy: -13.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -689.821134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.821134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.821134 (E_RNA) where: Base-Base interactions energy: -233.521 where: short stacking energy: -193.319 Base-Backbone interact. energy: 0.721 local terms energy: -457.021401 where: bonds (distance) C4'-P energy: -115.529 bonds (distance) P-C4' energy: -122.980 flat angles C4'-P-C4' energy: -128.915 flat angles P-C4'-P energy: -88.192 tors. eta vs tors. theta energy: -1.406 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: 8 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -672.807599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.807599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.807599 (E_RNA) where: Base-Base interactions energy: -260.556 where: short stacking energy: -183.568 Base-Backbone interact. energy: 0.002 local terms energy: -412.252908 where: bonds (distance) C4'-P energy: -118.493 bonds (distance) P-C4' energy: -144.837 flat angles C4'-P-C4' energy: -102.611 flat angles P-C4'-P energy: -59.292 tors. eta vs tors. theta energy: 12.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -590.247908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.247908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.247908 (E_RNA) where: Base-Base interactions energy: -188.199 where: short stacking energy: -164.876 Base-Backbone interact. energy: 1.881 local terms energy: -403.930096 where: bonds (distance) C4'-P energy: -135.213 bonds (distance) P-C4' energy: -142.089 flat angles C4'-P-C4' energy: -103.336 flat angles P-C4'-P energy: -46.962 tors. eta vs tors. theta energy: 23.670 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: 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: -1350.754745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.754745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.754745 (E_RNA) where: Base-Base interactions energy: -699.142 where: short stacking energy: -470.120 Base-Backbone interact. energy: 2.652 local terms energy: -654.265438 where: bonds (distance) C4'-P energy: -138.129 bonds (distance) P-C4' energy: -146.616 flat angles C4'-P-C4' energy: -149.583 flat angles P-C4'-P energy: -99.190 tors. eta vs tors. theta energy: -120.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1319.919226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.919226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.919226 (E_RNA) where: Base-Base interactions energy: -707.332 where: short stacking energy: -448.450 Base-Backbone interact. energy: -2.478 local terms energy: -610.109330 where: bonds (distance) C4'-P energy: -155.949 bonds (distance) P-C4' energy: -136.923 flat angles C4'-P-C4' energy: -129.820 flat angles P-C4'-P energy: -87.185 tors. eta vs tors. theta energy: -100.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1009.987585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.987585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.987585 (E_RNA) where: Base-Base interactions energy: -474.281 where: short stacking energy: -361.556 Base-Backbone interact. energy: 3.289 local terms energy: -538.995655 where: bonds (distance) C4'-P energy: -131.009 bonds (distance) P-C4' energy: -140.493 flat angles C4'-P-C4' energy: -104.956 flat angles P-C4'-P energy: -92.142 tors. eta vs tors. theta energy: -70.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -910.338897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.338897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.338897 (E_RNA) where: Base-Base interactions energy: -412.688 where: short stacking energy: -281.666 Base-Backbone interact. energy: -0.922 local terms energy: -496.728776 where: bonds (distance) C4'-P energy: -151.192 bonds (distance) P-C4' energy: -131.237 flat angles C4'-P-C4' energy: -130.159 flat angles P-C4'-P energy: -60.427 tors. eta vs tors. theta energy: -23.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -769.317716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.317716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.317716 (E_RNA) where: Base-Base interactions energy: -306.319 where: short stacking energy: -231.389 Base-Backbone interact. energy: -1.810 local terms energy: -461.188668 where: bonds (distance) C4'-P energy: -122.241 bonds (distance) P-C4' energy: -144.944 flat angles C4'-P-C4' energy: -128.176 flat angles P-C4'-P energy: -62.581 tors. eta vs tors. theta energy: -3.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -707.463982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.463982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.463982 (E_RNA) where: Base-Base interactions energy: -262.234 where: short stacking energy: -214.294 Base-Backbone interact. energy: -0.714 local terms energy: -444.516019 where: bonds (distance) C4'-P energy: -121.233 bonds (distance) P-C4' energy: -145.246 flat angles C4'-P-C4' energy: -106.503 flat angles P-C4'-P energy: -73.565 tors. eta vs tors. theta energy: 2.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -644.991722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.991722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.991722 (E_RNA) where: Base-Base interactions energy: -255.905 where: short stacking energy: -186.478 Base-Backbone interact. energy: 4.518 local terms energy: -393.604300 where: bonds (distance) C4'-P energy: -105.043 bonds (distance) P-C4' energy: -120.939 flat angles C4'-P-C4' energy: -118.220 flat angles P-C4'-P energy: -64.859 tors. eta vs tors. theta energy: 15.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -653.645246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.645246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.645246 (E_RNA) where: Base-Base interactions energy: -265.619 where: short stacking energy: -185.438 Base-Backbone interact. energy: -1.639 local terms energy: -386.387245 where: bonds (distance) C4'-P energy: -105.772 bonds (distance) P-C4' energy: -131.759 flat angles C4'-P-C4' energy: -109.221 flat angles P-C4'-P energy: -69.247 tors. eta vs tors. theta energy: 29.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 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: 5 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1456.711485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.711485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.711485 (E_RNA) where: Base-Base interactions energy: -788.676 where: short stacking energy: -518.683 Base-Backbone interact. energy: -1.335 local terms energy: -666.701238 where: bonds (distance) C4'-P energy: -146.015 bonds (distance) P-C4' energy: -144.741 flat angles C4'-P-C4' energy: -144.659 flat angles P-C4'-P energy: -102.542 tors. eta vs tors. theta energy: -128.745 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: 2 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1201.371887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.371887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.371887 (E_RNA) where: Base-Base interactions energy: -570.443 where: short stacking energy: -440.341 Base-Backbone interact. energy: 0.380 local terms energy: -631.308144 where: bonds (distance) C4'-P energy: -132.368 bonds (distance) P-C4' energy: -164.366 flat angles C4'-P-C4' energy: -149.429 flat angles P-C4'-P energy: -85.320 tors. eta vs tors. theta energy: -99.826 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: 7 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1279.354063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.354063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.354063 (E_RNA) where: Base-Base interactions energy: -682.256 where: short stacking energy: -436.793 Base-Backbone interact. energy: -2.114 local terms energy: -594.984825 where: bonds (distance) C4'-P energy: -127.220 bonds (distance) P-C4' energy: -155.483 flat angles C4'-P-C4' energy: -123.968 flat angles P-C4'-P energy: -87.639 tors. eta vs tors. theta energy: -100.676 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: 17 Temperature: 1.100000 Total energy: -1055.480514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.480514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.480514 (E_RNA) where: Base-Base interactions energy: -487.569 where: short stacking energy: -349.535 Base-Backbone interact. energy: -0.923 local terms energy: -566.988518 where: bonds (distance) C4'-P energy: -131.068 bonds (distance) P-C4' energy: -158.042 flat angles C4'-P-C4' energy: -140.352 flat angles P-C4'-P energy: -77.212 tors. eta vs tors. theta energy: -60.315 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: 17 Temperature: 1.150000 Total energy: -992.686970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.686970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.686970 (E_RNA) where: Base-Base interactions energy: -465.132 where: short stacking energy: -288.062 Base-Backbone interact. energy: -0.661 local terms energy: -527.125106 where: bonds (distance) C4'-P energy: -147.891 bonds (distance) P-C4' energy: -129.480 flat angles C4'-P-C4' energy: -135.097 flat angles P-C4'-P energy: -84.256 tors. eta vs tors. theta energy: -30.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.232 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -845.644919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.644919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.644919 (E_RNA) where: Base-Base interactions energy: -358.052 where: short stacking energy: -254.800 Base-Backbone interact. energy: -0.936 local terms energy: -486.657506 where: bonds (distance) C4'-P energy: -135.917 bonds (distance) P-C4' energy: -127.110 flat angles C4'-P-C4' energy: -114.804 flat angles P-C4'-P energy: -85.342 tors. eta vs tors. theta energy: -23.484 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: 8, replica: 10 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -722.861904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.861904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.861904 (E_RNA) where: Base-Base interactions energy: -271.440 where: short stacking energy: -229.445 Base-Backbone interact. energy: 3.450 local terms energy: -454.872604 where: bonds (distance) C4'-P energy: -128.550 bonds (distance) P-C4' energy: -115.883 flat angles C4'-P-C4' energy: -116.375 flat angles P-C4'-P energy: -77.067 tors. eta vs tors. theta energy: -16.997 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: 9 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -623.524196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.524196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.524196 (E_RNA) where: Base-Base interactions energy: -228.655 where: short stacking energy: -156.485 Base-Backbone interact. energy: -0.419 local terms energy: -394.450566 where: bonds (distance) C4'-P energy: -122.517 bonds (distance) P-C4' energy: -130.472 flat angles C4'-P-C4' energy: -93.254 flat angles P-C4'-P energy: -71.827 tors. eta vs tors. theta energy: 23.619 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: 10, replica: 8 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -685.438183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.438183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.438183 (E_RNA) where: Base-Base interactions energy: -296.347 where: short stacking energy: -190.282 Base-Backbone interact. energy: 1.160 local terms energy: -390.251333 where: bonds (distance) C4'-P energy: -105.074 bonds (distance) P-C4' energy: -131.513 flat angles C4'-P-C4' energy: -107.773 flat angles P-C4'-P energy: -51.505 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: 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: 5 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1477.766378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.766378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.766378 (E_RNA) where: Base-Base interactions energy: -813.535 where: short stacking energy: -541.343 Base-Backbone interact. energy: -0.680 local terms energy: -663.550982 where: bonds (distance) C4'-P energy: -125.353 bonds (distance) P-C4' energy: -138.212 flat angles C4'-P-C4' energy: -156.079 flat angles P-C4'-P energy: -111.490 tors. eta vs tors. theta energy: -132.418 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: 3, replica: 7 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1382.159573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.159573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.159573 (E_RNA) where: Base-Base interactions energy: -746.555 where: short stacking energy: -496.405 Base-Backbone interact. energy: 0.600 local terms energy: -636.205361 where: bonds (distance) C4'-P energy: -131.297 bonds (distance) P-C4' energy: -142.399 flat angles C4'-P-C4' energy: -156.542 flat angles P-C4'-P energy: -90.514 tors. eta vs tors. theta energy: -115.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1106.818808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.818808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.818808 (E_RNA) where: Base-Base interactions energy: -526.871 where: short stacking energy: -391.510 Base-Backbone interact. energy: -0.253 local terms energy: -579.694632 where: bonds (distance) C4'-P energy: -127.746 bonds (distance) P-C4' energy: -145.418 flat angles C4'-P-C4' energy: -144.621 flat angles P-C4'-P energy: -87.769 tors. eta vs tors. theta energy: -74.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1120.705588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.705588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.705588 (E_RNA) where: Base-Base interactions energy: -566.022 where: short stacking energy: -359.374 Base-Backbone interact. energy: -2.015 local terms energy: -552.667821 where: bonds (distance) C4'-P energy: -125.941 bonds (distance) P-C4' energy: -143.537 flat angles C4'-P-C4' energy: -142.242 flat angles P-C4'-P energy: -76.107 tors. eta vs tors. theta energy: -64.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1055.578898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.578898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.578898 (E_RNA) where: Base-Base interactions energy: -539.523 where: short stacking energy: -327.365 Base-Backbone interact. energy: -1.751 local terms energy: -514.304694 where: bonds (distance) C4'-P energy: -138.139 bonds (distance) P-C4' energy: -129.849 flat angles C4'-P-C4' energy: -124.894 flat angles P-C4'-P energy: -84.088 tors. eta vs tors. theta energy: -37.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -861.624740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.624740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.624740 (E_RNA) where: Base-Base interactions energy: -391.062 where: short stacking energy: -273.686 Base-Backbone interact. energy: 3.183 local terms energy: -473.746112 where: bonds (distance) C4'-P energy: -109.152 bonds (distance) P-C4' energy: -135.785 flat angles C4'-P-C4' energy: -128.384 flat angles P-C4'-P energy: -79.642 tors. eta vs tors. theta energy: -20.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -708.240847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.240847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.240847 (E_RNA) where: Base-Base interactions energy: -267.602 where: short stacking energy: -228.835 Base-Backbone interact. energy: -1.104 local terms energy: -439.534978 where: bonds (distance) C4'-P energy: -107.480 bonds (distance) P-C4' energy: -144.860 flat angles C4'-P-C4' energy: -116.556 flat angles P-C4'-P energy: -58.567 tors. eta vs tors. theta energy: -12.072 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: 8 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -687.797913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.797913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.797913 (E_RNA) where: Base-Base interactions energy: -298.275 where: short stacking energy: -218.847 Base-Backbone interact. energy: 0.349 local terms energy: -389.871957 where: bonds (distance) C4'-P energy: -114.411 bonds (distance) P-C4' energy: -116.505 flat angles C4'-P-C4' energy: -115.414 flat angles P-C4'-P energy: -65.730 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: 10, replica: 9 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -543.142677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.142677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.142677 (E_RNA) where: Base-Base interactions energy: -172.494 where: short stacking energy: -128.404 Base-Backbone interact. energy: -0.954 local terms energy: -369.695545 where: bonds (distance) C4'-P energy: -126.886 bonds (distance) P-C4' energy: -133.810 flat angles C4'-P-C4' energy: -90.209 flat angles P-C4'-P energy: -43.336 tors. eta vs tors. theta energy: 24.545 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: 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: -1519.546756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.546756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.546756 (E_RNA) where: Base-Base interactions energy: -828.633 where: short stacking energy: -557.816 Base-Backbone interact. energy: 2.537 local terms energy: -693.450075 where: bonds (distance) C4'-P energy: -127.773 bonds (distance) P-C4' energy: -152.028 flat angles C4'-P-C4' energy: -155.705 flat angles P-C4'-P energy: -105.724 tors. eta vs tors. theta energy: -152.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1364.454708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.454708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.454708 (E_RNA) where: Base-Base interactions energy: -759.254 where: short stacking energy: -478.884 Base-Backbone interact. energy: -1.124 local terms energy: -604.076960 where: bonds (distance) C4'-P energy: -136.203 bonds (distance) P-C4' energy: -145.206 flat angles C4'-P-C4' energy: -138.860 flat angles P-C4'-P energy: -85.828 tors. eta vs tors. theta energy: -97.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1093.913041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.913041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.913041 (E_RNA) where: Base-Base interactions energy: -500.588 where: short stacking energy: -388.872 Base-Backbone interact. energy: 0.706 local terms energy: -594.031554 where: bonds (distance) C4'-P energy: -140.356 bonds (distance) P-C4' energy: -130.427 flat angles C4'-P-C4' energy: -145.817 flat angles P-C4'-P energy: -90.641 tors. eta vs tors. theta energy: -86.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1112.855328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.855328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.855328 (E_RNA) where: Base-Base interactions energy: -552.099 where: short stacking energy: -371.639 Base-Backbone interact. energy: -2.366 local terms energy: -558.391076 where: bonds (distance) C4'-P energy: -130.089 bonds (distance) P-C4' energy: -140.558 flat angles C4'-P-C4' energy: -131.183 flat angles P-C4'-P energy: -84.886 tors. eta vs tors. theta energy: -71.675 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: 19 Temperature: 1.150000 Total energy: -1023.871836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.871836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.871836 (E_RNA) where: Base-Base interactions energy: -525.152 where: short stacking energy: -326.764 Base-Backbone interact. energy: -0.368 local terms energy: -498.351785 where: bonds (distance) C4'-P energy: -128.004 bonds (distance) P-C4' energy: -137.623 flat angles C4'-P-C4' energy: -118.046 flat angles P-C4'-P energy: -75.438 tors. eta vs tors. theta energy: -39.240 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: 4 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -890.327522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.327522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.327522 (E_RNA) where: Base-Base interactions energy: -430.710 where: short stacking energy: -292.762 Base-Backbone interact. energy: 3.064 local terms energy: -462.681802 where: bonds (distance) C4'-P energy: -116.537 bonds (distance) P-C4' energy: -119.631 flat angles C4'-P-C4' energy: -114.124 flat angles P-C4'-P energy: -81.769 tors. eta vs tors. theta energy: -30.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -756.094460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.094460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.094460 (E_RNA) where: Base-Base interactions energy: -310.034 where: short stacking energy: -232.597 Base-Backbone interact. energy: 1.508 local terms energy: -447.568006 where: bonds (distance) C4'-P energy: -131.460 bonds (distance) P-C4' energy: -137.690 flat angles C4'-P-C4' energy: -108.107 flat angles P-C4'-P energy: -59.013 tors. eta vs tors. theta energy: -11.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -641.327831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.327831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.327831 (E_RNA) where: Base-Base interactions energy: -232.569 where: short stacking energy: -220.871 Base-Backbone interact. energy: 3.382 local terms energy: -412.140897 where: bonds (distance) C4'-P energy: -117.383 bonds (distance) P-C4' energy: -116.972 flat angles C4'-P-C4' energy: -113.782 flat angles P-C4'-P energy: -67.444 tors. eta vs tors. theta energy: 3.440 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: 9 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -568.726797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.726797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.726797 (E_RNA) where: Base-Base interactions energy: -209.923 where: short stacking energy: -179.270 Base-Backbone interact. energy: 8.963 local terms energy: -367.766047 where: bonds (distance) C4'-P energy: -111.763 bonds (distance) P-C4' energy: -130.709 flat angles C4'-P-C4' energy: -77.390 flat angles P-C4'-P energy: -63.196 tors. eta vs tors. theta energy: 15.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 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: -1526.534000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.534000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.534000 (E_RNA) where: Base-Base interactions energy: -868.561 where: short stacking energy: -545.618 Base-Backbone interact. energy: -0.988 local terms energy: -656.984757 where: bonds (distance) C4'-P energy: -135.257 bonds (distance) P-C4' energy: -160.042 flat angles C4'-P-C4' energy: -152.621 flat angles P-C4'-P energy: -82.588 tors. eta vs tors. theta energy: -126.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1424.434755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.434755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.434755 (E_RNA) where: Base-Base interactions energy: -776.750 where: short stacking energy: -494.339 Base-Backbone interact. energy: -1.369 local terms energy: -646.315727 where: bonds (distance) C4'-P energy: -140.917 bonds (distance) P-C4' energy: -143.840 flat angles C4'-P-C4' energy: -145.587 flat angles P-C4'-P energy: -93.683 tors. eta vs tors. theta energy: -122.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1110.037111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.037111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.037111 (E_RNA) where: Base-Base interactions energy: -525.259 where: short stacking energy: -376.954 Base-Backbone interact. energy: 2.940 local terms energy: -587.718174 where: bonds (distance) C4'-P energy: -136.325 bonds (distance) P-C4' energy: -146.035 flat angles C4'-P-C4' energy: -149.574 flat angles P-C4'-P energy: -73.161 tors. eta vs tors. theta energy: -82.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1115.002967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.002967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.002967 (E_RNA) where: Base-Base interactions energy: -568.463 where: short stacking energy: -357.823 Base-Backbone interact. energy: -1.795 local terms energy: -544.744876 where: bonds (distance) C4'-P energy: -133.063 bonds (distance) P-C4' energy: -126.358 flat angles C4'-P-C4' energy: -124.083 flat angles P-C4'-P energy: -81.156 tors. eta vs tors. theta energy: -80.085 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: 6 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1034.050558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.050558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.050558 (E_RNA) where: Base-Base interactions energy: -523.278 where: short stacking energy: -318.365 Base-Backbone interact. energy: 0.137 local terms energy: -510.909553 where: bonds (distance) C4'-P energy: -131.247 bonds (distance) P-C4' energy: -118.101 flat angles C4'-P-C4' energy: -129.264 flat angles P-C4'-P energy: -81.111 tors. eta vs tors. theta energy: -51.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -985.609652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.609652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.609652 (E_RNA) where: Base-Base interactions energy: -454.557 where: short stacking energy: -294.070 Base-Backbone interact. energy: -2.546 local terms energy: -528.506936 where: bonds (distance) C4'-P energy: -144.213 bonds (distance) P-C4' energy: -140.131 flat angles C4'-P-C4' energy: -131.682 flat angles P-C4'-P energy: -81.103 tors. eta vs tors. theta energy: -31.378 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: 8 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -764.384552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.384552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.384552 (E_RNA) where: Base-Base interactions energy: -357.031 where: short stacking energy: -256.455 Base-Backbone interact. energy: 5.849 local terms energy: -413.203158 where: bonds (distance) C4'-P energy: -95.783 bonds (distance) P-C4' energy: -120.225 flat angles C4'-P-C4' energy: -121.800 flat angles P-C4'-P energy: -80.878 tors. eta vs tors. theta energy: 5.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -597.435167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.435167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.435167 (E_RNA) where: Base-Base interactions energy: -195.832 where: short stacking energy: -143.389 Base-Backbone interact. energy: -1.169 local terms energy: -400.433906 where: bonds (distance) C4'-P energy: -105.796 bonds (distance) P-C4' energy: -132.085 flat angles C4'-P-C4' energy: -104.634 flat angles P-C4'-P energy: -72.694 tors. eta vs tors. theta energy: 14.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -566.576135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.576135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.576135 (E_RNA) where: Base-Base interactions energy: -178.001 where: short stacking energy: -153.562 Base-Backbone interact. energy: -1.571 local terms energy: -387.004000 where: bonds (distance) C4'-P energy: -119.629 bonds (distance) P-C4' energy: -134.915 flat angles C4'-P-C4' energy: -111.687 flat angles P-C4'-P energy: -55.614 tors. eta vs tors. theta energy: 34.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 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: -1497.435295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.435295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.435295 (E_RNA) where: Base-Base interactions energy: -817.468 where: short stacking energy: -482.270 Base-Backbone interact. energy: 0.861 local terms energy: -680.828614 where: bonds (distance) C4'-P energy: -146.311 bonds (distance) P-C4' energy: -155.672 flat angles C4'-P-C4' energy: -162.551 flat angles P-C4'-P energy: -103.086 tors. eta vs tors. theta energy: -113.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1455.385056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.385056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.385056 (E_RNA) where: Base-Base interactions energy: -804.171 where: short stacking energy: -482.730 Base-Backbone interact. energy: -1.421 local terms energy: -649.793295 where: bonds (distance) C4'-P energy: -144.398 bonds (distance) P-C4' energy: -148.736 flat angles C4'-P-C4' energy: -151.048 flat angles P-C4'-P energy: -88.395 tors. eta vs tors. theta energy: -117.215 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: 2 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1097.887811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.887811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.887811 (E_RNA) where: Base-Base interactions energy: -556.218 where: short stacking energy: -369.304 Base-Backbone interact. energy: -2.373 local terms energy: -539.296933 where: bonds (distance) C4'-P energy: -123.646 bonds (distance) P-C4' energy: -138.695 flat angles C4'-P-C4' energy: -125.748 flat angles P-C4'-P energy: -91.565 tors. eta vs tors. theta energy: -59.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1188.594533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.594533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.594533 (E_RNA) where: Base-Base interactions energy: -637.707 where: short stacking energy: -372.924 Base-Backbone interact. energy: -0.696 local terms energy: -550.191623 where: bonds (distance) C4'-P energy: -142.317 bonds (distance) P-C4' energy: -132.230 flat angles C4'-P-C4' energy: -138.220 flat angles P-C4'-P energy: -80.252 tors. eta vs tors. theta energy: -57.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1096.639680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.639680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.639680 (E_RNA) where: Base-Base interactions energy: -572.818 where: short stacking energy: -302.816 Base-Backbone interact. energy: 0.506 local terms energy: -524.327157 where: bonds (distance) C4'-P energy: -134.493 bonds (distance) P-C4' energy: -150.019 flat angles C4'-P-C4' energy: -125.136 flat angles P-C4'-P energy: -71.872 tors. eta vs tors. theta energy: -42.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -930.064167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.064167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.064167 (E_RNA) where: Base-Base interactions energy: -484.217 where: short stacking energy: -299.350 Base-Backbone interact. energy: -0.708 local terms energy: -445.139361 where: bonds (distance) C4'-P energy: -119.908 bonds (distance) P-C4' energy: -120.128 flat angles C4'-P-C4' energy: -95.787 flat angles P-C4'-P energy: -76.290 tors. eta vs tors. theta energy: -33.027 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: 9 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -689.586026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.586026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.586026 (E_RNA) where: Base-Base interactions energy: -269.801 where: short stacking energy: -217.918 Base-Backbone interact. energy: -2.166 local terms energy: -417.618997 where: bonds (distance) C4'-P energy: -115.623 bonds (distance) P-C4' energy: -113.868 flat angles C4'-P-C4' energy: -126.812 flat angles P-C4'-P energy: -49.468 tors. eta vs tors. theta energy: -11.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -754.247870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.247870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.247870 (E_RNA) where: Base-Base interactions energy: -334.532 where: short stacking energy: -210.010 Base-Backbone interact. energy: 4.107 local terms energy: -423.823102 where: bonds (distance) C4'-P energy: -128.705 bonds (distance) P-C4' energy: -114.294 flat angles C4'-P-C4' energy: -105.964 flat angles P-C4'-P energy: -78.741 tors. eta vs tors. theta energy: 3.880 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: 10 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -563.500218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.500218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.500218 (E_RNA) where: Base-Base interactions energy: -198.215 where: short stacking energy: -176.236 Base-Backbone interact. energy: -1.103 local terms energy: -364.182905 where: bonds (distance) C4'-P energy: -133.020 bonds (distance) P-C4' energy: -120.091 flat angles C4'-P-C4' energy: -82.322 flat angles P-C4'-P energy: -48.745 tors. eta vs tors. theta energy: 19.995 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: 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: -1538.483010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.483010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.483010 (E_RNA) where: Base-Base interactions energy: -864.995 where: short stacking energy: -557.122 Base-Backbone interact. energy: 2.786 local terms energy: -676.274378 where: bonds (distance) C4'-P energy: -140.373 bonds (distance) P-C4' energy: -147.878 flat angles C4'-P-C4' energy: -136.931 flat angles P-C4'-P energy: -115.710 tors. eta vs tors. theta energy: -135.384 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: 3, replica: 7 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1532.637024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.637024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.637024 (E_RNA) where: Base-Base interactions energy: -895.059 where: short stacking energy: -516.928 Base-Backbone interact. energy: -1.164 local terms energy: -636.414775 where: bonds (distance) C4'-P energy: -136.348 bonds (distance) P-C4' energy: -133.962 flat angles C4'-P-C4' energy: -147.627 flat angles P-C4'-P energy: -93.941 tors. eta vs tors. theta energy: -124.537 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: 2 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1169.972263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.972263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.972263 (E_RNA) where: Base-Base interactions energy: -588.665 where: short stacking energy: -397.531 Base-Backbone interact. energy: -3.817 local terms energy: -577.490179 where: bonds (distance) C4'-P energy: -119.527 bonds (distance) P-C4' energy: -159.295 flat angles C4'-P-C4' energy: -133.196 flat angles P-C4'-P energy: -76.717 tors. eta vs tors. theta energy: -88.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1268.829515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.829515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.829515 (E_RNA) where: Base-Base interactions energy: -709.237 where: short stacking energy: -388.211 Base-Backbone interact. energy: -1.451 local terms energy: -558.141700 where: bonds (distance) C4'-P energy: -129.313 bonds (distance) P-C4' energy: -137.394 flat angles C4'-P-C4' energy: -137.646 flat angles P-C4'-P energy: -84.624 tors. eta vs tors. theta energy: -69.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1224.148345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.148345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.148345 (E_RNA) where: Base-Base interactions energy: -731.360 where: short stacking energy: -383.086 Base-Backbone interact. energy: -2.274 local terms energy: -490.514282 where: bonds (distance) C4'-P energy: -121.726 bonds (distance) P-C4' energy: -137.908 flat angles C4'-P-C4' energy: -117.465 flat angles P-C4'-P energy: -40.789 tors. eta vs tors. theta energy: -72.626 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: 4 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -958.238949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.238949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.238949 (E_RNA) where: Base-Base interactions energy: -489.328 where: short stacking energy: -332.915 Base-Backbone interact. energy: 1.582 local terms energy: -470.493636 where: bonds (distance) C4'-P energy: -114.263 bonds (distance) P-C4' energy: -135.719 flat angles C4'-P-C4' energy: -119.974 flat angles P-C4'-P energy: -61.610 tors. eta vs tors. theta energy: -38.927 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: 9 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -713.169833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.169833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.169833 (E_RNA) where: Base-Base interactions energy: -283.122 where: short stacking energy: -195.687 Base-Backbone interact. energy: 2.905 local terms energy: -432.953090 where: bonds (distance) C4'-P energy: -121.430 bonds (distance) P-C4' energy: -147.166 flat angles C4'-P-C4' energy: -118.367 flat angles P-C4'-P energy: -68.674 tors. eta vs tors. theta energy: 22.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -689.318443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.318443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.318443 (E_RNA) where: Base-Base interactions energy: -294.542 where: short stacking energy: -207.495 Base-Backbone interact. energy: 0.991 local terms energy: -395.767610 where: bonds (distance) C4'-P energy: -109.166 bonds (distance) P-C4' energy: -125.436 flat angles C4'-P-C4' energy: -108.411 flat angles P-C4'-P energy: -61.706 tors. eta vs tors. theta energy: 8.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -554.706686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.706686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.706686 (E_RNA) where: Base-Base interactions energy: -190.408 where: short stacking energy: -143.443 Base-Backbone interact. energy: 2.356 local terms energy: -366.655036 where: bonds (distance) C4'-P energy: -136.122 bonds (distance) P-C4' energy: -115.304 flat angles C4'-P-C4' energy: -103.632 flat angles P-C4'-P energy: -50.105 tors. eta vs tors. theta energy: 38.508 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: 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: -1562.959334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.959334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.959334 (E_RNA) where: Base-Base interactions energy: -860.172 where: short stacking energy: -548.022 Base-Backbone interact. energy: -0.026 local terms energy: -702.760822 where: bonds (distance) C4'-P energy: -149.568 bonds (distance) P-C4' energy: -147.303 flat angles C4'-P-C4' energy: -160.750 flat angles P-C4'-P energy: -113.334 tors. eta vs tors. theta energy: -131.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1548.040091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.040091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.040091 (E_RNA) where: Base-Base interactions energy: -905.941 where: short stacking energy: -520.856 Base-Backbone interact. energy: 2.181 local terms energy: -644.280023 where: bonds (distance) C4'-P energy: -139.578 bonds (distance) P-C4' energy: -142.609 flat angles C4'-P-C4' energy: -145.640 flat angles P-C4'-P energy: -105.774 tors. eta vs tors. theta energy: -110.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1372.748682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.748682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.748682 (E_RNA) where: Base-Base interactions energy: -795.318 where: short stacking energy: -425.857 Base-Backbone interact. energy: -1.585 local terms energy: -575.846566 where: bonds (distance) C4'-P energy: -135.114 bonds (distance) P-C4' energy: -142.171 flat angles C4'-P-C4' energy: -133.983 flat angles P-C4'-P energy: -72.436 tors. eta vs tors. theta energy: -92.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1112.311827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.311827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.311827 (E_RNA) where: Base-Base interactions energy: -562.576 where: short stacking energy: -342.267 Base-Backbone interact. energy: -2.121 local terms energy: -547.614584 where: bonds (distance) C4'-P energy: -127.481 bonds (distance) P-C4' energy: -142.860 flat angles C4'-P-C4' energy: -113.648 flat angles P-C4'-P energy: -85.325 tors. eta vs tors. theta energy: -78.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1296.318205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.318205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.318205 (E_RNA) where: Base-Base interactions energy: -774.786 where: short stacking energy: -398.588 Base-Backbone interact. energy: -0.595 local terms energy: -520.936725 where: bonds (distance) C4'-P energy: -112.914 bonds (distance) P-C4' energy: -135.867 flat angles C4'-P-C4' energy: -131.547 flat angles P-C4'-P energy: -80.912 tors. eta vs tors. theta energy: -59.696 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: 4 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -945.641579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.641579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.641579 (E_RNA) where: Base-Base interactions energy: -492.723 where: short stacking energy: -261.310 Base-Backbone interact. energy: -0.022 local terms energy: -452.896314 where: bonds (distance) C4'-P energy: -123.315 bonds (distance) P-C4' energy: -137.496 flat angles C4'-P-C4' energy: -109.013 flat angles P-C4'-P energy: -72.835 tors. eta vs tors. theta energy: -10.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -802.825157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.825157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.825157 (E_RNA) where: Base-Base interactions energy: -371.605 where: short stacking energy: -272.903 Base-Backbone interact. energy: 5.469 local terms energy: -436.689026 where: bonds (distance) C4'-P energy: -127.492 bonds (distance) P-C4' energy: -136.209 flat angles C4'-P-C4' energy: -120.069 flat angles P-C4'-P energy: -42.804 tors. eta vs tors. theta energy: -10.114 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: 9 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -632.554295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.554295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.554295 (E_RNA) where: Base-Base interactions energy: -254.844 where: short stacking energy: -195.012 Base-Backbone interact. energy: 3.210 local terms energy: -380.920591 where: bonds (distance) C4'-P energy: -130.134 bonds (distance) P-C4' energy: -134.435 flat angles C4'-P-C4' energy: -69.298 flat angles P-C4'-P energy: -63.603 tors. eta vs tors. theta energy: 16.550 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: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -582.852113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.852113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.852113 (E_RNA) where: Base-Base interactions energy: -222.758 where: short stacking energy: -176.726 Base-Backbone interact. energy: -3.290 local terms energy: -356.804593 where: bonds (distance) C4'-P energy: -87.095 bonds (distance) P-C4' energy: -131.586 flat angles C4'-P-C4' energy: -106.784 flat angles P-C4'-P energy: -59.925 tors. eta vs tors. theta energy: 28.585 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: 24 Temperature: 0.900000 Total energy: -1709.603885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.603885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.603885 (E_RNA) where: Base-Base interactions energy: -960.861 where: short stacking energy: -651.632 Base-Backbone interact. energy: -0.349 local terms energy: -748.393938 where: bonds (distance) C4'-P energy: -156.260 bonds (distance) P-C4' energy: -159.888 flat angles C4'-P-C4' energy: -160.661 flat angles P-C4'-P energy: -99.307 tors. eta vs tors. theta energy: -172.278 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: 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: 7 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1537.830782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.830782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.830782 (E_RNA) where: Base-Base interactions energy: -915.463 where: short stacking energy: -483.234 Base-Backbone interact. energy: -3.783 local terms energy: -618.585143 where: bonds (distance) C4'-P energy: -132.880 bonds (distance) P-C4' energy: -144.563 flat angles C4'-P-C4' energy: -148.405 flat angles P-C4'-P energy: -86.302 tors. eta vs tors. theta energy: -106.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1458.019375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.019375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.019375 (E_RNA) where: Base-Base interactions energy: -849.661 where: short stacking energy: -499.151 Base-Backbone interact. energy: -1.571 local terms energy: -606.787412 where: bonds (distance) C4'-P energy: -129.272 bonds (distance) P-C4' energy: -144.677 flat angles C4'-P-C4' energy: -135.978 flat angles P-C4'-P energy: -80.500 tors. eta vs tors. theta energy: -116.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1389.135513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.135513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.135513 (E_RNA) where: Base-Base interactions energy: -824.099 where: short stacking energy: -434.409 Base-Backbone interact. energy: -2.492 local terms energy: -562.544103 where: bonds (distance) C4'-P energy: -137.678 bonds (distance) P-C4' energy: -138.204 flat angles C4'-P-C4' energy: -120.983 flat angles P-C4'-P energy: -75.307 tors. eta vs tors. theta energy: -90.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -965.914639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.914639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.914639 (E_RNA) where: Base-Base interactions energy: -472.979 where: short stacking energy: -317.789 Base-Backbone interact. energy: 2.699 local terms energy: -495.634040 where: bonds (distance) C4'-P energy: -140.605 bonds (distance) P-C4' energy: -132.244 flat angles C4'-P-C4' energy: -106.184 flat angles P-C4'-P energy: -79.621 tors. eta vs tors. theta energy: -36.980 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: 4 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1017.940147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.940147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.940147 (E_RNA) where: Base-Base interactions energy: -517.919 where: short stacking energy: -287.841 Base-Backbone interact. energy: -2.294 local terms energy: -497.727075 where: bonds (distance) C4'-P energy: -126.677 bonds (distance) P-C4' energy: -129.919 flat angles C4'-P-C4' energy: -133.919 flat angles P-C4'-P energy: -90.004 tors. eta vs tors. theta energy: -17.208 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: 8, replica: 8 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -854.750719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.750719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.750719 (E_RNA) where: Base-Base interactions energy: -420.452 where: short stacking energy: -285.338 Base-Backbone interact. energy: -2.479 local terms energy: -431.819827 where: bonds (distance) C4'-P energy: -123.125 bonds (distance) P-C4' energy: -129.488 flat angles C4'-P-C4' energy: -103.566 flat angles P-C4'-P energy: -55.728 tors. eta vs tors. theta energy: -19.913 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: 9, replica: 9 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -729.820158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.820158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.820158 (E_RNA) where: Base-Base interactions energy: -288.236 where: short stacking energy: -190.709 Base-Backbone interact. energy: 2.303 local terms energy: -443.887502 where: bonds (distance) C4'-P energy: -117.918 bonds (distance) P-C4' energy: -134.519 flat angles C4'-P-C4' energy: -115.790 flat angles P-C4'-P energy: -80.147 tors. eta vs tors. theta energy: 4.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -579.428821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.428821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.428821 (E_RNA) where: Base-Base interactions energy: -212.893 where: short stacking energy: -149.670 Base-Backbone interact. energy: -2.729 local terms energy: -363.807367 where: bonds (distance) C4'-P energy: -108.406 bonds (distance) P-C4' energy: -136.082 flat angles C4'-P-C4' energy: -104.595 flat angles P-C4'-P energy: -51.460 tors. eta vs tors. theta energy: 36.736 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: 25 Temperature: 0.900000 Total energy: -1736.722671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.722671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.722671 (E_RNA) where: Base-Base interactions energy: -996.838 where: short stacking energy: -624.942 Base-Backbone interact. energy: -0.670 local terms energy: -739.214127 where: bonds (distance) C4'-P energy: -135.706 bonds (distance) P-C4' energy: -168.429 flat angles C4'-P-C4' energy: -157.629 flat angles P-C4'-P energy: -108.729 tors. eta vs tors. theta energy: -168.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1565.209084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.209084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.209084 (E_RNA) where: Base-Base interactions energy: -890.103 where: short stacking energy: -502.020 Base-Backbone interact. energy: -4.477 local terms energy: -670.629620 where: bonds (distance) C4'-P energy: -144.553 bonds (distance) P-C4' energy: -152.359 flat angles C4'-P-C4' energy: -144.462 flat angles P-C4'-P energy: -93.891 tors. eta vs tors. theta energy: -135.365 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: 7 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1596.950673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.950673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.950673 (E_RNA) where: Base-Base interactions energy: -951.703 where: short stacking energy: -530.590 Base-Backbone interact. energy: -3.137 local terms energy: -642.111012 where: bonds (distance) C4'-P energy: -133.363 bonds (distance) P-C4' energy: -125.862 flat angles C4'-P-C4' energy: -147.054 flat angles P-C4'-P energy: -94.307 tors. eta vs tors. theta energy: -141.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1513.250580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.250580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.250580 (E_RNA) where: Base-Base interactions energy: -901.331 where: short stacking energy: -477.764 Base-Backbone interact. energy: -2.832 local terms energy: -609.086839 where: bonds (distance) C4'-P energy: -128.680 bonds (distance) P-C4' energy: -145.221 flat angles C4'-P-C4' energy: -132.027 flat angles P-C4'-P energy: -101.869 tors. eta vs tors. theta energy: -101.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1367.416677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.416677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.416677 (E_RNA) where: Base-Base interactions energy: -785.662 where: short stacking energy: -441.823 Base-Backbone interact. energy: 0.568 local terms energy: -582.322445 where: bonds (distance) C4'-P energy: -134.292 bonds (distance) P-C4' energy: -137.219 flat angles C4'-P-C4' energy: -140.133 flat angles P-C4'-P energy: -67.369 tors. eta vs tors. theta energy: -103.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1106.825982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.825982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.825982 (E_RNA) where: Base-Base interactions energy: -581.892 where: short stacking energy: -335.303 Base-Backbone interact. energy: 0.062 local terms energy: -524.996786 where: bonds (distance) C4'-P energy: -136.582 bonds (distance) P-C4' energy: -138.493 flat angles C4'-P-C4' energy: -117.866 flat angles P-C4'-P energy: -81.750 tors. eta vs tors. theta energy: -50.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -853.814944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.814944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.814944 (E_RNA) where: Base-Base interactions energy: -400.521 where: short stacking energy: -247.447 Base-Backbone interact. energy: 2.528 local terms energy: -455.821944 where: bonds (distance) C4'-P energy: -140.428 bonds (distance) P-C4' energy: -123.738 flat angles C4'-P-C4' energy: -105.484 flat angles P-C4'-P energy: -72.608 tors. eta vs tors. theta energy: -13.564 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: 8 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -838.758365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.758365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.758365 (E_RNA) where: Base-Base interactions energy: -382.573 where: short stacking energy: -249.404 Base-Backbone interact. energy: -2.563 local terms energy: -453.622329 where: bonds (distance) C4'-P energy: -118.198 bonds (distance) P-C4' energy: -126.654 flat angles C4'-P-C4' energy: -121.577 flat angles P-C4'-P energy: -70.470 tors. eta vs tors. theta energy: -16.723 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: 9 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -660.689841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.689841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.689841 (E_RNA) where: Base-Base interactions energy: -274.434 where: short stacking energy: -197.404 Base-Backbone interact. energy: 2.663 local terms energy: -388.918583 where: bonds (distance) C4'-P energy: -115.216 bonds (distance) P-C4' energy: -105.513 flat angles C4'-P-C4' energy: -105.818 flat angles P-C4'-P energy: -68.169 tors. eta vs tors. theta energy: 5.796 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: 10 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -567.283861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.283861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.283861 (E_RNA) where: Base-Base interactions energy: -191.122 where: short stacking energy: -127.458 Base-Backbone interact. energy: 4.012 local terms energy: -380.173787 where: bonds (distance) C4'-P energy: -127.665 bonds (distance) P-C4' energy: -136.137 flat angles C4'-P-C4' energy: -96.400 flat angles P-C4'-P energy: -38.815 tors. eta vs tors. theta energy: 18.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1753.267231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.267231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.267231 (E_RNA) where: Base-Base interactions energy: -1025.287 where: short stacking energy: -611.436 Base-Backbone interact. energy: -3.729 local terms energy: -724.251136 where: bonds (distance) C4'-P energy: -145.073 bonds (distance) P-C4' energy: -144.623 flat angles C4'-P-C4' energy: -148.963 flat angles P-C4'-P energy: -105.721 tors. eta vs tors. theta energy: -179.872 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: 1 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1542.383349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.383349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.383349 (E_RNA) where: Base-Base interactions energy: -890.487 where: short stacking energy: -509.240 Base-Backbone interact. energy: -1.017 local terms energy: -650.878867 where: bonds (distance) C4'-P energy: -150.600 bonds (distance) P-C4' energy: -138.127 flat angles C4'-P-C4' energy: -146.210 flat angles P-C4'-P energy: -95.234 tors. eta vs tors. theta energy: -120.707 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: 7 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1591.287938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.287938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.287938 (E_RNA) where: Base-Base interactions energy: -959.695 where: short stacking energy: -539.117 Base-Backbone interact. energy: 1.523 local terms energy: -633.115419 where: bonds (distance) C4'-P energy: -132.446 bonds (distance) P-C4' energy: -148.584 flat angles C4'-P-C4' energy: -149.113 flat angles P-C4'-P energy: -82.979 tors. eta vs tors. theta energy: -119.993 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: 4, replica: 3 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1590.288138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.288138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.288138 (E_RNA) where: Base-Base interactions energy: -982.487 where: short stacking energy: -494.166 Base-Backbone interact. energy: 2.691 local terms energy: -610.492349 where: bonds (distance) C4'-P energy: -137.479 bonds (distance) P-C4' energy: -143.560 flat angles C4'-P-C4' energy: -141.549 flat angles P-C4'-P energy: -82.315 tors. eta vs tors. theta energy: -105.589 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: 6 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1374.819270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.819270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.819270 (E_RNA) where: Base-Base interactions energy: -834.479 where: short stacking energy: -437.488 Base-Backbone interact. energy: 1.582 local terms energy: -541.922232 where: bonds (distance) C4'-P energy: -116.654 bonds (distance) P-C4' energy: -141.379 flat angles C4'-P-C4' energy: -131.662 flat angles P-C4'-P energy: -77.402 tors. eta vs tors. theta energy: -74.824 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: 4 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1100.922958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.922958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.922958 (E_RNA) where: Base-Base interactions energy: -597.305 where: short stacking energy: -355.268 Base-Backbone interact. energy: -0.461 local terms energy: -503.742924 where: bonds (distance) C4'-P energy: -106.400 bonds (distance) P-C4' energy: -134.411 flat angles C4'-P-C4' energy: -131.849 flat angles P-C4'-P energy: -70.241 tors. eta vs tors. theta energy: -60.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.586 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -869.965614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.965614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.965614 (E_RNA) where: Base-Base interactions energy: -425.438 where: short stacking energy: -293.912 Base-Backbone interact. energy: 3.615 local terms energy: -448.142661 where: bonds (distance) C4'-P energy: -111.548 bonds (distance) P-C4' energy: -128.614 flat angles C4'-P-C4' energy: -104.471 flat angles P-C4'-P energy: -79.031 tors. eta vs tors. theta energy: -24.479 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: 2 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -743.222343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.222343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.222343 (E_RNA) where: Base-Base interactions energy: -295.791 where: short stacking energy: -258.996 Base-Backbone interact. energy: 7.147 local terms energy: -454.577823 where: bonds (distance) C4'-P energy: -128.612 bonds (distance) P-C4' energy: -143.597 flat angles C4'-P-C4' energy: -121.016 flat angles P-C4'-P energy: -58.702 tors. eta vs tors. theta energy: -2.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -625.592257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.592257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.592257 (E_RNA) where: Base-Base interactions energy: -239.148 where: short stacking energy: -194.912 Base-Backbone interact. energy: 3.431 local terms energy: -389.875712 where: bonds (distance) C4'-P energy: -98.439 bonds (distance) P-C4' energy: -142.537 flat angles C4'-P-C4' energy: -91.847 flat angles P-C4'-P energy: -66.462 tors. eta vs tors. theta energy: 9.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -542.715031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.715031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.715031 (E_RNA) where: Base-Base interactions energy: -210.991 where: short stacking energy: -169.867 Base-Backbone interact. energy: 0.099 local terms energy: -331.823175 where: bonds (distance) C4'-P energy: -117.860 bonds (distance) P-C4' energy: -116.332 flat angles C4'-P-C4' energy: -93.903 flat angles P-C4'-P energy: -37.174 tors. eta vs tors. theta energy: 33.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1719.353413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.353413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.353413 (E_RNA) where: Base-Base interactions energy: -1007.411 where: short stacking energy: -617.177 Base-Backbone interact. energy: -1.173 local terms energy: -710.769042 where: bonds (distance) C4'-P energy: -136.603 bonds (distance) P-C4' energy: -146.846 flat angles C4'-P-C4' energy: -146.481 flat angles P-C4'-P energy: -106.977 tors. eta vs tors. theta energy: -173.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1729.049399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.049399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.049399 (E_RNA) where: Base-Base interactions energy: -1046.485 where: short stacking energy: -585.087 Base-Backbone interact. energy: 2.069 local terms energy: -684.633794 where: bonds (distance) C4'-P energy: -129.051 bonds (distance) P-C4' energy: -159.138 flat angles C4'-P-C4' energy: -149.987 flat angles P-C4'-P energy: -80.388 tors. eta vs tors. theta energy: -166.069 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: 1 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1530.497090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.497090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.497090 (E_RNA) where: Base-Base interactions energy: -899.455 where: short stacking energy: -519.768 Base-Backbone interact. energy: 3.631 local terms energy: -634.673141 where: bonds (distance) C4'-P energy: -140.397 bonds (distance) P-C4' energy: -134.329 flat angles C4'-P-C4' energy: -138.419 flat angles P-C4'-P energy: -84.931 tors. eta vs tors. theta energy: -136.598 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: 27 Temperature: 1.050000 Total energy: -1575.469566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.469566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.469566 (E_RNA) where: Base-Base interactions energy: -968.342 where: short stacking energy: -504.415 Base-Backbone interact. energy: -1.794 local terms energy: -605.334037 where: bonds (distance) C4'-P energy: -120.398 bonds (distance) P-C4' energy: -135.128 flat angles C4'-P-C4' energy: -154.891 flat angles P-C4'-P energy: -80.752 tors. eta vs tors. theta energy: -114.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1379.827969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.827969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.827969 (E_RNA) where: Base-Base interactions energy: -811.286 where: short stacking energy: -435.930 Base-Backbone interact. energy: 0.407 local terms energy: -568.948620 where: bonds (distance) C4'-P energy: -124.669 bonds (distance) P-C4' energy: -136.385 flat angles C4'-P-C4' energy: -134.513 flat angles P-C4'-P energy: -89.991 tors. eta vs tors. theta energy: -83.391 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: 6, replica: 4 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1129.954658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.954658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.954658 (E_RNA) where: Base-Base interactions energy: -640.705 where: short stacking energy: -347.951 Base-Backbone interact. energy: 2.670 local terms energy: -491.919592 where: bonds (distance) C4'-P energy: -131.103 bonds (distance) P-C4' energy: -133.786 flat angles C4'-P-C4' energy: -123.848 flat angles P-C4'-P energy: -73.556 tors. eta vs tors. theta energy: -29.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -968.167622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.167622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.167622 (E_RNA) where: Base-Base interactions energy: -503.691 where: short stacking energy: -296.739 Base-Backbone interact. energy: 1.770 local terms energy: -466.246869 where: bonds (distance) C4'-P energy: -96.404 bonds (distance) P-C4' energy: -146.681 flat angles C4'-P-C4' energy: -120.747 flat angles P-C4'-P energy: -77.356 tors. eta vs tors. theta energy: -25.060 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: 8, replica: 2 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -755.870748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.870748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.870748 (E_RNA) where: Base-Base interactions energy: -326.219 where: short stacking energy: -249.791 Base-Backbone interact. energy: 3.824 local terms energy: -433.475276 where: bonds (distance) C4'-P energy: -108.451 bonds (distance) P-C4' energy: -136.861 flat angles C4'-P-C4' energy: -100.210 flat angles P-C4'-P energy: -78.477 tors. eta vs tors. theta energy: -9.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -619.845826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.845826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.845826 (E_RNA) where: Base-Base interactions energy: -231.756 where: short stacking energy: -165.925 Base-Backbone interact. energy: 0.630 local terms energy: -388.719768 where: bonds (distance) C4'-P energy: -128.694 bonds (distance) P-C4' energy: -124.681 flat angles C4'-P-C4' energy: -90.101 flat angles P-C4'-P energy: -69.509 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: 27 Temperature: 1.350000 Total energy: -573.055029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.055029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.055029 (E_RNA) where: Base-Base interactions energy: -222.523 where: short stacking energy: -152.839 Base-Backbone interact. energy: -0.520 local terms energy: -350.012436 where: bonds (distance) C4'-P energy: -119.428 bonds (distance) P-C4' energy: -117.612 flat angles C4'-P-C4' energy: -102.192 flat angles P-C4'-P energy: -57.495 tors. eta vs tors. theta energy: 46.714 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: 7 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1828.032397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.032397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.032397 (E_RNA) where: Base-Base interactions energy: -1096.221 where: short stacking energy: -580.772 Base-Backbone interact. energy: -2.432 local terms energy: -729.379788 where: bonds (distance) C4'-P energy: -148.806 bonds (distance) P-C4' energy: -161.252 flat angles C4'-P-C4' energy: -167.381 flat angles P-C4'-P energy: -105.151 tors. eta vs tors. theta energy: -146.790 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: 2, replica: 5 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1657.759051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.759051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.759051 (E_RNA) where: Base-Base interactions energy: -944.347 where: short stacking energy: -566.432 Base-Backbone interact. energy: -3.016 local terms energy: -710.395896 where: bonds (distance) C4'-P energy: -141.202 bonds (distance) P-C4' energy: -158.855 flat angles C4'-P-C4' energy: -162.261 flat angles P-C4'-P energy: -104.045 tors. eta vs tors. theta energy: -144.033 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: 3 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1736.092593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.092593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.092593 (E_RNA) where: Base-Base interactions energy: -1078.002 where: short stacking energy: -539.548 Base-Backbone interact. energy: -2.583 local terms energy: -655.508215 where: bonds (distance) C4'-P energy: -145.160 bonds (distance) P-C4' energy: -134.120 flat angles C4'-P-C4' energy: -148.623 flat angles P-C4'-P energy: -95.370 tors. eta vs tors. theta energy: -132.235 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: 1 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1405.563576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.563576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.563576 (E_RNA) where: Base-Base interactions energy: -792.199 where: short stacking energy: -415.882 Base-Backbone interact. energy: 0.266 local terms energy: -613.631298 where: bonds (distance) C4'-P energy: -137.717 bonds (distance) P-C4' energy: -154.634 flat angles C4'-P-C4' energy: -137.244 flat angles P-C4'-P energy: -84.755 tors. eta vs tors. theta energy: -99.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1443.790960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.790960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.790960 (E_RNA) where: Base-Base interactions energy: -875.906 where: short stacking energy: -458.948 Base-Backbone interact. energy: 0.228 local terms energy: -568.113614 where: bonds (distance) C4'-P energy: -120.088 bonds (distance) P-C4' energy: -127.151 flat angles C4'-P-C4' energy: -144.561 flat angles P-C4'-P energy: -83.814 tors. eta vs tors. theta energy: -92.501 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: 4 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1211.465851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.465851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.465851 (E_RNA) where: Base-Base interactions energy: -701.835 where: short stacking energy: -356.449 Base-Backbone interact. energy: -2.069 local terms energy: -507.561057 where: bonds (distance) C4'-P energy: -111.857 bonds (distance) P-C4' energy: -123.149 flat angles C4'-P-C4' energy: -142.187 flat angles P-C4'-P energy: -66.519 tors. eta vs tors. theta energy: -63.850 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: 8 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -911.466192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.466192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.466192 (E_RNA) where: Base-Base interactions energy: -420.136 where: short stacking energy: -276.473 Base-Backbone interact. energy: 2.533 local terms energy: -494.208908 where: bonds (distance) C4'-P energy: -131.687 bonds (distance) P-C4' energy: -114.612 flat angles C4'-P-C4' energy: -138.329 flat angles P-C4'-P energy: -77.369 tors. eta vs tors. theta energy: -32.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.346 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -718.893146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.893146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.893146 (E_RNA) where: Base-Base interactions energy: -297.864 where: short stacking energy: -227.815 Base-Backbone interact. energy: -3.260 local terms energy: -417.769583 where: bonds (distance) C4'-P energy: -111.958 bonds (distance) P-C4' energy: -126.706 flat angles C4'-P-C4' energy: -92.525 flat angles P-C4'-P energy: -68.327 tors. eta vs tors. theta energy: -18.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -724.850377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.850377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.850377 (E_RNA) where: Base-Base interactions energy: -334.903 where: short stacking energy: -212.855 Base-Backbone interact. energy: -2.519 local terms energy: -387.427927 where: bonds (distance) C4'-P energy: -105.374 bonds (distance) P-C4' energy: -134.576 flat angles C4'-P-C4' energy: -104.253 flat angles P-C4'-P energy: -46.994 tors. eta vs tors. theta energy: 3.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -550.115688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.115688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.115688 (E_RNA) where: Base-Base interactions energy: -188.503 where: short stacking energy: -154.006 Base-Backbone interact. energy: 0.123 local terms energy: -361.735639 where: bonds (distance) C4'-P energy: -112.466 bonds (distance) P-C4' energy: -137.425 flat angles C4'-P-C4' energy: -104.104 flat angles P-C4'-P energy: -50.011 tors. eta vs tors. theta energy: 42.270 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: 7 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1807.290244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.290244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.290244 (E_RNA) where: Base-Base interactions energy: -1100.914 where: short stacking energy: -589.838 Base-Backbone interact. energy: -1.555 local terms energy: -704.820914 where: bonds (distance) C4'-P energy: -155.258 bonds (distance) P-C4' energy: -153.586 flat angles C4'-P-C4' energy: -153.987 flat angles P-C4'-P energy: -101.500 tors. eta vs tors. theta energy: -140.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1883.657424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.657424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.657424 (E_RNA) where: Base-Base interactions energy: -1171.881 where: short stacking energy: -576.848 Base-Backbone interact. energy: -0.622 local terms energy: -711.154250 where: bonds (distance) C4'-P energy: -139.989 bonds (distance) P-C4' energy: -150.683 flat angles C4'-P-C4' energy: -161.498 flat angles P-C4'-P energy: -97.726 tors. eta vs tors. theta energy: -161.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1552.689017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.689017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.689017 (E_RNA) where: Base-Base interactions energy: -889.727 where: short stacking energy: -518.699 Base-Backbone interact. energy: -0.666 local terms energy: -662.296281 where: bonds (distance) C4'-P energy: -141.378 bonds (distance) P-C4' energy: -143.456 flat angles C4'-P-C4' energy: -146.427 flat angles P-C4'-P energy: -107.711 tors. eta vs tors. theta energy: -123.324 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: 29 Temperature: 1.050000 Total energy: -1547.652176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.652176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.652176 (E_RNA) where: Base-Base interactions energy: -951.919 where: short stacking energy: -478.034 Base-Backbone interact. energy: -5.386 local terms energy: -590.347432 where: bonds (distance) C4'-P energy: -136.992 bonds (distance) P-C4' energy: -125.303 flat angles C4'-P-C4' energy: -147.442 flat angles P-C4'-P energy: -94.298 tors. eta vs tors. theta energy: -86.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1288.941831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.941831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.941831 (E_RNA) where: Base-Base interactions energy: -702.460 where: short stacking energy: -407.372 Base-Backbone interact. energy: 11.942 local terms energy: -598.424418 where: bonds (distance) C4'-P energy: -133.814 bonds (distance) P-C4' energy: -148.349 flat angles C4'-P-C4' energy: -140.988 flat angles P-C4'-P energy: -97.863 tors. eta vs tors. theta energy: -77.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1240.550218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.550218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.550218 (E_RNA) where: Base-Base interactions energy: -744.387 where: short stacking energy: -381.165 Base-Backbone interact. energy: 2.364 local terms energy: -498.526633 where: bonds (distance) C4'-P energy: -118.675 bonds (distance) P-C4' energy: -103.835 flat angles C4'-P-C4' energy: -125.072 flat angles P-C4'-P energy: -92.101 tors. eta vs tors. theta energy: -58.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -994.009201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.009201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.009201 (E_RNA) where: Base-Base interactions energy: -507.895 where: short stacking energy: -305.837 Base-Backbone interact. energy: -2.452 local terms energy: -483.662475 where: bonds (distance) C4'-P energy: -128.823 bonds (distance) P-C4' energy: -129.904 flat angles C4'-P-C4' energy: -116.676 flat angles P-C4'-P energy: -69.560 tors. eta vs tors. theta energy: -38.700 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: 2 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -855.264988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.264988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.264988 (E_RNA) where: Base-Base interactions energy: -411.196 where: short stacking energy: -271.674 Base-Backbone interact. energy: 0.400 local terms energy: -444.469368 where: bonds (distance) C4'-P energy: -95.272 bonds (distance) P-C4' energy: -139.212 flat angles C4'-P-C4' energy: -106.997 flat angles P-C4'-P energy: -90.347 tors. eta vs tors. theta energy: -12.641 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: 10 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -675.876864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.876864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.876864 (E_RNA) where: Base-Base interactions energy: -311.658 where: short stacking energy: -214.093 Base-Backbone interact. energy: 7.140 local terms energy: -371.359412 where: bonds (distance) C4'-P energy: -113.295 bonds (distance) P-C4' energy: -130.603 flat angles C4'-P-C4' energy: -89.525 flat angles P-C4'-P energy: -55.133 tors. eta vs tors. theta energy: 17.196 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: 10, replica: 9 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -575.192154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.192154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.192154 (E_RNA) where: Base-Base interactions energy: -221.931 where: short stacking energy: -164.596 Base-Backbone interact. energy: 2.802 local terms energy: -356.063343 where: bonds (distance) C4'-P energy: -102.842 bonds (distance) P-C4' energy: -123.222 flat angles C4'-P-C4' energy: -92.221 flat angles P-C4'-P energy: -79.848 tors. eta vs tors. theta energy: 42.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1965.921861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.921861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.921861 (E_RNA) where: Base-Base interactions energy: -1233.810 where: short stacking energy: -632.000 Base-Backbone interact. energy: -2.664 local terms energy: -729.448461 where: bonds (distance) C4'-P energy: -139.869 bonds (distance) P-C4' energy: -150.264 flat angles C4'-P-C4' energy: -161.579 flat angles P-C4'-P energy: -110.017 tors. eta vs tors. theta energy: -167.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1801.177543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.177543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.177543 (E_RNA) where: Base-Base interactions energy: -1110.820 where: short stacking energy: -572.054 Base-Backbone interact. energy: -0.162 local terms energy: -690.195283 where: bonds (distance) C4'-P energy: -128.464 bonds (distance) P-C4' energy: -156.269 flat angles C4'-P-C4' energy: -164.143 flat angles P-C4'-P energy: -104.846 tors. eta vs tors. theta energy: -136.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1725.126461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.126461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.126461 (E_RNA) where: Base-Base interactions energy: -1064.446 where: short stacking energy: -483.779 Base-Backbone interact. energy: -5.935 local terms energy: -654.745879 where: bonds (distance) C4'-P energy: -143.487 bonds (distance) P-C4' energy: -142.469 flat angles C4'-P-C4' energy: -151.368 flat angles P-C4'-P energy: -89.116 tors. eta vs tors. theta energy: -128.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1490.058935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.058935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.058935 (E_RNA) where: Base-Base interactions energy: -847.135 where: short stacking energy: -493.093 Base-Backbone interact. energy: -3.769 local terms energy: -639.154715 where: bonds (distance) C4'-P energy: -142.326 bonds (distance) P-C4' energy: -149.460 flat angles C4'-P-C4' energy: -142.534 flat angles P-C4'-P energy: -85.504 tors. eta vs tors. theta energy: -119.329 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: 4 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1330.911270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.911270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.911270 (E_RNA) where: Base-Base interactions energy: -785.575 where: short stacking energy: -412.126 Base-Backbone interact. energy: 2.355 local terms energy: -547.691829 where: bonds (distance) C4'-P energy: -139.269 bonds (distance) P-C4' energy: -141.499 flat angles C4'-P-C4' energy: -119.449 flat angles P-C4'-P energy: -77.055 tors. eta vs tors. theta energy: -70.420 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: 1 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1178.343763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.343763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.343763 (E_RNA) where: Base-Base interactions energy: -647.300 where: short stacking energy: -342.334 Base-Backbone interact. energy: -1.737 local terms energy: -529.306506 where: bonds (distance) C4'-P energy: -136.693 bonds (distance) P-C4' energy: -135.483 flat angles C4'-P-C4' energy: -114.318 flat angles P-C4'-P energy: -83.744 tors. eta vs tors. theta energy: -59.069 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: 7, replica: 8 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -967.079889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.079889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.079889 (E_RNA) where: Base-Base interactions energy: -488.715 where: short stacking energy: -306.460 Base-Backbone interact. energy: 2.829 local terms energy: -481.704409 where: bonds (distance) C4'-P energy: -115.143 bonds (distance) P-C4' energy: -136.766 flat angles C4'-P-C4' energy: -126.918 flat angles P-C4'-P energy: -74.012 tors. eta vs tors. theta energy: -28.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.510 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -844.302560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.302560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.302560 (E_RNA) where: Base-Base interactions energy: -404.351 where: short stacking energy: -268.078 Base-Backbone interact. energy: -1.592 local terms energy: -438.360398 where: bonds (distance) C4'-P energy: -134.176 bonds (distance) P-C4' energy: -130.230 flat angles C4'-P-C4' energy: -108.297 flat angles P-C4'-P energy: -59.190 tors. eta vs tors. theta energy: -6.467 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: 9 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -621.414342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.414342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.414342 (E_RNA) where: Base-Base interactions energy: -221.958 where: short stacking energy: -189.077 Base-Backbone interact. energy: 7.046 local terms energy: -406.501873 where: bonds (distance) C4'-P energy: -113.596 bonds (distance) P-C4' energy: -146.256 flat angles C4'-P-C4' energy: -91.863 flat angles P-C4'-P energy: -78.526 tors. eta vs tors. theta energy: 23.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -530.200889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.200889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.200889 (E_RNA) where: Base-Base interactions energy: -167.290 where: short stacking energy: -134.534 Base-Backbone interact. energy: 2.317 local terms energy: -365.228182 where: bonds (distance) C4'-P energy: -143.287 bonds (distance) P-C4' energy: -113.734 flat angles C4'-P-C4' energy: -96.211 flat angles P-C4'-P energy: -50.365 tors. eta vs tors. theta energy: 38.369 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: 1, replica: 3 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -2020.233579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.233579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.233579 (E_RNA) where: Base-Base interactions energy: -1274.046 where: short stacking energy: -625.988 Base-Backbone interact. energy: -1.293 local terms energy: -744.893830 where: bonds (distance) C4'-P energy: -157.610 bonds (distance) P-C4' energy: -154.962 flat angles C4'-P-C4' energy: -161.334 flat angles P-C4'-P energy: -103.454 tors. eta vs tors. theta energy: -167.534 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: 6 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1836.807748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.807748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.807748 (E_RNA) where: Base-Base interactions energy: -1144.954 where: short stacking energy: -588.625 Base-Backbone interact. energy: -1.722 local terms energy: -690.132034 where: bonds (distance) C4'-P energy: -120.811 bonds (distance) P-C4' energy: -157.097 flat angles C4'-P-C4' energy: -161.217 flat angles P-C4'-P energy: -103.195 tors. eta vs tors. theta energy: -147.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1641.920883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.920883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.920883 (E_RNA) where: Base-Base interactions energy: -1000.912 where: short stacking energy: -514.464 Base-Backbone interact. energy: -0.736 local terms energy: -640.273278 where: bonds (distance) C4'-P energy: -143.420 bonds (distance) P-C4' energy: -133.560 flat angles C4'-P-C4' energy: -152.796 flat angles P-C4'-P energy: -88.044 tors. eta vs tors. theta energy: -122.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1437.557275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.557275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.557275 (E_RNA) where: Base-Base interactions energy: -831.004 where: short stacking energy: -515.057 Base-Backbone interact. energy: -0.947 local terms energy: -605.606700 where: bonds (distance) C4'-P energy: -119.219 bonds (distance) P-C4' energy: -144.372 flat angles C4'-P-C4' energy: -143.924 flat angles P-C4'-P energy: -79.315 tors. eta vs tors. theta energy: -118.777 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: 4 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1373.652436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.652436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.652436 (E_RNA) where: Base-Base interactions energy: -788.378 where: short stacking energy: -444.663 Base-Backbone interact. energy: 2.473 local terms energy: -587.746753 where: bonds (distance) C4'-P energy: -139.819 bonds (distance) P-C4' energy: -135.197 flat angles C4'-P-C4' energy: -137.294 flat angles P-C4'-P energy: -79.546 tors. eta vs tors. theta energy: -95.891 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: 1 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1120.664431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.664431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.664431 (E_RNA) where: Base-Base interactions energy: -588.261 where: short stacking energy: -326.697 Base-Backbone interact. energy: 4.543 local terms energy: -536.946186 where: bonds (distance) C4'-P energy: -139.714 bonds (distance) P-C4' energy: -132.795 flat angles C4'-P-C4' energy: -129.787 flat angles P-C4'-P energy: -86.409 tors. eta vs tors. theta energy: -48.241 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: 7, replica: 8 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1008.147996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.147996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.147996 (E_RNA) where: Base-Base interactions energy: -507.480 where: short stacking energy: -279.436 Base-Backbone interact. energy: 0.995 local terms energy: -501.663454 where: bonds (distance) C4'-P energy: -135.481 bonds (distance) P-C4' energy: -141.198 flat angles C4'-P-C4' energy: -120.052 flat angles P-C4'-P energy: -79.764 tors. eta vs tors. theta energy: -25.169 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: 8, replica: 2 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -874.305435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.305435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.305435 (E_RNA) where: Base-Base interactions energy: -416.243 where: short stacking energy: -267.072 Base-Backbone interact. energy: 1.750 local terms energy: -459.812443 where: bonds (distance) C4'-P energy: -110.307 bonds (distance) P-C4' energy: -133.029 flat angles C4'-P-C4' energy: -117.867 flat angles P-C4'-P energy: -69.923 tors. eta vs tors. theta energy: -28.687 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: 9, replica: 9 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -640.318046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.318046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.318046 (E_RNA) where: Base-Base interactions energy: -250.888 where: short stacking energy: -182.586 Base-Backbone interact. energy: 1.231 local terms energy: -392.000457 where: bonds (distance) C4'-P energy: -122.123 bonds (distance) P-C4' energy: -128.637 flat angles C4'-P-C4' energy: -94.489 flat angles P-C4'-P energy: -39.768 tors. eta vs tors. theta energy: -6.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.339 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -560.242634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.242634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.242634 (E_RNA) where: Base-Base interactions energy: -179.840 where: short stacking energy: -153.758 Base-Backbone interact. energy: -1.440 local terms energy: -379.288860 where: bonds (distance) C4'-P energy: -121.007 bonds (distance) P-C4' energy: -125.252 flat angles C4'-P-C4' energy: -113.118 flat angles P-C4'-P energy: -52.702 tors. eta vs tors. theta energy: 32.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.326 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -2092.219165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.219165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.219165 (E_RNA) where: Base-Base interactions energy: -1311.467 where: short stacking energy: -660.301 Base-Backbone interact. energy: 0.758 local terms energy: -781.510695 where: bonds (distance) C4'-P energy: -166.067 bonds (distance) P-C4' energy: -162.449 flat angles C4'-P-C4' energy: -171.436 flat angles P-C4'-P energy: -96.930 tors. eta vs tors. theta energy: -184.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1800.821182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.821182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.821182 (E_RNA) where: Base-Base interactions energy: -1160.818 where: short stacking energy: -565.186 Base-Backbone interact. energy: -1.954 local terms energy: -638.049508 where: bonds (distance) C4'-P energy: -132.694 bonds (distance) P-C4' energy: -140.377 flat angles C4'-P-C4' energy: -144.339 flat angles P-C4'-P energy: -89.739 tors. eta vs tors. theta energy: -130.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1611.963165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.963165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.963165 (E_RNA) where: Base-Base interactions energy: -947.827 where: short stacking energy: -507.545 Base-Backbone interact. energy: -2.504 local terms energy: -661.632501 where: bonds (distance) C4'-P energy: -142.542 bonds (distance) P-C4' energy: -147.525 flat angles C4'-P-C4' energy: -153.418 flat angles P-C4'-P energy: -87.256 tors. eta vs tors. theta energy: -130.892 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: 5 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1472.018040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.018040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.018040 (E_RNA) where: Base-Base interactions energy: -836.081 where: short stacking energy: -474.210 Base-Backbone interact. energy: 0.068 local terms energy: -636.005148 where: bonds (distance) C4'-P energy: -143.699 bonds (distance) P-C4' energy: -150.488 flat angles C4'-P-C4' energy: -136.140 flat angles P-C4'-P energy: -91.559 tors. eta vs tors. theta energy: -114.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1370.233057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.233057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.233057 (E_RNA) where: Base-Base interactions energy: -812.703 where: short stacking energy: -414.845 Base-Backbone interact. energy: -2.734 local terms energy: -554.796430 where: bonds (distance) C4'-P energy: -124.199 bonds (distance) P-C4' energy: -132.382 flat angles C4'-P-C4' energy: -148.263 flat angles P-C4'-P energy: -84.349 tors. eta vs tors. theta energy: -65.604 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: 1 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1161.021399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.021399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.021399 (E_RNA) where: Base-Base interactions energy: -633.413 where: short stacking energy: -368.191 Base-Backbone interact. energy: 4.502 local terms energy: -532.110743 where: bonds (distance) C4'-P energy: -128.318 bonds (distance) P-C4' energy: -134.248 flat angles C4'-P-C4' energy: -111.150 flat angles P-C4'-P energy: -92.108 tors. eta vs tors. theta energy: -66.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -998.278876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.278876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.278876 (E_RNA) where: Base-Base interactions energy: -485.259 where: short stacking energy: -273.756 Base-Backbone interact. energy: -2.356 local terms energy: -510.663556 where: bonds (distance) C4'-P energy: -123.630 bonds (distance) P-C4' energy: -129.765 flat angles C4'-P-C4' energy: -131.828 flat angles P-C4'-P energy: -85.092 tors. eta vs tors. theta energy: -40.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -952.618533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.618533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.618533 (E_RNA) where: Base-Base interactions energy: -471.999 where: short stacking energy: -281.799 Base-Backbone interact. energy: -4.420 local terms energy: -476.199968 where: bonds (distance) C4'-P energy: -119.544 bonds (distance) P-C4' energy: -138.328 flat angles C4'-P-C4' energy: -119.613 flat angles P-C4'-P energy: -72.125 tors. eta vs tors. theta energy: -26.589 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: 9, replica: 9 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -673.347977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.347977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.347977 (E_RNA) where: Base-Base interactions energy: -280.317 where: short stacking energy: -221.830 Base-Backbone interact. energy: -0.902 local terms energy: -392.129787 where: bonds (distance) C4'-P energy: -113.798 bonds (distance) P-C4' energy: -126.392 flat angles C4'-P-C4' energy: -115.926 flat angles P-C4'-P energy: -44.298 tors. eta vs tors. theta energy: 8.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -617.793347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.793347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.793347 (E_RNA) where: Base-Base interactions energy: -188.807 where: short stacking energy: -175.544 Base-Backbone interact. energy: 1.361 local terms energy: -430.346779 where: bonds (distance) C4'-P energy: -120.109 bonds (distance) P-C4' energy: -135.179 flat angles C4'-P-C4' energy: -112.544 flat angles P-C4'-P energy: -66.687 tors. eta vs tors. theta energy: 4.172 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: 3 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2125.159752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.159752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.159752 (E_RNA) where: Base-Base interactions energy: -1355.658 where: short stacking energy: -677.928 Base-Backbone interact. energy: 1.964 local terms energy: -771.465516 where: bonds (distance) C4'-P energy: -135.091 bonds (distance) P-C4' energy: -165.000 flat angles C4'-P-C4' energy: -168.979 flat angles P-C4'-P energy: -112.269 tors. eta vs tors. theta energy: -190.126 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: 6 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1821.473806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.473806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.473806 (E_RNA) where: Base-Base interactions energy: -1137.570 where: short stacking energy: -561.546 Base-Backbone interact. energy: -0.684 local terms energy: -683.219890 where: bonds (distance) C4'-P energy: -127.592 bonds (distance) P-C4' energy: -159.894 flat angles C4'-P-C4' energy: -165.074 flat angles P-C4'-P energy: -98.268 tors. eta vs tors. theta energy: -132.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1615.590435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.590435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.590435 (E_RNA) where: Base-Base interactions energy: -976.452 where: short stacking energy: -503.505 Base-Backbone interact. energy: -1.815 local terms energy: -637.323778 where: bonds (distance) C4'-P energy: -130.164 bonds (distance) P-C4' energy: -136.080 flat angles C4'-P-C4' energy: -149.648 flat angles P-C4'-P energy: -84.216 tors. eta vs tors. theta energy: -137.215 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: 5 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1515.271430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.271430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.271430 (E_RNA) where: Base-Base interactions energy: -904.808 where: short stacking energy: -450.749 Base-Backbone interact. energy: -1.671 local terms energy: -608.793106 where: bonds (distance) C4'-P energy: -132.017 bonds (distance) P-C4' energy: -135.129 flat angles C4'-P-C4' energy: -135.001 flat angles P-C4'-P energy: -102.673 tors. eta vs tors. theta energy: -103.974 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: 4 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1371.112069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.112069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.112069 (E_RNA) where: Base-Base interactions energy: -818.439 where: short stacking energy: -423.482 Base-Backbone interact. energy: 0.711 local terms energy: -553.384129 where: bonds (distance) C4'-P energy: -128.679 bonds (distance) P-C4' energy: -127.289 flat angles C4'-P-C4' energy: -129.603 flat angles P-C4'-P energy: -77.603 tors. eta vs tors. theta energy: -90.211 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: 1 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1135.270440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.270440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.270440 (E_RNA) where: Base-Base interactions energy: -598.566 where: short stacking energy: -341.666 Base-Backbone interact. energy: -3.227 local terms energy: -533.477704 where: bonds (distance) C4'-P energy: -132.405 bonds (distance) P-C4' energy: -144.130 flat angles C4'-P-C4' energy: -119.392 flat angles P-C4'-P energy: -71.790 tors. eta vs tors. theta energy: -65.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -999.272094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.272094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.272094 (E_RNA) where: Base-Base interactions energy: -493.022 where: short stacking energy: -285.417 Base-Backbone interact. energy: -2.637 local terms energy: -503.613202 where: bonds (distance) C4'-P energy: -116.295 bonds (distance) P-C4' energy: -133.602 flat angles C4'-P-C4' energy: -123.748 flat angles P-C4'-P energy: -94.771 tors. eta vs tors. theta energy: -35.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -996.295411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.295411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.295411 (E_RNA) where: Base-Base interactions energy: -522.387 where: short stacking energy: -290.666 Base-Backbone interact. energy: 0.321 local terms energy: -474.230227 where: bonds (distance) C4'-P energy: -126.801 bonds (distance) P-C4' energy: -117.140 flat angles C4'-P-C4' energy: -121.290 flat angles P-C4'-P energy: -61.792 tors. eta vs tors. theta energy: -47.208 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: 9 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -682.598835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.598835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.598835 (E_RNA) where: Base-Base interactions energy: -280.662 where: short stacking energy: -189.696 Base-Backbone interact. energy: 0.819 local terms energy: -402.756033 where: bonds (distance) C4'-P energy: -121.454 bonds (distance) P-C4' energy: -130.669 flat angles C4'-P-C4' energy: -97.559 flat angles P-C4'-P energy: -68.636 tors. eta vs tors. theta energy: 15.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -560.562961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.562961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.562961 (E_RNA) where: Base-Base interactions energy: -214.691 where: short stacking energy: -151.038 Base-Backbone interact. energy: 4.540 local terms energy: -350.411967 where: bonds (distance) C4'-P energy: -101.821 bonds (distance) P-C4' energy: -127.066 flat angles C4'-P-C4' energy: -95.843 flat angles P-C4'-P energy: -73.138 tors. eta vs tors. theta energy: 47.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -2154.843504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.843504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.843504 (E_RNA) where: Base-Base interactions energy: -1384.482 where: short stacking energy: -703.540 Base-Backbone interact. energy: -2.241 local terms energy: -768.120554 where: bonds (distance) C4'-P energy: -154.007 bonds (distance) P-C4' energy: -153.096 flat angles C4'-P-C4' energy: -164.195 flat angles P-C4'-P energy: -102.074 tors. eta vs tors. theta energy: -194.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1876.355603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.355603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.355603 (E_RNA) where: Base-Base interactions energy: -1156.627 where: short stacking energy: -558.119 Base-Backbone interact. energy: -4.167 local terms energy: -715.561699 where: bonds (distance) C4'-P energy: -147.222 bonds (distance) P-C4' energy: -152.987 flat angles C4'-P-C4' energy: -166.169 flat angles P-C4'-P energy: -118.794 tors. eta vs tors. theta energy: -130.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1628.811022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.811022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.811022 (E_RNA) where: Base-Base interactions energy: -1012.021 where: short stacking energy: -496.329 Base-Backbone interact. energy: 4.123 local terms energy: -620.912640 where: bonds (distance) C4'-P energy: -130.091 bonds (distance) P-C4' energy: -147.761 flat angles C4'-P-C4' energy: -140.026 flat angles P-C4'-P energy: -97.654 tors. eta vs tors. theta energy: -105.380 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: 5 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1552.480453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.480453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.480453 (E_RNA) where: Base-Base interactions energy: -878.694 where: short stacking energy: -514.314 Base-Backbone interact. energy: -1.258 local terms energy: -672.527862 where: bonds (distance) C4'-P energy: -145.563 bonds (distance) P-C4' energy: -151.911 flat angles C4'-P-C4' energy: -153.624 flat angles P-C4'-P energy: -102.305 tors. eta vs tors. theta energy: -119.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1442.602518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.602518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.602518 (E_RNA) where: Base-Base interactions energy: -844.259 where: short stacking energy: -455.780 Base-Backbone interact. energy: 1.385 local terms energy: -599.728818 where: bonds (distance) C4'-P energy: -118.157 bonds (distance) P-C4' energy: -132.084 flat angles C4'-P-C4' energy: -146.707 flat angles P-C4'-P energy: -86.925 tors. eta vs tors. theta energy: -115.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1114.241901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.241901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.241901 (E_RNA) where: Base-Base interactions energy: -582.000 where: short stacking energy: -333.723 Base-Backbone interact. energy: -0.169 local terms energy: -532.072139 where: bonds (distance) C4'-P energy: -129.928 bonds (distance) P-C4' energy: -145.322 flat angles C4'-P-C4' energy: -123.535 flat angles P-C4'-P energy: -75.107 tors. eta vs tors. theta energy: -58.180 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: 7, replica: 8 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1051.506121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.506121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.506121 (E_RNA) where: Base-Base interactions energy: -552.930 where: short stacking energy: -305.250 Base-Backbone interact. energy: 0.463 local terms energy: -499.038954 where: bonds (distance) C4'-P energy: -112.527 bonds (distance) P-C4' energy: -133.553 flat angles C4'-P-C4' energy: -112.892 flat angles P-C4'-P energy: -92.270 tors. eta vs tors. theta energy: -47.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -1010.721819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.721819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.721819 (E_RNA) where: Base-Base interactions energy: -531.245 where: short stacking energy: -308.334 Base-Backbone interact. energy: 6.855 local terms energy: -486.331812 where: bonds (distance) C4'-P energy: -120.852 bonds (distance) P-C4' energy: -125.161 flat angles C4'-P-C4' energy: -119.999 flat angles P-C4'-P energy: -87.070 tors. eta vs tors. theta energy: -33.250 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: 34 Temperature: 1.300000 Total energy: -612.811269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.811269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.811269 (E_RNA) where: Base-Base interactions energy: -216.616 where: short stacking energy: -162.209 Base-Backbone interact. energy: 5.203 local terms energy: -401.398860 where: bonds (distance) C4'-P energy: -128.524 bonds (distance) P-C4' energy: -123.290 flat angles C4'-P-C4' energy: -99.872 flat angles P-C4'-P energy: -76.347 tors. eta vs tors. theta energy: 26.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -564.513674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.513674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.513674 (E_RNA) where: Base-Base interactions energy: -190.951 where: short stacking energy: -174.286 Base-Backbone interact. energy: 6.435 local terms energy: -379.997917 where: bonds (distance) C4'-P energy: -125.696 bonds (distance) P-C4' energy: -124.920 flat angles C4'-P-C4' energy: -106.198 flat angles P-C4'-P energy: -54.870 tors. eta vs tors. theta energy: 31.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -2158.407673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.407673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.407673 (E_RNA) where: Base-Base interactions energy: -1406.951 where: short stacking energy: -682.543 Base-Backbone interact. energy: 1.439 local terms energy: -752.895515 where: bonds (distance) C4'-P energy: -151.720 bonds (distance) P-C4' energy: -146.055 flat angles C4'-P-C4' energy: -161.374 flat angles P-C4'-P energy: -102.561 tors. eta vs tors. theta energy: -191.184 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: 6 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1884.003741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.003741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.003741 (E_RNA) where: Base-Base interactions energy: -1191.915 where: short stacking energy: -644.420 Base-Backbone interact. energy: -3.303 local terms energy: -688.785843 where: bonds (distance) C4'-P energy: -141.212 bonds (distance) P-C4' energy: -142.837 flat angles C4'-P-C4' energy: -145.320 flat angles P-C4'-P energy: -89.766 tors. eta vs tors. theta energy: -169.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1702.991613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.991613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.991613 (E_RNA) where: Base-Base interactions energy: -1052.100 where: short stacking energy: -551.829 Base-Backbone interact. energy: 1.502 local terms energy: -652.393372 where: bonds (distance) C4'-P energy: -128.642 bonds (distance) P-C4' energy: -149.616 flat angles C4'-P-C4' energy: -151.468 flat angles P-C4'-P energy: -90.396 tors. eta vs tors. theta energy: -132.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1627.595123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.595123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.595123 (E_RNA) where: Base-Base interactions energy: -971.959 where: short stacking energy: -538.634 Base-Backbone interact. energy: -1.140 local terms energy: -654.495522 where: bonds (distance) C4'-P energy: -149.222 bonds (distance) P-C4' energy: -121.967 flat angles C4'-P-C4' energy: -144.379 flat angles P-C4'-P energy: -90.125 tors. eta vs tors. theta energy: -148.802 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: 4 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1386.832407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.832407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.832407 (E_RNA) where: Base-Base interactions energy: -801.846 where: short stacking energy: -422.768 Base-Backbone interact. energy: -1.632 local terms energy: -583.354106 where: bonds (distance) C4'-P energy: -138.641 bonds (distance) P-C4' energy: -137.534 flat angles C4'-P-C4' energy: -128.341 flat angles P-C4'-P energy: -95.001 tors. eta vs tors. theta energy: -83.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1114.618705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.618705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.618705 (E_RNA) where: Base-Base interactions energy: -598.985 where: short stacking energy: -377.076 Base-Backbone interact. energy: -2.201 local terms energy: -513.433325 where: bonds (distance) C4'-P energy: -120.624 bonds (distance) P-C4' energy: -133.835 flat angles C4'-P-C4' energy: -115.320 flat angles P-C4'-P energy: -81.029 tors. eta vs tors. theta energy: -62.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1007.519538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.519538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.519538 (E_RNA) where: Base-Base interactions energy: -502.179 where: short stacking energy: -297.686 Base-Backbone interact. energy: 0.138 local terms energy: -505.477740 where: bonds (distance) C4'-P energy: -128.573 bonds (distance) P-C4' energy: -148.825 flat angles C4'-P-C4' energy: -123.660 flat angles P-C4'-P energy: -81.020 tors. eta vs tors. theta energy: -23.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -1013.486867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.486867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.486867 (E_RNA) where: Base-Base interactions energy: -553.629 where: short stacking energy: -306.899 Base-Backbone interact. energy: -1.757 local terms energy: -458.100745 where: bonds (distance) C4'-P energy: -121.530 bonds (distance) P-C4' energy: -133.146 flat angles C4'-P-C4' energy: -105.369 flat angles P-C4'-P energy: -77.156 tors. eta vs tors. theta energy: -20.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -636.017159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.017159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.017159 (E_RNA) where: Base-Base interactions energy: -224.512 where: short stacking energy: -174.297 Base-Backbone interact. energy: -2.716 local terms energy: -408.789183 where: bonds (distance) C4'-P energy: -131.668 bonds (distance) P-C4' energy: -120.956 flat angles C4'-P-C4' energy: -99.406 flat angles P-C4'-P energy: -67.677 tors. eta vs tors. theta energy: 10.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -584.667093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.667093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.667093 (E_RNA) where: Base-Base interactions energy: -247.605 where: short stacking energy: -188.073 Base-Backbone interact. energy: -1.067 local terms energy: -335.995503 where: bonds (distance) C4'-P energy: -97.122 bonds (distance) P-C4' energy: -121.485 flat angles C4'-P-C4' energy: -102.421 flat angles P-C4'-P energy: -38.202 tors. eta vs tors. theta energy: 23.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2127.186490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.186490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.186490 (E_RNA) where: Base-Base interactions energy: -1364.553 where: short stacking energy: -647.975 Base-Backbone interact. energy: -0.274 local terms energy: -762.359348 where: bonds (distance) C4'-P energy: -149.745 bonds (distance) P-C4' energy: -153.057 flat angles C4'-P-C4' energy: -169.136 flat angles P-C4'-P energy: -99.623 tors. eta vs tors. theta energy: -190.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1842.801981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.801981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.801981 (E_RNA) where: Base-Base interactions energy: -1134.347 where: short stacking energy: -583.867 Base-Backbone interact. energy: -3.915 local terms energy: -704.539966 where: bonds (distance) C4'-P energy: -146.206 bonds (distance) P-C4' energy: -163.692 flat angles C4'-P-C4' energy: -157.249 flat angles P-C4'-P energy: -83.082 tors. eta vs tors. theta energy: -154.311 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: 7 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1736.579844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.579844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.579844 (E_RNA) where: Base-Base interactions energy: -1086.933 where: short stacking energy: -537.455 Base-Backbone interact. energy: 0.651 local terms energy: -650.298134 where: bonds (distance) C4'-P energy: -136.178 bonds (distance) P-C4' energy: -153.496 flat angles C4'-P-C4' energy: -140.931 flat angles P-C4'-P energy: -92.328 tors. eta vs tors. theta energy: -127.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1608.436117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.436117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.436117 (E_RNA) where: Base-Base interactions energy: -953.191 where: short stacking energy: -529.327 Base-Backbone interact. energy: 0.830 local terms energy: -656.074431 where: bonds (distance) C4'-P energy: -135.789 bonds (distance) P-C4' energy: -159.226 flat angles C4'-P-C4' energy: -130.196 flat angles P-C4'-P energy: -102.104 tors. eta vs tors. theta energy: -128.759 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: 4 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1380.306032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.306032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.306032 (E_RNA) where: Base-Base interactions energy: -818.514 where: short stacking energy: -419.318 Base-Backbone interact. energy: 0.430 local terms energy: -562.221692 where: bonds (distance) C4'-P energy: -124.565 bonds (distance) P-C4' energy: -140.927 flat angles C4'-P-C4' energy: -131.033 flat angles P-C4'-P energy: -92.875 tors. eta vs tors. theta energy: -72.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1114.779522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.779522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.779522 (E_RNA) where: Base-Base interactions energy: -624.453 where: short stacking energy: -375.087 Base-Backbone interact. energy: 0.163 local terms energy: -490.488919 where: bonds (distance) C4'-P energy: -116.336 bonds (distance) P-C4' energy: -112.825 flat angles C4'-P-C4' energy: -125.099 flat angles P-C4'-P energy: -80.986 tors. eta vs tors. theta energy: -55.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -972.163759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.163759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.163759 (E_RNA) where: Base-Base interactions energy: -493.349 where: short stacking energy: -286.452 Base-Backbone interact. energy: -0.977 local terms energy: -477.838191 where: bonds (distance) C4'-P energy: -134.383 bonds (distance) P-C4' energy: -134.235 flat angles C4'-P-C4' energy: -111.443 flat angles P-C4'-P energy: -70.477 tors. eta vs tors. theta energy: -27.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1088.291689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.291689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.291689 (E_RNA) where: Base-Base interactions energy: -593.743 where: short stacking energy: -324.172 Base-Backbone interact. energy: -0.434 local terms energy: -494.114706 where: bonds (distance) C4'-P energy: -101.807 bonds (distance) P-C4' energy: -128.381 flat angles C4'-P-C4' energy: -126.045 flat angles P-C4'-P energy: -87.249 tors. eta vs tors. theta energy: -50.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -601.422270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.422270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.422270 (E_RNA) where: Base-Base interactions energy: -225.870 where: short stacking energy: -170.068 Base-Backbone interact. energy: 2.367 local terms energy: -377.919389 where: bonds (distance) C4'-P energy: -104.124 bonds (distance) P-C4' energy: -106.760 flat angles C4'-P-C4' energy: -108.122 flat angles P-C4'-P energy: -74.802 tors. eta vs tors. theta energy: 15.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -598.320095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.320095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.320095 (E_RNA) where: Base-Base interactions energy: -208.000 where: short stacking energy: -160.510 Base-Backbone interact. energy: -0.643 local terms energy: -389.676998 where: bonds (distance) C4'-P energy: -115.254 bonds (distance) P-C4' energy: -130.060 flat angles C4'-P-C4' energy: -115.229 flat angles P-C4'-P energy: -38.253 tors. eta vs tors. theta energy: 9.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2108.160641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.160641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.160641 (E_RNA) where: Base-Base interactions energy: -1354.595 where: short stacking energy: -662.341 Base-Backbone interact. energy: -0.666 local terms energy: -752.900253 where: bonds (distance) C4'-P energy: -144.799 bonds (distance) P-C4' energy: -155.061 flat angles C4'-P-C4' energy: -162.370 flat angles P-C4'-P energy: -109.071 tors. eta vs tors. theta energy: -181.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1894.384727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.384727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.384727 (E_RNA) where: Base-Base interactions energy: -1200.738 where: short stacking energy: -589.681 Base-Backbone interact. energy: 0.767 local terms energy: -694.414106 where: bonds (distance) C4'-P energy: -150.765 bonds (distance) P-C4' energy: -148.383 flat angles C4'-P-C4' energy: -155.372 flat angles P-C4'-P energy: -97.440 tors. eta vs tors. theta energy: -142.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1756.049381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.049381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.049381 (E_RNA) where: Base-Base interactions energy: -1094.846 where: short stacking energy: -536.724 Base-Backbone interact. energy: -0.826 local terms energy: -660.377501 where: bonds (distance) C4'-P energy: -130.124 bonds (distance) P-C4' energy: -141.080 flat angles C4'-P-C4' energy: -146.554 flat angles P-C4'-P energy: -100.159 tors. eta vs tors. theta energy: -142.461 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: 5 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1578.668327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.668327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.668327 (E_RNA) where: Base-Base interactions energy: -910.834 where: short stacking energy: -501.244 Base-Backbone interact. energy: -4.512 local terms energy: -663.322158 where: bonds (distance) C4'-P energy: -137.877 bonds (distance) P-C4' energy: -153.641 flat angles C4'-P-C4' energy: -149.129 flat angles P-C4'-P energy: -100.699 tors. eta vs tors. theta energy: -121.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1518.334418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.334418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.334418 (E_RNA) where: Base-Base interactions energy: -896.862 where: short stacking energy: -473.323 Base-Backbone interact. energy: -3.960 local terms energy: -617.513070 where: bonds (distance) C4'-P energy: -129.218 bonds (distance) P-C4' energy: -141.774 flat angles C4'-P-C4' energy: -143.765 flat angles P-C4'-P energy: -108.559 tors. eta vs tors. theta energy: -94.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1156.584369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.584369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.584369 (E_RNA) where: Base-Base interactions energy: -625.590 where: short stacking energy: -381.789 Base-Backbone interact. energy: 3.638 local terms energy: -534.631905 where: bonds (distance) C4'-P energy: -123.321 bonds (distance) P-C4' energy: -128.157 flat angles C4'-P-C4' energy: -127.746 flat angles P-C4'-P energy: -87.380 tors. eta vs tors. theta energy: -68.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1009.461464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.461464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.461464 (E_RNA) where: Base-Base interactions energy: -484.967 where: short stacking energy: -312.930 Base-Backbone interact. energy: 0.487 local terms energy: -524.981864 where: bonds (distance) C4'-P energy: -133.046 bonds (distance) P-C4' energy: -138.448 flat angles C4'-P-C4' energy: -131.940 flat angles P-C4'-P energy: -70.377 tors. eta vs tors. theta energy: -51.171 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: 8, replica: 2 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1079.805247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.805247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.805247 (E_RNA) where: Base-Base interactions energy: -568.617 where: short stacking energy: -317.834 Base-Backbone interact. energy: -2.577 local terms energy: -508.611386 where: bonds (distance) C4'-P energy: -141.200 bonds (distance) P-C4' energy: -132.182 flat angles C4'-P-C4' energy: -128.587 flat angles P-C4'-P energy: -51.921 tors. eta vs tors. theta energy: -54.721 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: 37 Temperature: 1.300000 Total energy: -679.349672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.349672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.349672 (E_RNA) where: Base-Base interactions energy: -296.919 where: short stacking energy: -211.370 Base-Backbone interact. energy: 1.162 local terms energy: -383.592229 where: bonds (distance) C4'-P energy: -113.508 bonds (distance) P-C4' energy: -123.295 flat angles C4'-P-C4' energy: -105.211 flat angles P-C4'-P energy: -47.445 tors. eta vs tors. theta energy: 5.866 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: 9 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -590.657471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.657471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.657471 (E_RNA) where: Base-Base interactions energy: -192.135 where: short stacking energy: -166.266 Base-Backbone interact. energy: 1.949 local terms energy: -400.472212 where: bonds (distance) C4'-P energy: -140.602 bonds (distance) P-C4' energy: -102.623 flat angles C4'-P-C4' energy: -105.953 flat angles P-C4'-P energy: -58.752 tors. eta vs tors. theta energy: 7.457 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: 1, replica: 3 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2100.448653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.448653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.448653 (E_RNA) where: Base-Base interactions energy: -1371.679 where: short stacking energy: -649.131 Base-Backbone interact. energy: -0.445 local terms energy: -728.324883 where: bonds (distance) C4'-P energy: -152.874 bonds (distance) P-C4' energy: -149.611 flat angles C4'-P-C4' energy: -160.967 flat angles P-C4'-P energy: -97.425 tors. eta vs tors. theta energy: -167.448 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: 6 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1918.203378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.203378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.203378 (E_RNA) where: Base-Base interactions energy: -1229.370 where: short stacking energy: -577.044 Base-Backbone interact. energy: -4.080 local terms energy: -684.752596 where: bonds (distance) C4'-P energy: -138.337 bonds (distance) P-C4' energy: -156.264 flat angles C4'-P-C4' energy: -148.413 flat angles P-C4'-P energy: -106.167 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: 3, replica: 7 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1763.911781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.911781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.911781 (E_RNA) where: Base-Base interactions energy: -1098.410 where: short stacking energy: -566.505 Base-Backbone interact. energy: -4.273 local terms energy: -661.228216 where: bonds (distance) C4'-P energy: -122.786 bonds (distance) P-C4' energy: -150.527 flat angles C4'-P-C4' energy: -149.711 flat angles P-C4'-P energy: -88.793 tors. eta vs tors. theta energy: -149.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1541.461981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.461981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.461981 (E_RNA) where: Base-Base interactions energy: -902.272 where: short stacking energy: -506.025 Base-Backbone interact. energy: -2.461 local terms energy: -636.728657 where: bonds (distance) C4'-P energy: -111.732 bonds (distance) P-C4' energy: -143.287 flat angles C4'-P-C4' energy: -148.624 flat angles P-C4'-P energy: -97.286 tors. eta vs tors. theta energy: -135.800 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: 5, replica: 4 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1477.657011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.657011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.657011 (E_RNA) where: Base-Base interactions energy: -894.044 where: short stacking energy: -442.869 Base-Backbone interact. energy: -1.524 local terms energy: -582.088902 where: bonds (distance) C4'-P energy: -126.893 bonds (distance) P-C4' energy: -150.099 flat angles C4'-P-C4' energy: -144.344 flat angles P-C4'-P energy: -84.503 tors. eta vs tors. theta energy: -76.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1172.074906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.074906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.074906 (E_RNA) where: Base-Base interactions energy: -675.023 where: short stacking energy: -389.018 Base-Backbone interact. energy: 4.441 local terms energy: -501.493644 where: bonds (distance) C4'-P energy: -128.326 bonds (distance) P-C4' energy: -129.672 flat angles C4'-P-C4' energy: -138.595 flat angles P-C4'-P energy: -54.798 tors. eta vs tors. theta energy: -50.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1156.716822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.716822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.716822 (E_RNA) where: Base-Base interactions energy: -634.831 where: short stacking energy: -298.284 Base-Backbone interact. energy: -3.376 local terms energy: -518.510013 where: bonds (distance) C4'-P energy: -120.712 bonds (distance) P-C4' energy: -135.337 flat angles C4'-P-C4' energy: -129.039 flat angles P-C4'-P energy: -75.526 tors. eta vs tors. theta energy: -57.897 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: 38 Temperature: 1.250000 Total energy: -896.792737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.792737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.792737 (E_RNA) where: Base-Base interactions energy: -416.140 where: short stacking energy: -251.797 Base-Backbone interact. energy: -3.006 local terms energy: -477.646437 where: bonds (distance) C4'-P energy: -128.767 bonds (distance) P-C4' energy: -145.635 flat angles C4'-P-C4' energy: -125.712 flat angles P-C4'-P energy: -57.234 tors. eta vs tors. theta energy: -20.298 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: 9, replica: 10 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -632.529318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.529318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.529318 (E_RNA) where: Base-Base interactions energy: -209.323 where: short stacking energy: -192.893 Base-Backbone interact. energy: -0.858 local terms energy: -422.348120 where: bonds (distance) C4'-P energy: -105.085 bonds (distance) P-C4' energy: -133.157 flat angles C4'-P-C4' energy: -123.287 flat angles P-C4'-P energy: -73.123 tors. eta vs tors. theta energy: 12.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -594.061131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.061131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.061131 (E_RNA) where: Base-Base interactions energy: -221.275 where: short stacking energy: -180.437 Base-Backbone interact. energy: 5.654 local terms energy: -378.440560 where: bonds (distance) C4'-P energy: -110.703 bonds (distance) P-C4' energy: -132.044 flat angles C4'-P-C4' energy: -95.749 flat angles P-C4'-P energy: -67.252 tors. eta vs tors. theta energy: 27.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2141.917258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.917258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.917258 (E_RNA) where: Base-Base interactions energy: -1370.207 where: short stacking energy: -637.512 Base-Backbone interact. energy: -0.606 local terms energy: -771.104620 where: bonds (distance) C4'-P energy: -162.226 bonds (distance) P-C4' energy: -153.690 flat angles C4'-P-C4' energy: -167.729 flat angles P-C4'-P energy: -114.966 tors. eta vs tors. theta energy: -172.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1962.542641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.542641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.542641 (E_RNA) where: Base-Base interactions energy: -1247.337 where: short stacking energy: -592.747 Base-Backbone interact. energy: 3.132 local terms energy: -718.338095 where: bonds (distance) C4'-P energy: -152.938 bonds (distance) P-C4' energy: -151.287 flat angles C4'-P-C4' energy: -149.981 flat angles P-C4'-P energy: -115.109 tors. eta vs tors. theta energy: -149.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1776.059145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.059145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.059145 (E_RNA) where: Base-Base interactions energy: -1115.741 where: short stacking energy: -580.119 Base-Backbone interact. energy: -1.719 local terms energy: -658.599859 where: bonds (distance) C4'-P energy: -135.131 bonds (distance) P-C4' energy: -140.590 flat angles C4'-P-C4' energy: -144.478 flat angles P-C4'-P energy: -105.867 tors. eta vs tors. theta energy: -132.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1549.733328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.733328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.733328 (E_RNA) where: Base-Base interactions energy: -952.051 where: short stacking energy: -511.337 Base-Backbone interact. energy: 0.942 local terms energy: -598.624821 where: bonds (distance) C4'-P energy: -115.996 bonds (distance) P-C4' energy: -138.121 flat angles C4'-P-C4' energy: -152.383 flat angles P-C4'-P energy: -89.281 tors. eta vs tors. theta energy: -102.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1533.271499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.271499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.271499 (E_RNA) where: Base-Base interactions energy: -934.959 where: short stacking energy: -472.017 Base-Backbone interact. energy: -3.695 local terms energy: -594.618041 where: bonds (distance) C4'-P energy: -146.504 bonds (distance) P-C4' energy: -135.857 flat angles C4'-P-C4' energy: -122.458 flat angles P-C4'-P energy: -102.697 tors. eta vs tors. theta energy: -87.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1262.478851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.478851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.478851 (E_RNA) where: Base-Base interactions energy: -698.012 where: short stacking energy: -346.797 Base-Backbone interact. energy: -1.969 local terms energy: -562.497405 where: bonds (distance) C4'-P energy: -130.805 bonds (distance) P-C4' energy: -146.919 flat angles C4'-P-C4' energy: -132.512 flat angles P-C4'-P energy: -89.865 tors. eta vs tors. theta energy: -62.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1260.817659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.817659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.817659 (E_RNA) where: Base-Base interactions energy: -735.891 where: short stacking energy: -381.777 Base-Backbone interact. energy: -2.197 local terms energy: -522.730034 where: bonds (distance) C4'-P energy: -134.661 bonds (distance) P-C4' energy: -144.367 flat angles C4'-P-C4' energy: -107.886 flat angles P-C4'-P energy: -80.902 tors. eta vs tors. theta energy: -54.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -916.677777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.677777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.677777 (E_RNA) where: Base-Base interactions energy: -465.766 where: short stacking energy: -298.691 Base-Backbone interact. energy: 6.670 local terms energy: -457.581805 where: bonds (distance) C4'-P energy: -122.102 bonds (distance) P-C4' energy: -124.642 flat angles C4'-P-C4' energy: -96.446 flat angles P-C4'-P energy: -84.660 tors. eta vs tors. theta energy: -29.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -644.886389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.886389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.886389 (E_RNA) where: Base-Base interactions energy: -220.887 where: short stacking energy: -183.418 Base-Backbone interact. energy: -1.217 local terms energy: -422.781929 where: bonds (distance) C4'-P energy: -118.578 bonds (distance) P-C4' energy: -126.994 flat angles C4'-P-C4' energy: -121.674 flat angles P-C4'-P energy: -65.907 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: 10, replica: 9 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -571.407601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.407601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.407601 (E_RNA) where: Base-Base interactions energy: -185.576 where: short stacking energy: -124.413 Base-Backbone interact. energy: -4.179 local terms energy: -381.653414 where: bonds (distance) C4'-P energy: -116.760 bonds (distance) P-C4' energy: -131.579 flat angles C4'-P-C4' energy: -104.173 flat angles P-C4'-P energy: -70.706 tors. eta vs tors. theta energy: 41.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2178.039154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.039154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.039154 (E_RNA) where: Base-Base interactions energy: -1419.039 where: short stacking energy: -643.173 Base-Backbone interact. energy: -0.322 local terms energy: -758.677549 where: bonds (distance) C4'-P energy: -145.398 bonds (distance) P-C4' energy: -154.605 flat angles C4'-P-C4' energy: -159.636 flat angles P-C4'-P energy: -112.583 tors. eta vs tors. theta energy: -186.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1962.504472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.504472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.504472 (E_RNA) where: Base-Base interactions energy: -1233.583 where: short stacking energy: -602.421 Base-Backbone interact. energy: -1.939 local terms energy: -726.983073 where: bonds (distance) C4'-P energy: -157.634 bonds (distance) P-C4' energy: -162.911 flat angles C4'-P-C4' energy: -159.153 flat angles P-C4'-P energy: -87.694 tors. eta vs tors. theta energy: -159.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1781.112315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.112315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.112315 (E_RNA) where: Base-Base interactions energy: -1106.109 where: short stacking energy: -543.902 Base-Backbone interact. energy: -2.539 local terms energy: -672.463833 where: bonds (distance) C4'-P energy: -143.311 bonds (distance) P-C4' energy: -143.867 flat angles C4'-P-C4' energy: -148.573 flat angles P-C4'-P energy: -90.390 tors. eta vs tors. theta energy: -146.324 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: 5 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1529.788336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.788336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.788336 (E_RNA) where: Base-Base interactions energy: -877.803 where: short stacking energy: -498.405 Base-Backbone interact. energy: -0.870 local terms energy: -651.115787 where: bonds (distance) C4'-P energy: -146.751 bonds (distance) P-C4' energy: -143.858 flat angles C4'-P-C4' energy: -127.650 flat angles P-C4'-P energy: -104.153 tors. eta vs tors. theta energy: -128.704 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: 4 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1556.115457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.115457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.115457 (E_RNA) where: Base-Base interactions energy: -970.263 where: short stacking energy: -476.497 Base-Backbone interact. energy: -1.005 local terms energy: -584.846801 where: bonds (distance) C4'-P energy: -128.477 bonds (distance) P-C4' energy: -137.345 flat angles C4'-P-C4' energy: -135.524 flat angles P-C4'-P energy: -83.834 tors. eta vs tors. theta energy: -99.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1247.530836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.530836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.530836 (E_RNA) where: Base-Base interactions energy: -704.187 where: short stacking energy: -354.619 Base-Backbone interact. energy: -1.125 local terms energy: -542.219588 where: bonds (distance) C4'-P energy: -127.355 bonds (distance) P-C4' energy: -131.256 flat angles C4'-P-C4' energy: -136.804 flat angles P-C4'-P energy: -86.151 tors. eta vs tors. theta energy: -60.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1154.371311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.371311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.371311 (E_RNA) where: Base-Base interactions energy: -640.521 where: short stacking energy: -314.697 Base-Backbone interact. energy: -0.574 local terms energy: -513.276858 where: bonds (distance) C4'-P energy: -126.617 bonds (distance) P-C4' energy: -133.576 flat angles C4'-P-C4' energy: -132.292 flat angles P-C4'-P energy: -71.029 tors. eta vs tors. theta energy: -49.763 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: 8 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -943.817956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.817956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.817956 (E_RNA) where: Base-Base interactions energy: -471.173 where: short stacking energy: -259.440 Base-Backbone interact. energy: 0.668 local terms energy: -473.313223 where: bonds (distance) C4'-P energy: -128.720 bonds (distance) P-C4' energy: -136.634 flat angles C4'-P-C4' energy: -117.562 flat angles P-C4'-P energy: -71.787 tors. eta vs tors. theta energy: -18.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -659.318132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.318132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.318132 (E_RNA) where: Base-Base interactions energy: -260.708 where: short stacking energy: -217.774 Base-Backbone interact. energy: 1.107 local terms energy: -399.717035 where: bonds (distance) C4'-P energy: -100.724 bonds (distance) P-C4' energy: -134.558 flat angles C4'-P-C4' energy: -116.630 flat angles P-C4'-P energy: -47.687 tors. eta vs tors. theta energy: -0.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -581.094858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.094858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.094858 (E_RNA) where: Base-Base interactions energy: -203.238 where: short stacking energy: -161.119 Base-Backbone interact. energy: 1.832 local terms energy: -379.689112 where: bonds (distance) C4'-P energy: -107.525 bonds (distance) P-C4' energy: -133.607 flat angles C4'-P-C4' energy: -106.343 flat angles P-C4'-P energy: -60.593 tors. eta vs tors. theta energy: 28.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2177.845339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.845339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.845339 (E_RNA) where: Base-Base interactions energy: -1422.935 where: short stacking energy: -677.187 Base-Backbone interact. energy: -2.407 local terms energy: -752.504046 where: bonds (distance) C4'-P energy: -138.264 bonds (distance) P-C4' energy: -148.087 flat angles C4'-P-C4' energy: -163.459 flat angles P-C4'-P energy: -109.055 tors. eta vs tors. theta energy: -193.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1945.304236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.304236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.304236 (E_RNA) where: Base-Base interactions energy: -1253.163 where: short stacking energy: -613.155 Base-Backbone interact. energy: -1.794 local terms energy: -690.347019 where: bonds (distance) C4'-P energy: -144.224 bonds (distance) P-C4' energy: -142.534 flat angles C4'-P-C4' energy: -159.516 flat angles P-C4'-P energy: -98.194 tors. eta vs tors. theta energy: -145.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1798.573110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.573110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.573110 (E_RNA) where: Base-Base interactions energy: -1132.418 where: short stacking energy: -557.419 Base-Backbone interact. energy: -1.363 local terms energy: -664.792064 where: bonds (distance) C4'-P energy: -125.660 bonds (distance) P-C4' energy: -155.545 flat angles C4'-P-C4' energy: -149.508 flat angles P-C4'-P energy: -100.610 tors. eta vs tors. theta energy: -133.469 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: 5 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1577.612060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.612060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.612060 (E_RNA) where: Base-Base interactions energy: -979.277 where: short stacking energy: -525.704 Base-Backbone interact. energy: -2.239 local terms energy: -596.095493 where: bonds (distance) C4'-P energy: -128.598 bonds (distance) P-C4' energy: -134.171 flat angles C4'-P-C4' energy: -125.701 flat angles P-C4'-P energy: -84.585 tors. eta vs tors. theta energy: -123.040 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: 41 Temperature: 1.100000 Total energy: -1540.699174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.699174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.699174 (E_RNA) where: Base-Base interactions energy: -970.102 where: short stacking energy: -468.880 Base-Backbone interact. energy: 0.537 local terms energy: -571.134180 where: bonds (distance) C4'-P energy: -109.250 bonds (distance) P-C4' energy: -137.810 flat angles C4'-P-C4' energy: -138.494 flat angles P-C4'-P energy: -95.252 tors. eta vs tors. theta energy: -90.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1258.316797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.316797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.316797 (E_RNA) where: Base-Base interactions energy: -723.476 where: short stacking energy: -410.372 Base-Backbone interact. energy: -2.924 local terms energy: -531.915986 where: bonds (distance) C4'-P energy: -117.342 bonds (distance) P-C4' energy: -124.991 flat angles C4'-P-C4' energy: -129.269 flat angles P-C4'-P energy: -79.453 tors. eta vs tors. theta energy: -80.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1166.264193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.264193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.264193 (E_RNA) where: Base-Base interactions energy: -673.039 where: short stacking energy: -336.856 Base-Backbone interact. energy: 0.570 local terms energy: -493.795921 where: bonds (distance) C4'-P energy: -108.250 bonds (distance) P-C4' energy: -124.249 flat angles C4'-P-C4' energy: -129.540 flat angles P-C4'-P energy: -75.415 tors. eta vs tors. theta energy: -56.342 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: 8 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1007.137098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.137098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.137098 (E_RNA) where: Base-Base interactions energy: -549.539 where: short stacking energy: -286.564 Base-Backbone interact. energy: -0.153 local terms energy: -457.445400 where: bonds (distance) C4'-P energy: -116.476 bonds (distance) P-C4' energy: -120.501 flat angles C4'-P-C4' energy: -108.493 flat angles P-C4'-P energy: -75.694 tors. eta vs tors. theta energy: -36.282 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: 9 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -683.628759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.628759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.628759 (E_RNA) where: Base-Base interactions energy: -268.793 where: short stacking energy: -167.966 Base-Backbone interact. energy: 1.960 local terms energy: -416.795915 where: bonds (distance) C4'-P energy: -118.832 bonds (distance) P-C4' energy: -144.296 flat angles C4'-P-C4' energy: -105.707 flat angles P-C4'-P energy: -63.607 tors. eta vs tors. theta energy: 15.647 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: 10 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -563.419063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.419063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.419063 (E_RNA) where: Base-Base interactions energy: -196.804 where: short stacking energy: -161.413 Base-Backbone interact. energy: -1.769 local terms energy: -364.846133 where: bonds (distance) C4'-P energy: -109.483 bonds (distance) P-C4' energy: -136.655 flat angles C4'-P-C4' energy: -83.457 flat angles P-C4'-P energy: -67.449 tors. eta vs tors. theta energy: 32.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2200.117674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.117674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.117674 (E_RNA) where: Base-Base interactions energy: -1436.190 where: short stacking energy: -672.733 Base-Backbone interact. energy: -2.273 local terms energy: -761.654484 where: bonds (distance) C4'-P energy: -141.500 bonds (distance) P-C4' energy: -151.252 flat angles C4'-P-C4' energy: -164.872 flat angles P-C4'-P energy: -106.064 tors. eta vs tors. theta energy: -197.966 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: 42 Temperature: 0.950000 Total energy: -2016.974254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.974254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.974254 (E_RNA) where: Base-Base interactions energy: -1302.980 where: short stacking energy: -651.003 Base-Backbone interact. energy: 1.815 local terms energy: -715.808722 where: bonds (distance) C4'-P energy: -139.078 bonds (distance) P-C4' energy: -145.945 flat angles C4'-P-C4' energy: -164.971 flat angles P-C4'-P energy: -105.084 tors. eta vs tors. theta energy: -160.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1799.311150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.311150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.311150 (E_RNA) where: Base-Base interactions energy: -1131.418 where: short stacking energy: -577.909 Base-Backbone interact. energy: -6.068 local terms energy: -661.825500 where: bonds (distance) C4'-P energy: -137.679 bonds (distance) P-C4' energy: -151.597 flat angles C4'-P-C4' energy: -152.075 flat angles P-C4'-P energy: -78.416 tors. eta vs tors. theta energy: -142.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1568.988859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.988859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.988859 (E_RNA) where: Base-Base interactions energy: -941.622 where: short stacking energy: -492.758 Base-Backbone interact. energy: -0.890 local terms energy: -626.476964 where: bonds (distance) C4'-P energy: -129.298 bonds (distance) P-C4' energy: -146.112 flat angles C4'-P-C4' energy: -145.836 flat angles P-C4'-P energy: -97.752 tors. eta vs tors. theta energy: -107.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1548.754029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.754029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.754029 (E_RNA) where: Base-Base interactions energy: -969.398 where: short stacking energy: -473.217 Base-Backbone interact. energy: -1.197 local terms energy: -578.158715 where: bonds (distance) C4'-P energy: -127.149 bonds (distance) P-C4' energy: -140.431 flat angles C4'-P-C4' energy: -134.905 flat angles P-C4'-P energy: -68.963 tors. eta vs tors. theta energy: -106.711 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: 6, replica: 2 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1301.127595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.127595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.127595 (E_RNA) where: Base-Base interactions energy: -774.248 where: short stacking energy: -368.365 Base-Backbone interact. energy: 0.784 local terms energy: -527.663701 where: bonds (distance) C4'-P energy: -125.773 bonds (distance) P-C4' energy: -133.706 flat angles C4'-P-C4' energy: -133.533 flat angles P-C4'-P energy: -77.399 tors. eta vs tors. theta energy: -57.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1242.717043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.717043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.717043 (E_RNA) where: Base-Base interactions energy: -699.687 where: short stacking energy: -384.461 Base-Backbone interact. energy: 0.747 local terms energy: -543.777744 where: bonds (distance) C4'-P energy: -127.902 bonds (distance) P-C4' energy: -140.900 flat angles C4'-P-C4' energy: -125.248 flat angles P-C4'-P energy: -87.948 tors. eta vs tors. theta energy: -61.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1078.795317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.795317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.795317 (E_RNA) where: Base-Base interactions energy: -585.288 where: short stacking energy: -317.919 Base-Backbone interact. energy: -2.505 local terms energy: -491.002271 where: bonds (distance) C4'-P energy: -115.885 bonds (distance) P-C4' energy: -135.984 flat angles C4'-P-C4' energy: -127.174 flat angles P-C4'-P energy: -71.364 tors. eta vs tors. theta energy: -40.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -723.670356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.670356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.670356 (E_RNA) where: Base-Base interactions energy: -309.827 where: short stacking energy: -228.366 Base-Backbone interact. energy: 0.870 local terms energy: -414.712587 where: bonds (distance) C4'-P energy: -113.392 bonds (distance) P-C4' energy: -137.477 flat angles C4'-P-C4' energy: -88.858 flat angles P-C4'-P energy: -65.829 tors. eta vs tors. theta energy: -9.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -574.980862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.980862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.980862 (E_RNA) where: Base-Base interactions energy: -189.500 where: short stacking energy: -158.148 Base-Backbone interact. energy: -1.506 local terms energy: -383.974430 where: bonds (distance) C4'-P energy: -121.998 bonds (distance) P-C4' energy: -120.403 flat angles C4'-P-C4' energy: -95.436 flat angles P-C4'-P energy: -71.359 tors. eta vs tors. theta energy: 25.222 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: 3 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2216.663345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.663345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.663345 (E_RNA) where: Base-Base interactions energy: -1439.558 where: short stacking energy: -685.801 Base-Backbone interact. energy: -0.862 local terms energy: -776.242991 where: bonds (distance) C4'-P energy: -158.320 bonds (distance) P-C4' energy: -158.320 flat angles C4'-P-C4' energy: -169.346 flat angles P-C4'-P energy: -109.288 tors. eta vs tors. theta energy: -180.970 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: 6 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1971.724780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.724780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.724780 (E_RNA) where: Base-Base interactions energy: -1265.265 where: short stacking energy: -613.333 Base-Backbone interact. energy: 0.864 local terms energy: -707.324418 where: bonds (distance) C4'-P energy: -137.698 bonds (distance) P-C4' energy: -143.387 flat angles C4'-P-C4' energy: -161.635 flat angles P-C4'-P energy: -104.359 tors. eta vs tors. theta energy: -160.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1811.402366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.402366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.402366 (E_RNA) where: Base-Base interactions energy: -1118.326 where: short stacking energy: -521.266 Base-Backbone interact. energy: -1.704 local terms energy: -691.373021 where: bonds (distance) C4'-P energy: -145.789 bonds (distance) P-C4' energy: -154.500 flat angles C4'-P-C4' energy: -154.296 flat angles P-C4'-P energy: -95.505 tors. eta vs tors. theta energy: -141.283 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: 4, replica: 4 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1729.026130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.026130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.026130 (E_RNA) where: Base-Base interactions energy: -1084.737 where: short stacking energy: -518.578 Base-Backbone interact. energy: -3.019 local terms energy: -641.270795 where: bonds (distance) C4'-P energy: -128.425 bonds (distance) P-C4' energy: -155.808 flat angles C4'-P-C4' energy: -151.515 flat angles P-C4'-P energy: -98.445 tors. eta vs tors. theta energy: -107.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1468.436896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.436896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.436896 (E_RNA) where: Base-Base interactions energy: -877.176 where: short stacking energy: -453.884 Base-Backbone interact. energy: 1.341 local terms energy: -592.601965 where: bonds (distance) C4'-P energy: -123.552 bonds (distance) P-C4' energy: -150.816 flat angles C4'-P-C4' energy: -130.248 flat angles P-C4'-P energy: -79.542 tors. eta vs tors. theta energy: -108.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1344.025507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.025507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.025507 (E_RNA) where: Base-Base interactions energy: -804.056 where: short stacking energy: -419.278 Base-Backbone interact. energy: 5.039 local terms energy: -545.008355 where: bonds (distance) C4'-P energy: -131.309 bonds (distance) P-C4' energy: -134.832 flat angles C4'-P-C4' energy: -137.674 flat angles P-C4'-P energy: -78.671 tors. eta vs tors. theta energy: -62.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1243.886820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.886820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.886820 (E_RNA) where: Base-Base interactions energy: -713.828 where: short stacking energy: -371.219 Base-Backbone interact. energy: -0.913 local terms energy: -529.145854 where: bonds (distance) C4'-P energy: -115.653 bonds (distance) P-C4' energy: -136.305 flat angles C4'-P-C4' energy: -142.067 flat angles P-C4'-P energy: -80.878 tors. eta vs tors. theta energy: -54.243 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: 8 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1074.765882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.765882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.765882 (E_RNA) where: Base-Base interactions energy: -579.893 where: short stacking energy: -305.691 Base-Backbone interact. energy: -2.606 local terms energy: -492.266688 where: bonds (distance) C4'-P energy: -125.162 bonds (distance) P-C4' energy: -138.195 flat angles C4'-P-C4' energy: -118.493 flat angles P-C4'-P energy: -81.300 tors. eta vs tors. theta energy: -29.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -794.466394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.466394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.466394 (E_RNA) where: Base-Base interactions energy: -378.784 where: short stacking energy: -248.776 Base-Backbone interact. energy: -0.056 local terms energy: -415.626255 where: bonds (distance) C4'-P energy: -117.021 bonds (distance) P-C4' energy: -138.703 flat angles C4'-P-C4' energy: -80.102 flat angles P-C4'-P energy: -59.970 tors. eta vs tors. theta energy: -19.830 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: 10 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -615.451639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.451639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.451639 (E_RNA) where: Base-Base interactions energy: -239.873 where: short stacking energy: -194.257 Base-Backbone interact. energy: 6.409 local terms energy: -381.987189 where: bonds (distance) C4'-P energy: -109.848 bonds (distance) P-C4' energy: -121.385 flat angles C4'-P-C4' energy: -104.463 flat angles P-C4'-P energy: -58.328 tors. eta vs tors. theta energy: 12.036 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: 3 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2248.113254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.113254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.113254 (E_RNA) where: Base-Base interactions energy: -1471.488 where: short stacking energy: -673.857 Base-Backbone interact. energy: 0.439 local terms energy: -777.064192 where: bonds (distance) C4'-P energy: -139.358 bonds (distance) P-C4' energy: -155.715 flat angles C4'-P-C4' energy: -176.105 flat angles P-C4'-P energy: -114.945 tors. eta vs tors. theta energy: -190.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2040.779167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.779167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.779167 (E_RNA) where: Base-Base interactions energy: -1298.992 where: short stacking energy: -649.079 Base-Backbone interact. energy: -2.201 local terms energy: -739.587018 where: bonds (distance) C4'-P energy: -144.995 bonds (distance) P-C4' energy: -152.264 flat angles C4'-P-C4' energy: -164.896 flat angles P-C4'-P energy: -119.036 tors. eta vs tors. theta energy: -158.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1844.191577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.191577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.191577 (E_RNA) where: Base-Base interactions energy: -1169.468 where: short stacking energy: -567.396 Base-Backbone interact. energy: -3.013 local terms energy: -671.710625 where: bonds (distance) C4'-P energy: -127.116 bonds (distance) P-C4' energy: -143.388 flat angles C4'-P-C4' energy: -154.467 flat angles P-C4'-P energy: -105.959 tors. eta vs tors. theta energy: -140.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1753.428500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.428500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.428500 (E_RNA) where: Base-Base interactions energy: -1093.509 where: short stacking energy: -499.732 Base-Backbone interact. energy: 0.463 local terms energy: -660.382615 where: bonds (distance) C4'-P energy: -133.339 bonds (distance) P-C4' energy: -145.217 flat angles C4'-P-C4' energy: -146.285 flat angles P-C4'-P energy: -107.912 tors. eta vs tors. theta energy: -127.630 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: 5 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1439.241932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.241932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.241932 (E_RNA) where: Base-Base interactions energy: -849.021 where: short stacking energy: -447.011 Base-Backbone interact. energy: -1.654 local terms energy: -588.566848 where: bonds (distance) C4'-P energy: -130.638 bonds (distance) P-C4' energy: -134.226 flat angles C4'-P-C4' energy: -132.998 flat angles P-C4'-P energy: -98.145 tors. eta vs tors. theta energy: -92.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1321.956640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.956640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.956640 (E_RNA) where: Base-Base interactions energy: -786.488 where: short stacking energy: -373.832 Base-Backbone interact. energy: -0.171 local terms energy: -535.297961 where: bonds (distance) C4'-P energy: -138.734 bonds (distance) P-C4' energy: -133.458 flat angles C4'-P-C4' energy: -138.850 flat angles P-C4'-P energy: -67.053 tors. eta vs tors. theta energy: -57.203 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: 1 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1214.834626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.834626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.834626 (E_RNA) where: Base-Base interactions energy: -721.261 where: short stacking energy: -361.062 Base-Backbone interact. energy: 2.946 local terms energy: -496.519749 where: bonds (distance) C4'-P energy: -119.604 bonds (distance) P-C4' energy: -140.612 flat angles C4'-P-C4' energy: -130.654 flat angles P-C4'-P energy: -48.853 tors. eta vs tors. theta energy: -56.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -1151.640506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.640506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.640506 (E_RNA) where: Base-Base interactions energy: -656.730 where: short stacking energy: -354.044 Base-Backbone interact. energy: -1.959 local terms energy: -492.951357 where: bonds (distance) C4'-P energy: -125.313 bonds (distance) P-C4' energy: -132.134 flat angles C4'-P-C4' energy: -115.605 flat angles P-C4'-P energy: -65.325 tors. eta vs tors. theta energy: -54.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -745.445033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.445033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.445033 (E_RNA) where: Base-Base interactions energy: -314.620 where: short stacking energy: -209.265 Base-Backbone interact. energy: -1.423 local terms energy: -429.401767 where: bonds (distance) C4'-P energy: -110.270 bonds (distance) P-C4' energy: -130.742 flat angles C4'-P-C4' energy: -108.867 flat angles P-C4'-P energy: -71.845 tors. eta vs tors. theta energy: -7.679 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: 10, replica: 10 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -670.261776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.261776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.261776 (E_RNA) where: Base-Base interactions energy: -310.883 where: short stacking energy: -203.523 Base-Backbone interact. energy: -0.529 local terms energy: -358.849621 where: bonds (distance) C4'-P energy: -95.339 bonds (distance) P-C4' energy: -129.419 flat angles C4'-P-C4' energy: -95.934 flat angles P-C4'-P energy: -56.780 tors. eta vs tors. theta energy: 18.622 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: 3 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2198.377019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.377019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.377019 (E_RNA) where: Base-Base interactions energy: -1428.822 where: short stacking energy: -661.101 Base-Backbone interact. energy: -2.210 local terms energy: -767.345343 where: bonds (distance) C4'-P energy: -138.803 bonds (distance) P-C4' energy: -156.672 flat angles C4'-P-C4' energy: -172.069 flat angles P-C4'-P energy: -110.058 tors. eta vs tors. theta energy: -189.743 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: 6 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2000.014703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.014703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.014703 (E_RNA) where: Base-Base interactions energy: -1270.229 where: short stacking energy: -617.441 Base-Backbone interact. energy: 1.589 local terms energy: -731.375304 where: bonds (distance) C4'-P energy: -150.615 bonds (distance) P-C4' energy: -153.472 flat angles C4'-P-C4' energy: -166.162 flat angles P-C4'-P energy: -106.032 tors. eta vs tors. theta energy: -155.094 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: 7 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1860.739930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.739930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.739930 (E_RNA) where: Base-Base interactions energy: -1188.005 where: short stacking energy: -572.596 Base-Backbone interact. energy: -1.082 local terms energy: -671.653383 where: bonds (distance) C4'-P energy: -148.127 bonds (distance) P-C4' energy: -134.611 flat angles C4'-P-C4' energy: -143.084 flat angles P-C4'-P energy: -92.094 tors. eta vs tors. theta energy: -153.737 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: 4 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1801.078774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.078774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.078774 (E_RNA) where: Base-Base interactions energy: -1129.712 where: short stacking energy: -541.160 Base-Backbone interact. energy: -2.340 local terms energy: -669.026189 where: bonds (distance) C4'-P energy: -132.094 bonds (distance) P-C4' energy: -165.758 flat angles C4'-P-C4' energy: -148.249 flat angles P-C4'-P energy: -90.390 tors. eta vs tors. theta energy: -132.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1408.945387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.945387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.945387 (E_RNA) where: Base-Base interactions energy: -838.240 where: short stacking energy: -444.092 Base-Backbone interact. energy: -0.934 local terms energy: -569.771914 where: bonds (distance) C4'-P energy: -117.878 bonds (distance) P-C4' energy: -131.602 flat angles C4'-P-C4' energy: -133.920 flat angles P-C4'-P energy: -77.496 tors. eta vs tors. theta energy: -108.875 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: 45 Temperature: 1.150000 Total energy: -1308.240523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.240523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.240523 (E_RNA) where: Base-Base interactions energy: -773.122 where: short stacking energy: -386.150 Base-Backbone interact. energy: -2.517 local terms energy: -532.600944 where: bonds (distance) C4'-P energy: -113.195 bonds (distance) P-C4' energy: -131.198 flat angles C4'-P-C4' energy: -137.175 flat angles P-C4'-P energy: -88.213 tors. eta vs tors. theta energy: -62.821 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: 45 Temperature: 1.200000 Total energy: -1106.638673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.638673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.638673 (E_RNA) where: Base-Base interactions energy: -612.555 where: short stacking energy: -333.246 Base-Backbone interact. energy: -0.468 local terms energy: -493.616022 where: bonds (distance) C4'-P energy: -107.924 bonds (distance) P-C4' energy: -124.635 flat angles C4'-P-C4' energy: -120.280 flat angles P-C4'-P energy: -74.814 tors. eta vs tors. theta energy: -65.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -979.777722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.777722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.777722 (E_RNA) where: Base-Base interactions energy: -534.287 where: short stacking energy: -285.132 Base-Backbone interact. energy: 4.752 local terms energy: -450.242773 where: bonds (distance) C4'-P energy: -110.100 bonds (distance) P-C4' energy: -123.780 flat angles C4'-P-C4' energy: -124.624 flat angles P-C4'-P energy: -50.892 tors. eta vs tors. theta energy: -40.847 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: 9 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -745.588862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.588862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.588862 (E_RNA) where: Base-Base interactions energy: -360.482 where: short stacking energy: -213.577 Base-Backbone interact. energy: 1.082 local terms energy: -386.188711 where: bonds (distance) C4'-P energy: -107.329 bonds (distance) P-C4' energy: -122.129 flat angles C4'-P-C4' energy: -102.575 flat angles P-C4'-P energy: -69.384 tors. eta vs tors. theta energy: 15.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -609.084196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.084196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.084196 (E_RNA) where: Base-Base interactions energy: -260.705 where: short stacking energy: -190.230 Base-Backbone interact. energy: -1.745 local terms energy: -346.633512 where: bonds (distance) C4'-P energy: -110.736 bonds (distance) P-C4' energy: -135.516 flat angles C4'-P-C4' energy: -80.827 flat angles P-C4'-P energy: -47.865 tors. eta vs tors. theta energy: 28.310 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: 3 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2239.153910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.153910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.153910 (E_RNA) where: Base-Base interactions energy: -1498.529 where: short stacking energy: -680.498 Base-Backbone interact. energy: -4.787 local terms energy: -735.838257 where: bonds (distance) C4'-P energy: -146.480 bonds (distance) P-C4' energy: -142.099 flat angles C4'-P-C4' energy: -168.746 flat angles P-C4'-P energy: -95.014 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: 2, replica: 6 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2050.988814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.988814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.988814 (E_RNA) where: Base-Base interactions energy: -1332.421 where: short stacking energy: -617.969 Base-Backbone interact. energy: -1.061 local terms energy: -717.507367 where: bonds (distance) C4'-P energy: -140.654 bonds (distance) P-C4' energy: -142.170 flat angles C4'-P-C4' energy: -162.363 flat angles P-C4'-P energy: -108.520 tors. eta vs tors. theta energy: -163.800 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: 7 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1882.046979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.046979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.046979 (E_RNA) where: Base-Base interactions energy: -1217.543 where: short stacking energy: -568.527 Base-Backbone interact. energy: -3.989 local terms energy: -660.515061 where: bonds (distance) C4'-P energy: -123.284 bonds (distance) P-C4' energy: -141.817 flat angles C4'-P-C4' energy: -149.684 flat angles P-C4'-P energy: -95.901 tors. eta vs tors. theta energy: -149.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1771.335348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.335348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.335348 (E_RNA) where: Base-Base interactions energy: -1128.035 where: short stacking energy: -538.428 Base-Backbone interact. energy: 6.583 local terms energy: -649.883255 where: bonds (distance) C4'-P energy: -137.255 bonds (distance) P-C4' energy: -157.496 flat angles C4'-P-C4' energy: -156.811 flat angles P-C4'-P energy: -88.604 tors. eta vs tors. theta energy: -109.718 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: 2 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1389.511689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.511689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.511689 (E_RNA) where: Base-Base interactions energy: -823.933 where: short stacking energy: -425.794 Base-Backbone interact. energy: -2.561 local terms energy: -563.017172 where: bonds (distance) C4'-P energy: -114.945 bonds (distance) P-C4' energy: -136.701 flat angles C4'-P-C4' energy: -142.674 flat angles P-C4'-P energy: -89.420 tors. eta vs tors. theta energy: -79.277 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: 5 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1327.794997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.794997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.794997 (E_RNA) where: Base-Base interactions energy: -753.290 where: short stacking energy: -393.388 Base-Backbone interact. energy: -1.216 local terms energy: -573.288670 where: bonds (distance) C4'-P energy: -123.609 bonds (distance) P-C4' energy: -153.558 flat angles C4'-P-C4' energy: -127.914 flat angles P-C4'-P energy: -77.769 tors. eta vs tors. theta energy: -90.438 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: 1 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1081.522638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.522638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.522638 (E_RNA) where: Base-Base interactions energy: -604.362 where: short stacking energy: -336.751 Base-Backbone interact. energy: -2.109 local terms energy: -475.052563 where: bonds (distance) C4'-P energy: -120.048 bonds (distance) P-C4' energy: -118.591 flat angles C4'-P-C4' energy: -113.334 flat angles P-C4'-P energy: -72.626 tors. eta vs tors. theta energy: -50.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1045.367654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.367654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.367654 (E_RNA) where: Base-Base interactions energy: -588.129 where: short stacking energy: -283.578 Base-Backbone interact. energy: 2.912 local terms energy: -460.150603 where: bonds (distance) C4'-P energy: -117.450 bonds (distance) P-C4' energy: -136.167 flat angles C4'-P-C4' energy: -111.697 flat angles P-C4'-P energy: -71.599 tors. eta vs tors. theta energy: -23.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -739.485194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.485194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.485194 (E_RNA) where: Base-Base interactions energy: -332.484 where: short stacking energy: -216.845 Base-Backbone interact. energy: 3.919 local terms energy: -410.920090 where: bonds (distance) C4'-P energy: -135.218 bonds (distance) P-C4' energy: -116.575 flat angles C4'-P-C4' energy: -91.072 flat angles P-C4'-P energy: -64.400 tors. eta vs tors. theta energy: -3.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -638.481113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.481113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.481113 (E_RNA) where: Base-Base interactions energy: -290.746 where: short stacking energy: -200.913 Base-Backbone interact. energy: 5.843 local terms energy: -353.578100 where: bonds (distance) C4'-P energy: -99.728 bonds (distance) P-C4' energy: -107.846 flat angles C4'-P-C4' energy: -114.133 flat angles P-C4'-P energy: -45.456 tors. eta vs tors. theta energy: 13.586 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: 1, replica: 3 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2278.151303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.151303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.151303 (E_RNA) where: Base-Base interactions energy: -1493.670 where: short stacking energy: -669.465 Base-Backbone interact. energy: -2.672 local terms energy: -781.808929 where: bonds (distance) C4'-P energy: -145.991 bonds (distance) P-C4' energy: -162.092 flat angles C4'-P-C4' energy: -164.861 flat angles P-C4'-P energy: -115.003 tors. eta vs tors. theta energy: -193.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2031.576469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.576469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.576469 (E_RNA) where: Base-Base interactions energy: -1330.105 where: short stacking energy: -615.093 Base-Backbone interact. energy: 1.657 local terms energy: -703.128923 where: bonds (distance) C4'-P energy: -157.613 bonds (distance) P-C4' energy: -159.288 flat angles C4'-P-C4' energy: -157.870 flat angles P-C4'-P energy: -90.978 tors. eta vs tors. theta energy: -137.380 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: 7 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1862.134367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.134367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.134367 (E_RNA) where: Base-Base interactions energy: -1175.008 where: short stacking energy: -533.790 Base-Backbone interact. energy: -3.031 local terms energy: -684.095064 where: bonds (distance) C4'-P energy: -141.359 bonds (distance) P-C4' energy: -155.966 flat angles C4'-P-C4' energy: -145.213 flat angles P-C4'-P energy: -102.727 tors. eta vs tors. theta energy: -138.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1811.343311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.343311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.343311 (E_RNA) where: Base-Base interactions energy: -1177.084 where: short stacking energy: -528.346 Base-Backbone interact. energy: -4.316 local terms energy: -629.943509 where: bonds (distance) C4'-P energy: -126.098 bonds (distance) P-C4' energy: -133.569 flat angles C4'-P-C4' energy: -157.428 flat angles P-C4'-P energy: -86.096 tors. eta vs tors. theta energy: -126.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1425.430184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.430184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.430184 (E_RNA) where: Base-Base interactions energy: -833.622 where: short stacking energy: -433.505 Base-Backbone interact. energy: -3.791 local terms energy: -588.017571 where: bonds (distance) C4'-P energy: -116.560 bonds (distance) P-C4' energy: -149.685 flat angles C4'-P-C4' energy: -143.065 flat angles P-C4'-P energy: -79.013 tors. eta vs tors. theta energy: -99.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1216.126215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.126215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.126215 (E_RNA) where: Base-Base interactions energy: -695.319 where: short stacking energy: -371.344 Base-Backbone interact. energy: -2.416 local terms energy: -518.391181 where: bonds (distance) C4'-P energy: -114.073 bonds (distance) P-C4' energy: -123.514 flat angles C4'-P-C4' energy: -121.149 flat angles P-C4'-P energy: -83.609 tors. eta vs tors. theta energy: -76.046 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: 1 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1088.960313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.960313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.960313 (E_RNA) where: Base-Base interactions energy: -588.755 where: short stacking energy: -312.960 Base-Backbone interact. energy: 0.334 local terms energy: -500.539582 where: bonds (distance) C4'-P energy: -124.225 bonds (distance) P-C4' energy: -137.876 flat angles C4'-P-C4' energy: -132.447 flat angles P-C4'-P energy: -57.332 tors. eta vs tors. theta energy: -48.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1026.130810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.130810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.130810 (E_RNA) where: Base-Base interactions energy: -529.674 where: short stacking energy: -306.970 Base-Backbone interact. energy: 0.008 local terms energy: -496.464249 where: bonds (distance) C4'-P energy: -116.994 bonds (distance) P-C4' energy: -135.094 flat angles C4'-P-C4' energy: -124.795 flat angles P-C4'-P energy: -73.807 tors. eta vs tors. theta energy: -45.774 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: 9 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -728.579363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.579363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.579363 (E_RNA) where: Base-Base interactions energy: -330.688 where: short stacking energy: -205.333 Base-Backbone interact. energy: 5.917 local terms energy: -403.808544 where: bonds (distance) C4'-P energy: -126.917 bonds (distance) P-C4' energy: -119.263 flat angles C4'-P-C4' energy: -99.692 flat angles P-C4'-P energy: -68.225 tors. eta vs tors. theta energy: 10.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -638.230783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.230783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.230783 (E_RNA) where: Base-Base interactions energy: -243.971 where: short stacking energy: -155.623 Base-Backbone interact. energy: -2.611 local terms energy: -391.649378 where: bonds (distance) C4'-P energy: -121.053 bonds (distance) P-C4' energy: -140.182 flat angles C4'-P-C4' energy: -95.983 flat angles P-C4'-P energy: -62.197 tors. eta vs tors. theta energy: 27.766 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: 1, replica: 3 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2267.253968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.253968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.253968 (E_RNA) where: Base-Base interactions energy: -1496.795 where: short stacking energy: -678.949 Base-Backbone interact. energy: -5.065 local terms energy: -765.393806 where: bonds (distance) C4'-P energy: -137.159 bonds (distance) P-C4' energy: -157.357 flat angles C4'-P-C4' energy: -171.239 flat angles P-C4'-P energy: -109.133 tors. eta vs tors. theta energy: -190.506 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: 6 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1996.237505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.237505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.237505 (E_RNA) where: Base-Base interactions energy: -1310.546 where: short stacking energy: -626.215 Base-Backbone interact. energy: -0.725 local terms energy: -684.967324 where: bonds (distance) C4'-P energy: -128.700 bonds (distance) P-C4' energy: -147.358 flat angles C4'-P-C4' energy: -150.578 flat angles P-C4'-P energy: -91.213 tors. eta vs tors. theta energy: -167.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1855.504795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.504795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.504795 (E_RNA) where: Base-Base interactions energy: -1168.402 where: short stacking energy: -548.145 Base-Backbone interact. energy: -2.564 local terms energy: -684.539125 where: bonds (distance) C4'-P energy: -136.454 bonds (distance) P-C4' energy: -163.666 flat angles C4'-P-C4' energy: -158.821 flat angles P-C4'-P energy: -92.323 tors. eta vs tors. theta energy: -133.275 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: 4, replica: 4 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1814.063436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.063436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.063436 (E_RNA) where: Base-Base interactions energy: -1177.870 where: short stacking energy: -543.200 Base-Backbone interact. energy: -4.177 local terms energy: -632.016411 where: bonds (distance) C4'-P energy: -138.496 bonds (distance) P-C4' energy: -136.574 flat angles C4'-P-C4' energy: -133.860 flat angles P-C4'-P energy: -89.463 tors. eta vs tors. theta energy: -133.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1448.831505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.831505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.831505 (E_RNA) where: Base-Base interactions energy: -887.712 where: short stacking energy: -452.246 Base-Backbone interact. energy: -3.194 local terms energy: -557.925257 where: bonds (distance) C4'-P energy: -125.019 bonds (distance) P-C4' energy: -136.324 flat angles C4'-P-C4' energy: -134.485 flat angles P-C4'-P energy: -83.406 tors. eta vs tors. theta energy: -78.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1240.494580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.494580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.494580 (E_RNA) where: Base-Base interactions energy: -718.990 where: short stacking energy: -380.191 Base-Backbone interact. energy: -0.854 local terms energy: -520.651146 where: bonds (distance) C4'-P energy: -125.210 bonds (distance) P-C4' energy: -136.207 flat angles C4'-P-C4' energy: -116.141 flat angles P-C4'-P energy: -63.764 tors. eta vs tors. theta energy: -79.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1178.037688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.037688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.037688 (E_RNA) where: Base-Base interactions energy: -640.245 where: short stacking energy: -345.439 Base-Backbone interact. energy: 1.227 local terms energy: -539.019542 where: bonds (distance) C4'-P energy: -122.187 bonds (distance) P-C4' energy: -150.805 flat angles C4'-P-C4' energy: -141.909 flat angles P-C4'-P energy: -67.192 tors. eta vs tors. theta energy: -56.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -921.317824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.317824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.317824 (E_RNA) where: Base-Base interactions energy: -482.537 where: short stacking energy: -276.932 Base-Backbone interact. energy: 0.445 local terms energy: -439.225668 where: bonds (distance) C4'-P energy: -112.628 bonds (distance) P-C4' energy: -124.780 flat angles C4'-P-C4' energy: -122.569 flat angles P-C4'-P energy: -60.114 tors. eta vs tors. theta energy: -19.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -803.828401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.828401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.828401 (E_RNA) where: Base-Base interactions energy: -380.608 where: short stacking energy: -231.314 Base-Backbone interact. energy: 2.342 local terms energy: -425.562509 where: bonds (distance) C4'-P energy: -127.453 bonds (distance) P-C4' energy: -137.880 flat angles C4'-P-C4' energy: -119.843 flat angles P-C4'-P energy: -56.695 tors. eta vs tors. theta energy: 16.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -661.407894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.407894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.407894 (E_RNA) where: Base-Base interactions energy: -268.655 where: short stacking energy: -172.858 Base-Backbone interact. energy: 4.142 local terms energy: -396.895629 where: bonds (distance) C4'-P energy: -118.355 bonds (distance) P-C4' energy: -145.605 flat angles C4'-P-C4' energy: -109.575 flat angles P-C4'-P energy: -56.685 tors. eta vs tors. theta energy: 33.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2306.655690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.655690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.655690 (E_RNA) where: Base-Base interactions energy: -1544.712 where: short stacking energy: -670.172 Base-Backbone interact. energy: -1.973 local terms energy: -759.971174 where: bonds (distance) C4'-P energy: -158.336 bonds (distance) P-C4' energy: -160.088 flat angles C4'-P-C4' energy: -159.934 flat angles P-C4'-P energy: -102.666 tors. eta vs tors. theta energy: -178.947 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: 2, replica: 6 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2065.021033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.021033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.021033 (E_RNA) where: Base-Base interactions energy: -1361.410 where: short stacking energy: -609.186 Base-Backbone interact. energy: -2.775 local terms energy: -700.836210 where: bonds (distance) C4'-P energy: -148.102 bonds (distance) P-C4' energy: -129.687 flat angles C4'-P-C4' energy: -153.458 flat angles P-C4'-P energy: -98.980 tors. eta vs tors. theta energy: -170.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1836.368505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.368505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.368505 (E_RNA) where: Base-Base interactions energy: -1162.710 where: short stacking energy: -554.336 Base-Backbone interact. energy: -2.809 local terms energy: -670.848692 where: bonds (distance) C4'-P energy: -125.271 bonds (distance) P-C4' energy: -154.750 flat angles C4'-P-C4' energy: -140.250 flat angles P-C4'-P energy: -101.476 tors. eta vs tors. theta energy: -149.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1843.885668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.885668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.885668 (E_RNA) where: Base-Base interactions energy: -1214.316 where: short stacking energy: -552.509 Base-Backbone interact. energy: -3.163 local terms energy: -626.406516 where: bonds (distance) C4'-P energy: -132.400 bonds (distance) P-C4' energy: -143.374 flat angles C4'-P-C4' energy: -135.714 flat angles P-C4'-P energy: -82.310 tors. eta vs tors. theta energy: -132.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1454.926458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.926458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.926458 (E_RNA) where: Base-Base interactions energy: -864.785 where: short stacking energy: -432.791 Base-Backbone interact. energy: 2.246 local terms energy: -592.387481 where: bonds (distance) C4'-P energy: -123.765 bonds (distance) P-C4' energy: -148.053 flat angles C4'-P-C4' energy: -137.045 flat angles P-C4'-P energy: -92.867 tors. eta vs tors. theta energy: -90.658 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: 1 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1220.244327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.244327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.244327 (E_RNA) where: Base-Base interactions energy: -641.004 where: short stacking energy: -336.351 Base-Backbone interact. energy: -0.126 local terms energy: -579.114600 where: bonds (distance) C4'-P energy: -142.822 bonds (distance) P-C4' energy: -138.978 flat angles C4'-P-C4' energy: -140.899 flat angles P-C4'-P energy: -92.446 tors. eta vs tors. theta energy: -63.969 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: 7, replica: 5 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1172.160525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.160525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.160525 (E_RNA) where: Base-Base interactions energy: -658.179 where: short stacking energy: -355.270 Base-Backbone interact. energy: -0.645 local terms energy: -513.336161 where: bonds (distance) C4'-P energy: -137.414 bonds (distance) P-C4' energy: -117.292 flat angles C4'-P-C4' energy: -124.741 flat angles P-C4'-P energy: -75.291 tors. eta vs tors. theta energy: -58.599 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: 8, replica: 8 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -944.109379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.109379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.109379 (E_RNA) where: Base-Base interactions energy: -472.378 where: short stacking energy: -232.949 Base-Backbone interact. energy: -1.079 local terms energy: -470.652938 where: bonds (distance) C4'-P energy: -124.784 bonds (distance) P-C4' energy: -152.581 flat angles C4'-P-C4' energy: -114.325 flat angles P-C4'-P energy: -76.204 tors. eta vs tors. theta energy: -2.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -764.137688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.137688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.137688 (E_RNA) where: Base-Base interactions energy: -354.604 where: short stacking energy: -203.465 Base-Backbone interact. energy: 9.212 local terms energy: -418.745194 where: bonds (distance) C4'-P energy: -119.487 bonds (distance) P-C4' energy: -139.694 flat angles C4'-P-C4' energy: -102.583 flat angles P-C4'-P energy: -71.979 tors. eta vs tors. theta energy: 14.997 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: 10 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -703.737255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.737255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.737255 (E_RNA) where: Base-Base interactions energy: -292.280 where: short stacking energy: -149.321 Base-Backbone interact. energy: -0.453 local terms energy: -411.004737 where: bonds (distance) C4'-P energy: -113.849 bonds (distance) P-C4' energy: -145.174 flat angles C4'-P-C4' energy: -111.746 flat angles P-C4'-P energy: -73.705 tors. eta vs tors. theta energy: 33.470 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: 3 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2292.945447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.945447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.945447 (E_RNA) where: Base-Base interactions energy: -1516.904 where: short stacking energy: -665.623 Base-Backbone interact. energy: -2.557 local terms energy: -773.485160 where: bonds (distance) C4'-P energy: -156.409 bonds (distance) P-C4' energy: -147.540 flat angles C4'-P-C4' energy: -167.692 flat angles P-C4'-P energy: -103.745 tors. eta vs tors. theta energy: -198.100 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: 6 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2064.795732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.795732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.795732 (E_RNA) where: Base-Base interactions energy: -1324.305 where: short stacking energy: -584.130 Base-Backbone interact. energy: -0.518 local terms energy: -739.973260 where: bonds (distance) C4'-P energy: -147.120 bonds (distance) P-C4' energy: -162.198 flat angles C4'-P-C4' energy: -171.645 flat angles P-C4'-P energy: -90.264 tors. eta vs tors. theta energy: -168.746 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: 4 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1987.310074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.310074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.310074 (E_RNA) where: Base-Base interactions energy: -1309.424 where: short stacking energy: -612.241 Base-Backbone interact. energy: -5.338 local terms energy: -672.547872 where: bonds (distance) C4'-P energy: -135.340 bonds (distance) P-C4' energy: -141.448 flat angles C4'-P-C4' energy: -147.760 flat angles P-C4'-P energy: -76.833 tors. eta vs tors. theta energy: -171.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1734.498891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.498891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.498891 (E_RNA) where: Base-Base interactions energy: -1116.415 where: short stacking energy: -514.215 Base-Backbone interact. energy: -1.592 local terms energy: -616.491384 where: bonds (distance) C4'-P energy: -139.397 bonds (distance) P-C4' energy: -147.937 flat angles C4'-P-C4' energy: -132.385 flat angles P-C4'-P energy: -76.905 tors. eta vs tors. theta energy: -119.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1513.359060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.359060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.359060 (E_RNA) where: Base-Base interactions energy: -916.799 where: short stacking energy: -469.405 Base-Backbone interact. energy: -4.912 local terms energy: -591.648250 where: bonds (distance) C4'-P energy: -120.449 bonds (distance) P-C4' energy: -137.172 flat angles C4'-P-C4' energy: -143.527 flat angles P-C4'-P energy: -81.153 tors. eta vs tors. theta energy: -109.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1280.805903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.805903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.805903 (E_RNA) where: Base-Base interactions energy: -699.808 where: short stacking energy: -368.459 Base-Backbone interact. energy: -0.369 local terms energy: -580.629721 where: bonds (distance) C4'-P energy: -137.796 bonds (distance) P-C4' energy: -156.131 flat angles C4'-P-C4' energy: -131.208 flat angles P-C4'-P energy: -72.989 tors. eta vs tors. theta energy: -82.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1182.573040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.573040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.573040 (E_RNA) where: Base-Base interactions energy: -665.198 where: short stacking energy: -357.056 Base-Backbone interact. energy: 0.441 local terms energy: -517.816029 where: bonds (distance) C4'-P energy: -108.195 bonds (distance) P-C4' energy: -126.684 flat angles C4'-P-C4' energy: -126.257 flat angles P-C4'-P energy: -79.027 tors. eta vs tors. theta energy: -77.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -934.327530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.327530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.327530 (E_RNA) where: Base-Base interactions energy: -478.114 where: short stacking energy: -281.927 Base-Backbone interact. energy: 2.712 local terms energy: -459.193526 where: bonds (distance) C4'-P energy: -110.053 bonds (distance) P-C4' energy: -136.678 flat angles C4'-P-C4' energy: -120.218 flat angles P-C4'-P energy: -78.233 tors. eta vs tors. theta energy: -14.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.269 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -832.341510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.341510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.341510 (E_RNA) where: Base-Base interactions energy: -398.347 where: short stacking energy: -225.253 Base-Backbone interact. energy: -0.097 local terms energy: -433.897477 where: bonds (distance) C4'-P energy: -126.841 bonds (distance) P-C4' energy: -122.799 flat angles C4'-P-C4' energy: -114.711 flat angles P-C4'-P energy: -58.069 tors. eta vs tors. theta energy: -11.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -614.340094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.340094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.340094 (E_RNA) where: Base-Base interactions energy: -264.616 where: short stacking energy: -170.373 Base-Backbone interact. energy: 0.368 local terms energy: -350.091564 where: bonds (distance) C4'-P energy: -105.063 bonds (distance) P-C4' energy: -111.069 flat angles C4'-P-C4' energy: -111.335 flat angles P-C4'-P energy: -58.311 tors. eta vs tors. theta energy: 35.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2325.577354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.577354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.577354 (E_RNA) where: Base-Base interactions energy: -1580.863 where: short stacking energy: -685.313 Base-Backbone interact. energy: -4.632 local terms energy: -740.082330 where: bonds (distance) C4'-P energy: -122.298 bonds (distance) P-C4' energy: -151.268 flat angles C4'-P-C4' energy: -158.338 flat angles P-C4'-P energy: -115.265 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: 2, replica: 4 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2104.190507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.190507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.190507 (E_RNA) where: Base-Base interactions energy: -1377.976 where: short stacking energy: -641.375 Base-Backbone interact. energy: -1.849 local terms energy: -724.365527 where: bonds (distance) C4'-P energy: -123.730 bonds (distance) P-C4' energy: -149.866 flat angles C4'-P-C4' energy: -164.466 flat angles P-C4'-P energy: -114.811 tors. eta vs tors. theta energy: -171.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -2035.058925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.058925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.058925 (E_RNA) where: Base-Base interactions energy: -1365.267 where: short stacking energy: -626.958 Base-Backbone interact. energy: 1.538 local terms energy: -671.329123 where: bonds (distance) C4'-P energy: -143.362 bonds (distance) P-C4' energy: -138.883 flat angles C4'-P-C4' energy: -154.891 flat angles P-C4'-P energy: -94.439 tors. eta vs tors. theta energy: -139.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1726.405998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.405998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.405998 (E_RNA) where: Base-Base interactions energy: -1109.388 where: short stacking energy: -511.652 Base-Backbone interact. energy: -4.389 local terms energy: -612.628916 where: bonds (distance) C4'-P energy: -140.993 bonds (distance) P-C4' energy: -132.993 flat angles C4'-P-C4' energy: -144.616 flat angles P-C4'-P energy: -85.655 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: 5, replica: 2 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1487.841569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.841569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.841569 (E_RNA) where: Base-Base interactions energy: -886.430 where: short stacking energy: -469.713 Base-Backbone interact. energy: -1.998 local terms energy: -599.412920 where: bonds (distance) C4'-P energy: -146.142 bonds (distance) P-C4' energy: -123.474 flat angles C4'-P-C4' energy: -131.173 flat angles P-C4'-P energy: -83.082 tors. eta vs tors. theta energy: -115.542 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: 1 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1385.695788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.695788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.695788 (E_RNA) where: Base-Base interactions energy: -824.502 where: short stacking energy: -409.576 Base-Backbone interact. energy: -1.732 local terms energy: -559.461525 where: bonds (distance) C4'-P energy: -125.330 bonds (distance) P-C4' energy: -141.085 flat angles C4'-P-C4' energy: -129.654 flat angles P-C4'-P energy: -97.909 tors. eta vs tors. theta energy: -65.483 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: 5 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1109.356299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.356299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.356299 (E_RNA) where: Base-Base interactions energy: -594.247 where: short stacking energy: -310.991 Base-Backbone interact. energy: 0.710 local terms energy: -515.818842 where: bonds (distance) C4'-P energy: -135.307 bonds (distance) P-C4' energy: -131.674 flat angles C4'-P-C4' energy: -126.385 flat angles P-C4'-P energy: -67.646 tors. eta vs tors. theta energy: -54.808 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: 9 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -944.997498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.997498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.997498 (E_RNA) where: Base-Base interactions energy: -493.920 where: short stacking energy: -303.032 Base-Backbone interact. energy: -3.038 local terms energy: -448.038790 where: bonds (distance) C4'-P energy: -118.028 bonds (distance) P-C4' energy: -112.120 flat angles C4'-P-C4' energy: -124.704 flat angles P-C4'-P energy: -66.104 tors. eta vs tors. theta energy: -27.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -833.255793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.255793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.255793 (E_RNA) where: Base-Base interactions energy: -412.508 where: short stacking energy: -261.780 Base-Backbone interact. energy: 3.977 local terms energy: -424.724891 where: bonds (distance) C4'-P energy: -113.297 bonds (distance) P-C4' energy: -126.211 flat angles C4'-P-C4' energy: -105.056 flat angles P-C4'-P energy: -64.374 tors. eta vs tors. theta energy: -15.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -578.808627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.808627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.808627 (E_RNA) where: Base-Base interactions energy: -236.549 where: short stacking energy: -162.661 Base-Backbone interact. energy: 6.598 local terms energy: -348.858261 where: bonds (distance) C4'-P energy: -127.849 bonds (distance) P-C4' energy: -122.972 flat angles C4'-P-C4' energy: -89.508 flat angles P-C4'-P energy: -44.947 tors. eta vs tors. theta energy: 36.419 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: 1, replica: 3 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2314.650531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.650531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.650531 (E_RNA) where: Base-Base interactions energy: -1548.158 where: short stacking energy: -667.327 Base-Backbone interact. energy: -5.494 local terms energy: -760.999162 where: bonds (distance) C4'-P energy: -149.324 bonds (distance) P-C4' energy: -153.293 flat angles C4'-P-C4' energy: -167.931 flat angles P-C4'-P energy: -105.477 tors. eta vs tors. theta energy: -184.973 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: 2, replica: 4 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2061.188615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.188615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.188615 (E_RNA) where: Base-Base interactions energy: -1356.839 where: short stacking energy: -622.928 Base-Backbone interact. energy: 2.237 local terms energy: -706.586298 where: bonds (distance) C4'-P energy: -135.008 bonds (distance) P-C4' energy: -158.858 flat angles C4'-P-C4' energy: -164.991 flat angles P-C4'-P energy: -92.052 tors. eta vs tors. theta energy: -155.677 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: 3, replica: 6 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2013.080650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.080650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.080650 (E_RNA) where: Base-Base interactions energy: -1332.201 where: short stacking energy: -610.089 Base-Backbone interact. energy: 2.621 local terms energy: -683.500786 where: bonds (distance) C4'-P energy: -150.668 bonds (distance) P-C4' energy: -149.983 flat angles C4'-P-C4' energy: -146.872 flat angles P-C4'-P energy: -84.021 tors. eta vs tors. theta energy: -151.958 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: 7 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1740.017595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.017595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.017595 (E_RNA) where: Base-Base interactions energy: -1102.033 where: short stacking energy: -497.303 Base-Backbone interact. energy: -1.937 local terms energy: -636.047515 where: bonds (distance) C4'-P energy: -121.296 bonds (distance) P-C4' energy: -153.415 flat angles C4'-P-C4' energy: -145.230 flat angles P-C4'-P energy: -96.753 tors. eta vs tors. theta energy: -119.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1447.987031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.987031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.987031 (E_RNA) where: Base-Base interactions energy: -866.263 where: short stacking energy: -438.844 Base-Backbone interact. energy: -1.825 local terms energy: -579.899436 where: bonds (distance) C4'-P energy: -130.085 bonds (distance) P-C4' energy: -140.032 flat angles C4'-P-C4' energy: -131.229 flat angles P-C4'-P energy: -90.648 tors. eta vs tors. theta energy: -87.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1363.803458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.803458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.803458 (E_RNA) where: Base-Base interactions energy: -817.234 where: short stacking energy: -402.237 Base-Backbone interact. energy: -0.662 local terms energy: -545.906892 where: bonds (distance) C4'-P energy: -125.951 bonds (distance) P-C4' energy: -132.799 flat angles C4'-P-C4' energy: -127.802 flat angles P-C4'-P energy: -95.001 tors. eta vs tors. theta energy: -64.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1030.800268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.800268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.800268 (E_RNA) where: Base-Base interactions energy: -529.624 where: short stacking energy: -333.845 Base-Backbone interact. energy: 4.400 local terms energy: -505.576104 where: bonds (distance) C4'-P energy: -127.966 bonds (distance) P-C4' energy: -140.437 flat angles C4'-P-C4' energy: -120.138 flat angles P-C4'-P energy: -64.803 tors. eta vs tors. theta energy: -52.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -896.466360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.466360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.466360 (E_RNA) where: Base-Base interactions energy: -432.791 where: short stacking energy: -272.985 Base-Backbone interact. energy: -1.410 local terms energy: -462.264987 where: bonds (distance) C4'-P energy: -121.696 bonds (distance) P-C4' energy: -139.983 flat angles C4'-P-C4' energy: -108.969 flat angles P-C4'-P energy: -71.480 tors. eta vs tors. theta energy: -20.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -830.616652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.616652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.616652 (E_RNA) where: Base-Base interactions energy: -401.971 where: short stacking energy: -227.870 Base-Backbone interact. energy: 1.650 local terms energy: -430.295131 where: bonds (distance) C4'-P energy: -109.494 bonds (distance) P-C4' energy: -131.407 flat angles C4'-P-C4' energy: -122.960 flat angles P-C4'-P energy: -56.832 tors. eta vs tors. theta energy: -9.602 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: 10 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -606.180803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.180803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.180803 (E_RNA) where: Base-Base interactions energy: -234.009 where: short stacking energy: -164.717 Base-Backbone interact. energy: -0.573 local terms energy: -371.598891 where: bonds (distance) C4'-P energy: -92.601 bonds (distance) P-C4' energy: -128.811 flat angles C4'-P-C4' energy: -114.443 flat angles P-C4'-P energy: -62.956 tors. eta vs tors. theta energy: 27.212 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: 1, replica: 3 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2327.002010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.002010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.002010 (E_RNA) where: Base-Base interactions energy: -1564.400 where: short stacking energy: -669.441 Base-Backbone interact. energy: 2.158 local terms energy: -764.760473 where: bonds (distance) C4'-P energy: -160.411 bonds (distance) P-C4' energy: -160.105 flat angles C4'-P-C4' energy: -160.542 flat angles P-C4'-P energy: -109.247 tors. eta vs tors. theta energy: -174.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2124.341639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.341639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.341639 (E_RNA) where: Base-Base interactions energy: -1392.244 where: short stacking energy: -674.831 Base-Backbone interact. energy: 4.661 local terms energy: -736.759015 where: bonds (distance) C4'-P energy: -158.045 bonds (distance) P-C4' energy: -147.513 flat angles C4'-P-C4' energy: -154.949 flat angles P-C4'-P energy: -94.272 tors. eta vs tors. theta energy: -181.980 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: 6 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1933.612569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.612569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.612569 (E_RNA) where: Base-Base interactions energy: -1265.017 where: short stacking energy: -579.437 Base-Backbone interact. energy: 1.713 local terms energy: -670.308364 where: bonds (distance) C4'-P energy: -145.801 bonds (distance) P-C4' energy: -142.854 flat angles C4'-P-C4' energy: -140.315 flat angles P-C4'-P energy: -98.445 tors. eta vs tors. theta energy: -142.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1795.901720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.901720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.901720 (E_RNA) where: Base-Base interactions energy: -1135.141 where: short stacking energy: -513.688 Base-Backbone interact. energy: -2.064 local terms energy: -658.697062 where: bonds (distance) C4'-P energy: -138.621 bonds (distance) P-C4' energy: -152.958 flat angles C4'-P-C4' energy: -158.821 flat angles P-C4'-P energy: -88.995 tors. eta vs tors. theta energy: -119.302 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: 2 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1480.682547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.682547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.682547 (E_RNA) where: Base-Base interactions energy: -881.067 where: short stacking energy: -420.731 Base-Backbone interact. energy: 1.194 local terms energy: -600.808888 where: bonds (distance) C4'-P energy: -144.770 bonds (distance) P-C4' energy: -132.253 flat angles C4'-P-C4' energy: -150.866 flat angles P-C4'-P energy: -94.802 tors. eta vs tors. theta energy: -78.117 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: 1 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1416.123381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.123381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.123381 (E_RNA) where: Base-Base interactions energy: -863.306 where: short stacking energy: -398.673 Base-Backbone interact. energy: -1.280 local terms energy: -551.537671 where: bonds (distance) C4'-P energy: -125.667 bonds (distance) P-C4' energy: -143.583 flat angles C4'-P-C4' energy: -150.174 flat angles P-C4'-P energy: -74.360 tors. eta vs tors. theta energy: -57.753 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: 5 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1100.764590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.764590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.764590 (E_RNA) where: Base-Base interactions energy: -538.927 where: short stacking energy: -330.187 Base-Backbone interact. energy: -1.415 local terms energy: -560.422161 where: bonds (distance) C4'-P energy: -129.587 bonds (distance) P-C4' energy: -158.999 flat angles C4'-P-C4' energy: -122.775 flat angles P-C4'-P energy: -89.107 tors. eta vs tors. theta energy: -59.955 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: 9 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -899.248782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.248782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.248782 (E_RNA) where: Base-Base interactions energy: -442.350 where: short stacking energy: -261.069 Base-Backbone interact. energy: 0.227 local terms energy: -457.126528 where: bonds (distance) C4'-P energy: -96.971 bonds (distance) P-C4' energy: -143.213 flat angles C4'-P-C4' energy: -121.689 flat angles P-C4'-P energy: -73.876 tors. eta vs tors. theta energy: -21.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -784.750109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.750109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.750109 (E_RNA) where: Base-Base interactions energy: -371.253 where: short stacking energy: -225.352 Base-Backbone interact. energy: 4.486 local terms energy: -417.983109 where: bonds (distance) C4'-P energy: -96.135 bonds (distance) P-C4' energy: -140.993 flat angles C4'-P-C4' energy: -116.436 flat angles P-C4'-P energy: -67.460 tors. eta vs tors. theta energy: 3.042 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: 53 Temperature: 1.350000 Total energy: -539.709516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.709516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.709516 (E_RNA) where: Base-Base interactions energy: -214.090 where: short stacking energy: -149.334 Base-Backbone interact. energy: 1.605 local terms energy: -327.224412 where: bonds (distance) C4'-P energy: -126.414 bonds (distance) P-C4' energy: -114.215 flat angles C4'-P-C4' energy: -89.236 flat angles P-C4'-P energy: -36.141 tors. eta vs tors. theta energy: 38.782 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: 1, replica: 3 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2301.184498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.184498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.184498 (E_RNA) where: Base-Base interactions energy: -1561.111 where: short stacking energy: -701.652 Base-Backbone interact. energy: 2.744 local terms energy: -742.817512 where: bonds (distance) C4'-P energy: -161.626 bonds (distance) P-C4' energy: -138.191 flat angles C4'-P-C4' energy: -163.705 flat angles P-C4'-P energy: -98.692 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: 2, replica: 4 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2093.355292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.355292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.355292 (E_RNA) where: Base-Base interactions energy: -1375.410 where: short stacking energy: -631.674 Base-Backbone interact. energy: 2.838 local terms energy: -720.783561 where: bonds (distance) C4'-P energy: -146.751 bonds (distance) P-C4' energy: -149.558 flat angles C4'-P-C4' energy: -150.604 flat angles P-C4'-P energy: -103.913 tors. eta vs tors. theta energy: -169.958 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: 6 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1961.541792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.541792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.541792 (E_RNA) where: Base-Base interactions energy: -1286.019 where: short stacking energy: -574.138 Base-Backbone interact. energy: -2.989 local terms energy: -672.533725 where: bonds (distance) C4'-P energy: -137.170 bonds (distance) P-C4' energy: -135.720 flat angles C4'-P-C4' energy: -160.724 flat angles P-C4'-P energy: -97.967 tors. eta vs tors. theta energy: -140.952 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: 7 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1786.516391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.516391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.516391 (E_RNA) where: Base-Base interactions energy: -1153.029 where: short stacking energy: -512.592 Base-Backbone interact. energy: -3.371 local terms energy: -630.116950 where: bonds (distance) C4'-P energy: -118.459 bonds (distance) P-C4' energy: -147.129 flat angles C4'-P-C4' energy: -134.299 flat angles P-C4'-P energy: -106.117 tors. eta vs tors. theta energy: -124.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1548.331545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.331545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.331545 (E_RNA) where: Base-Base interactions energy: -943.735 where: short stacking energy: -436.937 Base-Backbone interact. energy: -2.642 local terms energy: -601.954400 where: bonds (distance) C4'-P energy: -152.627 bonds (distance) P-C4' energy: -136.548 flat angles C4'-P-C4' energy: -123.286 flat angles P-C4'-P energy: -85.671 tors. eta vs tors. theta energy: -103.824 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: 1 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1424.961638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.961638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.961638 (E_RNA) where: Base-Base interactions energy: -865.243 where: short stacking energy: -447.265 Base-Backbone interact. energy: -1.381 local terms energy: -558.338146 where: bonds (distance) C4'-P energy: -116.436 bonds (distance) P-C4' energy: -141.827 flat angles C4'-P-C4' energy: -126.255 flat angles P-C4'-P energy: -80.132 tors. eta vs tors. theta energy: -93.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1002.569597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.569597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.569597 (E_RNA) where: Base-Base interactions energy: -482.915 where: short stacking energy: -298.364 Base-Backbone interact. energy: -2.590 local terms energy: -517.064233 where: bonds (distance) C4'-P energy: -121.963 bonds (distance) P-C4' energy: -155.670 flat angles C4'-P-C4' energy: -119.935 flat angles P-C4'-P energy: -75.162 tors. eta vs tors. theta energy: -44.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -883.738045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.738045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.738045 (E_RNA) where: Base-Base interactions energy: -443.532 where: short stacking energy: -249.188 Base-Backbone interact. energy: 0.793 local terms energy: -440.998759 where: bonds (distance) C4'-P energy: -129.146 bonds (distance) P-C4' energy: -131.976 flat angles C4'-P-C4' energy: -117.757 flat angles P-C4'-P energy: -49.510 tors. eta vs tors. theta energy: -12.609 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: 9, replica: 8 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -845.280544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.280544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.280544 (E_RNA) where: Base-Base interactions energy: -411.805 where: short stacking energy: -214.590 Base-Backbone interact. energy: -1.416 local terms energy: -432.059074 where: bonds (distance) C4'-P energy: -117.086 bonds (distance) P-C4' energy: -130.255 flat angles C4'-P-C4' energy: -121.737 flat angles P-C4'-P energy: -80.429 tors. eta vs tors. theta energy: 17.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -561.920566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.920566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.920566 (E_RNA) where: Base-Base interactions energy: -195.600 where: short stacking energy: -152.532 Base-Backbone interact. energy: -4.362 local terms energy: -361.957890 where: bonds (distance) C4'-P energy: -113.454 bonds (distance) P-C4' energy: -106.990 flat angles C4'-P-C4' energy: -96.698 flat angles P-C4'-P energy: -55.708 tors. eta vs tors. theta energy: 10.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2299.030936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.030936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.030936 (E_RNA) where: Base-Base interactions energy: -1563.978 where: short stacking energy: -683.063 Base-Backbone interact. energy: -1.501 local terms energy: -733.552341 where: bonds (distance) C4'-P energy: -137.142 bonds (distance) P-C4' energy: -142.965 flat angles C4'-P-C4' energy: -161.454 flat angles P-C4'-P energy: -108.270 tors. eta vs tors. theta energy: -183.722 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: 2, replica: 4 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2110.061180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.061180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.061180 (E_RNA) where: Base-Base interactions energy: -1372.099 where: short stacking energy: -648.713 Base-Backbone interact. energy: 0.067 local terms energy: -738.029725 where: bonds (distance) C4'-P energy: -135.473 bonds (distance) P-C4' energy: -149.035 flat angles C4'-P-C4' energy: -166.925 flat angles P-C4'-P energy: -113.301 tors. eta vs tors. theta energy: -173.296 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: 6 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1953.672541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.672541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.672541 (E_RNA) where: Base-Base interactions energy: -1262.477 where: short stacking energy: -597.017 Base-Backbone interact. energy: -1.377 local terms energy: -689.818708 where: bonds (distance) C4'-P energy: -139.732 bonds (distance) P-C4' energy: -154.402 flat angles C4'-P-C4' energy: -142.952 flat angles P-C4'-P energy: -91.000 tors. eta vs tors. theta energy: -161.732 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: 7 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1749.764998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.764998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.764998 (E_RNA) where: Base-Base interactions energy: -1114.460 where: short stacking energy: -524.814 Base-Backbone interact. energy: 2.591 local terms energy: -637.896300 where: bonds (distance) C4'-P energy: -128.515 bonds (distance) P-C4' energy: -143.916 flat angles C4'-P-C4' energy: -140.711 flat angles P-C4'-P energy: -94.234 tors. eta vs tors. theta energy: -130.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1550.993645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.993645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.993645 (E_RNA) where: Base-Base interactions energy: -938.704 where: short stacking energy: -452.469 Base-Backbone interact. energy: 5.565 local terms energy: -617.854299 where: bonds (distance) C4'-P energy: -147.439 bonds (distance) P-C4' energy: -155.295 flat angles C4'-P-C4' energy: -124.798 flat angles P-C4'-P energy: -86.447 tors. eta vs tors. theta energy: -103.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1444.123817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.123817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.123817 (E_RNA) where: Base-Base interactions energy: -868.456 where: short stacking energy: -413.193 Base-Backbone interact. energy: 1.798 local terms energy: -577.465971 where: bonds (distance) C4'-P energy: -145.047 bonds (distance) P-C4' energy: -134.538 flat angles C4'-P-C4' energy: -127.946 flat angles P-C4'-P energy: -89.635 tors. eta vs tors. theta energy: -80.301 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: 5 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1054.215053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.215053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.215053 (E_RNA) where: Base-Base interactions energy: -585.726 where: short stacking energy: -330.349 Base-Backbone interact. energy: -2.028 local terms energy: -466.460817 where: bonds (distance) C4'-P energy: -112.336 bonds (distance) P-C4' energy: -128.634 flat angles C4'-P-C4' energy: -113.269 flat angles P-C4'-P energy: -60.926 tors. eta vs tors. theta energy: -51.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -919.998429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.998429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.998429 (E_RNA) where: Base-Base interactions energy: -446.020 where: short stacking energy: -248.497 Base-Backbone interact. energy: 6.107 local terms energy: -480.085153 where: bonds (distance) C4'-P energy: -132.723 bonds (distance) P-C4' energy: -131.080 flat angles C4'-P-C4' energy: -119.817 flat angles P-C4'-P energy: -74.304 tors. eta vs tors. theta energy: -22.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -800.255361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.255361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.255361 (E_RNA) where: Base-Base interactions energy: -389.721 where: short stacking energy: -256.644 Base-Backbone interact. energy: 0.031 local terms energy: -410.565336 where: bonds (distance) C4'-P energy: -132.624 bonds (distance) P-C4' energy: -117.340 flat angles C4'-P-C4' energy: -103.447 flat angles P-C4'-P energy: -44.707 tors. eta vs tors. theta energy: -12.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -578.492427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.492427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.492427 (E_RNA) where: Base-Base interactions energy: -182.099 where: short stacking energy: -163.544 Base-Backbone interact. energy: 0.796 local terms energy: -397.189664 where: bonds (distance) C4'-P energy: -130.253 bonds (distance) P-C4' energy: -118.896 flat angles C4'-P-C4' energy: -102.826 flat angles P-C4'-P energy: -69.517 tors. eta vs tors. theta energy: 24.302 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: 3 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2307.578749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.578749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.578749 (E_RNA) where: Base-Base interactions energy: -1557.527 where: short stacking energy: -671.420 Base-Backbone interact. energy: 0.474 local terms energy: -750.525439 where: bonds (distance) C4'-P energy: -151.937 bonds (distance) P-C4' energy: -143.207 flat angles C4'-P-C4' energy: -164.474 flat angles P-C4'-P energy: -109.457 tors. eta vs tors. theta energy: -181.451 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: 56 Temperature: 0.950000 Total energy: -2134.532028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.532028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.532028 (E_RNA) where: Base-Base interactions energy: -1406.293 where: short stacking energy: -654.597 Base-Backbone interact. energy: -2.474 local terms energy: -725.765036 where: bonds (distance) C4'-P energy: -154.073 bonds (distance) P-C4' energy: -140.854 flat angles C4'-P-C4' energy: -161.242 flat angles P-C4'-P energy: -108.660 tors. eta vs tors. theta energy: -160.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1977.877595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.877595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.877595 (E_RNA) where: Base-Base interactions energy: -1321.926 where: short stacking energy: -614.641 Base-Backbone interact. energy: -1.562 local terms energy: -654.388912 where: bonds (distance) C4'-P energy: -128.503 bonds (distance) P-C4' energy: -156.957 flat angles C4'-P-C4' energy: -152.864 flat angles P-C4'-P energy: -70.730 tors. eta vs tors. theta energy: -145.334 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: 7 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1732.471041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.471041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.471041 (E_RNA) where: Base-Base interactions energy: -1111.119 where: short stacking energy: -522.013 Base-Backbone interact. energy: -2.180 local terms energy: -619.172528 where: bonds (distance) C4'-P energy: -126.911 bonds (distance) P-C4' energy: -149.448 flat angles C4'-P-C4' energy: -130.567 flat angles P-C4'-P energy: -80.881 tors. eta vs tors. theta energy: -131.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1513.200692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.200692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.200692 (E_RNA) where: Base-Base interactions energy: -921.179 where: short stacking energy: -442.839 Base-Backbone interact. energy: -1.203 local terms energy: -590.819093 where: bonds (distance) C4'-P energy: -142.892 bonds (distance) P-C4' energy: -128.774 flat angles C4'-P-C4' energy: -145.131 flat angles P-C4'-P energy: -88.107 tors. eta vs tors. theta energy: -85.915 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: 6, replica: 1 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1405.766563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.766563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.766563 (E_RNA) where: Base-Base interactions energy: -850.425 where: short stacking energy: -405.471 Base-Backbone interact. energy: 1.805 local terms energy: -557.146514 where: bonds (distance) C4'-P energy: -129.536 bonds (distance) P-C4' energy: -134.385 flat angles C4'-P-C4' energy: -142.246 flat angles P-C4'-P energy: -75.321 tors. eta vs tors. theta energy: -75.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -996.138049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.138049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.138049 (E_RNA) where: Base-Base interactions energy: -530.746 where: short stacking energy: -310.622 Base-Backbone interact. energy: -0.076 local terms energy: -465.316177 where: bonds (distance) C4'-P energy: -111.339 bonds (distance) P-C4' energy: -130.793 flat angles C4'-P-C4' energy: -111.037 flat angles P-C4'-P energy: -77.936 tors. eta vs tors. theta energy: -34.212 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: 5 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -919.846616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.846616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.846616 (E_RNA) where: Base-Base interactions energy: -453.791 where: short stacking energy: -287.107 Base-Backbone interact. energy: -3.635 local terms energy: -462.420567 where: bonds (distance) C4'-P energy: -123.648 bonds (distance) P-C4' energy: -118.055 flat angles C4'-P-C4' energy: -140.827 flat angles P-C4'-P energy: -65.433 tors. eta vs tors. theta energy: -14.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -798.366008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.366008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.366008 (E_RNA) where: Base-Base interactions energy: -410.125 where: short stacking energy: -254.815 Base-Backbone interact. energy: 6.121 local terms energy: -394.362042 where: bonds (distance) C4'-P energy: -120.356 bonds (distance) P-C4' energy: -123.655 flat angles C4'-P-C4' energy: -81.918 flat angles P-C4'-P energy: -68.544 tors. eta vs tors. theta energy: 0.112 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: 56 Temperature: 1.350000 Total energy: -581.878587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.878587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.878587 (E_RNA) where: Base-Base interactions energy: -203.555 where: short stacking energy: -137.731 Base-Backbone interact. energy: 1.069 local terms energy: -379.392947 where: bonds (distance) C4'-P energy: -123.867 bonds (distance) P-C4' energy: -137.493 flat angles C4'-P-C4' energy: -97.644 flat angles P-C4'-P energy: -47.142 tors. eta vs tors. theta energy: 26.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2297.832658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.832658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.832658 (E_RNA) where: Base-Base interactions energy: -1510.703 where: short stacking energy: -662.743 Base-Backbone interact. energy: -1.076 local terms energy: -786.053428 where: bonds (distance) C4'-P energy: -167.844 bonds (distance) P-C4' energy: -151.392 flat angles C4'-P-C4' energy: -165.586 flat angles P-C4'-P energy: -113.531 tors. eta vs tors. theta energy: -187.701 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: 4 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2206.193526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.193526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.193526 (E_RNA) where: Base-Base interactions energy: -1478.520 where: short stacking energy: -669.013 Base-Backbone interact. energy: 7.316 local terms energy: -734.989720 where: bonds (distance) C4'-P energy: -140.030 bonds (distance) P-C4' energy: -161.695 flat angles C4'-P-C4' energy: -157.707 flat angles P-C4'-P energy: -100.906 tors. eta vs tors. theta energy: -174.652 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: 6 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1961.431796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.431796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.431796 (E_RNA) where: Base-Base interactions energy: -1282.327 where: short stacking energy: -563.735 Base-Backbone interact. energy: -0.644 local terms energy: -678.461628 where: bonds (distance) C4'-P energy: -132.080 bonds (distance) P-C4' energy: -144.956 flat angles C4'-P-C4' energy: -154.712 flat angles P-C4'-P energy: -93.646 tors. eta vs tors. theta energy: -153.068 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: 7 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1703.939804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.939804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.939804 (E_RNA) where: Base-Base interactions energy: -1104.099 where: short stacking energy: -550.007 Base-Backbone interact. energy: -3.722 local terms energy: -596.118655 where: bonds (distance) C4'-P energy: -125.030 bonds (distance) P-C4' energy: -132.880 flat angles C4'-P-C4' energy: -141.306 flat angles P-C4'-P energy: -91.621 tors. eta vs tors. theta energy: -105.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1545.105461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.105461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.105461 (E_RNA) where: Base-Base interactions energy: -968.172 where: short stacking energy: -478.060 Base-Backbone interact. energy: -2.332 local terms energy: -574.602049 where: bonds (distance) C4'-P energy: -129.307 bonds (distance) P-C4' energy: -126.174 flat angles C4'-P-C4' energy: -135.223 flat angles P-C4'-P energy: -80.533 tors. eta vs tors. theta energy: -103.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1355.708574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.708574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.708574 (E_RNA) where: Base-Base interactions energy: -825.485 where: short stacking energy: -406.677 Base-Backbone interact. energy: -1.260 local terms energy: -528.963758 where: bonds (distance) C4'-P energy: -123.253 bonds (distance) P-C4' energy: -115.968 flat angles C4'-P-C4' energy: -133.341 flat angles P-C4'-P energy: -88.870 tors. eta vs tors. theta energy: -67.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1122.209471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.209471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.209471 (E_RNA) where: Base-Base interactions energy: -610.230 where: short stacking energy: -316.459 Base-Backbone interact. energy: -3.237 local terms energy: -508.742846 where: bonds (distance) C4'-P energy: -132.266 bonds (distance) P-C4' energy: -132.432 flat angles C4'-P-C4' energy: -122.743 flat angles P-C4'-P energy: -80.950 tors. eta vs tors. theta energy: -40.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -926.631100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.631100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.631100 (E_RNA) where: Base-Base interactions energy: -428.329 where: short stacking energy: -252.235 Base-Backbone interact. energy: 2.520 local terms energy: -500.822096 where: bonds (distance) C4'-P energy: -129.048 bonds (distance) P-C4' energy: -143.831 flat angles C4'-P-C4' energy: -130.149 flat angles P-C4'-P energy: -80.252 tors. eta vs tors. theta energy: -17.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -890.771947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.771947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.771947 (E_RNA) where: Base-Base interactions energy: -464.717 where: short stacking energy: -246.614 Base-Backbone interact. energy: -4.089 local terms energy: -421.965457 where: bonds (distance) C4'-P energy: -127.625 bonds (distance) P-C4' energy: -118.122 flat angles C4'-P-C4' energy: -103.012 flat angles P-C4'-P energy: -65.998 tors. eta vs tors. theta energy: -7.208 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: 10, replica: 10 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -578.430875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.430875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.430875 (E_RNA) where: Base-Base interactions energy: -188.578 where: short stacking energy: -163.989 Base-Backbone interact. energy: 6.383 local terms energy: -396.235215 where: bonds (distance) C4'-P energy: -126.141 bonds (distance) P-C4' energy: -115.129 flat angles C4'-P-C4' energy: -112.262 flat angles P-C4'-P energy: -75.576 tors. eta vs tors. theta energy: 32.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2307.740316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.740316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.740316 (E_RNA) where: Base-Base interactions energy: -1554.085 where: short stacking energy: -713.139 Base-Backbone interact. energy: 4.803 local terms energy: -758.670266 where: bonds (distance) C4'-P energy: -140.738 bonds (distance) P-C4' energy: -148.672 flat angles C4'-P-C4' energy: -150.542 flat angles P-C4'-P energy: -112.391 tors. eta vs tors. theta energy: -206.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.212 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2164.733309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.733309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.733309 (E_RNA) where: Base-Base interactions energy: -1411.492 where: short stacking energy: -653.853 Base-Backbone interact. energy: -0.869 local terms energy: -752.372782 where: bonds (distance) C4'-P energy: -148.549 bonds (distance) P-C4' energy: -150.345 flat angles C4'-P-C4' energy: -158.585 flat angles P-C4'-P energy: -105.174 tors. eta vs tors. theta energy: -189.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2025.106367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.106367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.106367 (E_RNA) where: Base-Base interactions energy: -1300.161 where: short stacking energy: -594.880 Base-Backbone interact. energy: -3.933 local terms energy: -721.012602 where: bonds (distance) C4'-P energy: -143.855 bonds (distance) P-C4' energy: -148.631 flat angles C4'-P-C4' energy: -159.357 flat angles P-C4'-P energy: -107.546 tors. eta vs tors. theta energy: -161.624 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: 7 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1775.362380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.362380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.362380 (E_RNA) where: Base-Base interactions energy: -1108.226 where: short stacking energy: -547.518 Base-Backbone interact. energy: -0.048 local terms energy: -667.088333 where: bonds (distance) C4'-P energy: -131.573 bonds (distance) P-C4' energy: -136.535 flat angles C4'-P-C4' energy: -157.586 flat angles P-C4'-P energy: -102.511 tors. eta vs tors. theta energy: -138.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1535.959161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.959161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.959161 (E_RNA) where: Base-Base interactions energy: -962.703 where: short stacking energy: -459.185 Base-Backbone interact. energy: -3.487 local terms energy: -569.769070 where: bonds (distance) C4'-P energy: -130.540 bonds (distance) P-C4' energy: -128.844 flat angles C4'-P-C4' energy: -125.928 flat angles P-C4'-P energy: -98.895 tors. eta vs tors. theta energy: -85.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1430.677993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.677993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.677993 (E_RNA) where: Base-Base interactions energy: -895.034 where: short stacking energy: -411.877 Base-Backbone interact. energy: -2.992 local terms energy: -532.652596 where: bonds (distance) C4'-P energy: -119.127 bonds (distance) P-C4' energy: -130.495 flat angles C4'-P-C4' energy: -120.284 flat angles P-C4'-P energy: -96.918 tors. eta vs tors. theta energy: -65.829 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: 8 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1163.457296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.457296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.457296 (E_RNA) where: Base-Base interactions energy: -670.228 where: short stacking energy: -361.942 Base-Backbone interact. energy: -3.003 local terms energy: -490.225898 where: bonds (distance) C4'-P energy: -123.439 bonds (distance) P-C4' energy: -108.383 flat angles C4'-P-C4' energy: -122.243 flat angles P-C4'-P energy: -84.371 tors. eta vs tors. theta energy: -51.790 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: 5 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -902.753638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.753638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.753638 (E_RNA) where: Base-Base interactions energy: -452.577 where: short stacking energy: -269.881 Base-Backbone interact. energy: -2.943 local terms energy: -447.232950 where: bonds (distance) C4'-P energy: -128.598 bonds (distance) P-C4' energy: -129.485 flat angles C4'-P-C4' energy: -136.472 flat angles P-C4'-P energy: -55.767 tors. eta vs tors. theta energy: 3.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -878.408771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.408771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.408771 (E_RNA) where: Base-Base interactions energy: -473.514 where: short stacking energy: -264.102 Base-Backbone interact. energy: 0.220 local terms energy: -405.114402 where: bonds (distance) C4'-P energy: -101.861 bonds (distance) P-C4' energy: -127.157 flat angles C4'-P-C4' energy: -89.898 flat angles P-C4'-P energy: -73.272 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: 58 Temperature: 1.350000 Total energy: -563.223337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.223337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.223337 (E_RNA) where: Base-Base interactions energy: -189.562 where: short stacking energy: -153.890 Base-Backbone interact. energy: -1.603 local terms energy: -372.058291 where: bonds (distance) C4'-P energy: -122.939 bonds (distance) P-C4' energy: -121.781 flat angles C4'-P-C4' energy: -104.282 flat angles P-C4'-P energy: -53.676 tors. eta vs tors. theta energy: 30.619 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: 3 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2351.879665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.879665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.879665 (E_RNA) where: Base-Base interactions energy: -1573.824 where: short stacking energy: -711.537 Base-Backbone interact. energy: -1.831 local terms energy: -776.225303 where: bonds (distance) C4'-P energy: -136.752 bonds (distance) P-C4' energy: -161.076 flat angles C4'-P-C4' energy: -167.742 flat angles P-C4'-P energy: -104.927 tors. eta vs tors. theta energy: -205.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2174.553515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.553515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.553515 (E_RNA) where: Base-Base interactions energy: -1460.496 where: short stacking energy: -661.387 Base-Backbone interact. energy: -1.266 local terms energy: -712.791878 where: bonds (distance) C4'-P energy: -139.042 bonds (distance) P-C4' energy: -142.138 flat angles C4'-P-C4' energy: -150.324 flat angles P-C4'-P energy: -105.762 tors. eta vs tors. theta energy: -175.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2042.472625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.472625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.472625 (E_RNA) where: Base-Base interactions energy: -1335.717 where: short stacking energy: -649.604 Base-Backbone interact. energy: -2.560 local terms energy: -704.194679 where: bonds (distance) C4'-P energy: -135.896 bonds (distance) P-C4' energy: -147.882 flat angles C4'-P-C4' energy: -156.490 flat angles P-C4'-P energy: -103.184 tors. eta vs tors. theta energy: -160.742 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: 7 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1732.632812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.632812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.632812 (E_RNA) where: Base-Base interactions energy: -1091.832 where: short stacking energy: -541.383 Base-Backbone interact. energy: 1.370 local terms energy: -642.170498 where: bonds (distance) C4'-P energy: -142.305 bonds (distance) P-C4' energy: -142.235 flat angles C4'-P-C4' energy: -128.065 flat angles P-C4'-P energy: -98.481 tors. eta vs tors. theta energy: -131.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1545.433506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.433506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.433506 (E_RNA) where: Base-Base interactions energy: -956.209 where: short stacking energy: -470.933 Base-Backbone interact. energy: 5.352 local terms energy: -594.576056 where: bonds (distance) C4'-P energy: -128.851 bonds (distance) P-C4' energy: -160.274 flat angles C4'-P-C4' energy: -124.092 flat angles P-C4'-P energy: -87.700 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: 6, replica: 1 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1545.405127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.405127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.405127 (E_RNA) where: Base-Base interactions energy: -967.278 where: short stacking energy: -447.468 Base-Backbone interact. energy: -0.046 local terms energy: -578.080959 where: bonds (distance) C4'-P energy: -122.775 bonds (distance) P-C4' energy: -121.258 flat angles C4'-P-C4' energy: -138.756 flat angles P-C4'-P energy: -89.063 tors. eta vs tors. theta energy: -106.230 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: 59 Temperature: 1.200000 Total energy: -1249.061736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.061736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.061736 (E_RNA) where: Base-Base interactions energy: -712.377 where: short stacking energy: -375.157 Base-Backbone interact. energy: 2.401 local terms energy: -539.085293 where: bonds (distance) C4'-P energy: -124.771 bonds (distance) P-C4' energy: -139.671 flat angles C4'-P-C4' energy: -116.973 flat angles P-C4'-P energy: -96.283 tors. eta vs tors. theta energy: -61.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -928.683166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.683166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.683166 (E_RNA) where: Base-Base interactions energy: -483.455 where: short stacking energy: -278.922 Base-Backbone interact. energy: -1.565 local terms energy: -443.663279 where: bonds (distance) C4'-P energy: -124.229 bonds (distance) P-C4' energy: -126.916 flat angles C4'-P-C4' energy: -134.037 flat angles P-C4'-P energy: -54.331 tors. eta vs tors. theta energy: -4.149 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: 9, replica: 5 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -779.246099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.246099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.246099 (E_RNA) where: Base-Base interactions energy: -363.793 where: short stacking energy: -196.926 Base-Backbone interact. energy: 1.437 local terms energy: -416.890392 where: bonds (distance) C4'-P energy: -109.780 bonds (distance) P-C4' energy: -142.300 flat angles C4'-P-C4' energy: -105.909 flat angles P-C4'-P energy: -63.609 tors. eta vs tors. theta energy: 4.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -618.010650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.010650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.010650 (E_RNA) where: Base-Base interactions energy: -270.406 where: short stacking energy: -172.289 Base-Backbone interact. energy: 4.930 local terms energy: -352.535319 where: bonds (distance) C4'-P energy: -119.878 bonds (distance) P-C4' energy: -106.352 flat angles C4'-P-C4' energy: -88.399 flat angles P-C4'-P energy: -56.864 tors. eta vs tors. theta energy: 18.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2341.380497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.380497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.380497 (E_RNA) where: Base-Base interactions energy: -1599.411 where: short stacking energy: -688.374 Base-Backbone interact. energy: -4.054 local terms energy: -737.915631 where: bonds (distance) C4'-P energy: -129.374 bonds (distance) P-C4' energy: -146.996 flat angles C4'-P-C4' energy: -159.865 flat angles P-C4'-P energy: -112.461 tors. eta vs tors. theta energy: -189.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2221.187954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.187954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.187954 (E_RNA) where: Base-Base interactions energy: -1472.863 where: short stacking energy: -655.545 Base-Backbone interact. energy: -1.698 local terms energy: -746.626843 where: bonds (distance) C4'-P energy: -147.305 bonds (distance) P-C4' energy: -158.180 flat angles C4'-P-C4' energy: -156.358 flat angles P-C4'-P energy: -96.306 tors. eta vs tors. theta energy: -188.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1948.827907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.827907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.827907 (E_RNA) where: Base-Base interactions energy: -1258.446 where: short stacking energy: -592.723 Base-Backbone interact. energy: -2.793 local terms energy: -687.588316 where: bonds (distance) C4'-P energy: -137.463 bonds (distance) P-C4' energy: -154.919 flat angles C4'-P-C4' energy: -153.221 flat angles P-C4'-P energy: -92.810 tors. eta vs tors. theta energy: -149.176 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: 4, replica: 7 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1681.733211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.733211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.733211 (E_RNA) where: Base-Base interactions energy: -1052.156 where: short stacking energy: -481.127 Base-Backbone interact. energy: -0.812 local terms energy: -628.765551 where: bonds (distance) C4'-P energy: -140.355 bonds (distance) P-C4' energy: -148.640 flat angles C4'-P-C4' energy: -135.555 flat angles P-C4'-P energy: -85.551 tors. eta vs tors. theta energy: -118.665 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: 2 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1576.589305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.589305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.589305 (E_RNA) where: Base-Base interactions energy: -964.020 where: short stacking energy: -433.899 Base-Backbone interact. energy: 0.573 local terms energy: -613.143147 where: bonds (distance) C4'-P energy: -142.705 bonds (distance) P-C4' energy: -149.191 flat angles C4'-P-C4' energy: -136.142 flat angles P-C4'-P energy: -84.166 tors. eta vs tors. theta energy: -100.939 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: 1 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1556.563774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.563774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.563774 (E_RNA) where: Base-Base interactions energy: -953.968 where: short stacking energy: -448.047 Base-Backbone interact. energy: 0.689 local terms energy: -603.285340 where: bonds (distance) C4'-P energy: -120.000 bonds (distance) P-C4' energy: -151.908 flat angles C4'-P-C4' energy: -144.862 flat angles P-C4'-P energy: -76.557 tors. eta vs tors. theta energy: -109.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1250.873694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.873694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.873694 (E_RNA) where: Base-Base interactions energy: -733.126 where: short stacking energy: -374.984 Base-Backbone interact. energy: -2.552 local terms energy: -515.195358 where: bonds (distance) C4'-P energy: -114.649 bonds (distance) P-C4' energy: -113.584 flat angles C4'-P-C4' energy: -147.574 flat angles P-C4'-P energy: -81.061 tors. eta vs tors. theta energy: -58.328 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: 9 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -908.375036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.375036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.375036 (E_RNA) where: Base-Base interactions energy: -417.439 where: short stacking energy: -279.556 Base-Backbone interact. energy: 1.740 local terms energy: -492.676360 where: bonds (distance) C4'-P energy: -123.995 bonds (distance) P-C4' energy: -143.199 flat angles C4'-P-C4' energy: -120.001 flat angles P-C4'-P energy: -74.220 tors. eta vs tors. theta energy: -31.261 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: 5 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -718.928977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.928977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.928977 (E_RNA) where: Base-Base interactions energy: -321.819 where: short stacking energy: -201.253 Base-Backbone interact. energy: -1.395 local terms energy: -395.714829 where: bonds (distance) C4'-P energy: -98.370 bonds (distance) P-C4' energy: -127.608 flat angles C4'-P-C4' energy: -120.990 flat angles P-C4'-P energy: -65.939 tors. eta vs tors. theta energy: 17.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -647.887419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.887419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.887419 (E_RNA) where: Base-Base interactions energy: -275.392 where: short stacking energy: -165.242 Base-Backbone interact. energy: 2.506 local terms energy: -375.001801 where: bonds (distance) C4'-P energy: -109.994 bonds (distance) P-C4' energy: -129.973 flat angles C4'-P-C4' energy: -106.842 flat angles P-C4'-P energy: -55.886 tors. eta vs tors. theta energy: 27.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2308.575611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.575611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.575611 (E_RNA) where: Base-Base interactions energy: -1555.399 where: short stacking energy: -676.231 Base-Backbone interact. energy: -4.723 local terms energy: -748.453336 where: bonds (distance) C4'-P energy: -140.114 bonds (distance) P-C4' energy: -154.305 flat angles C4'-P-C4' energy: -164.413 flat angles P-C4'-P energy: -96.186 tors. eta vs tors. theta energy: -193.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2206.143064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.143064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.143064 (E_RNA) where: Base-Base interactions energy: -1483.421 where: short stacking energy: -639.176 Base-Backbone interact. energy: -3.013 local terms energy: -719.709263 where: bonds (distance) C4'-P energy: -134.345 bonds (distance) P-C4' energy: -140.340 flat angles C4'-P-C4' energy: -159.255 flat angles P-C4'-P energy: -114.731 tors. eta vs tors. theta energy: -171.039 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: 6 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1983.635421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.635421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.635421 (E_RNA) where: Base-Base interactions energy: -1294.900 where: short stacking energy: -585.590 Base-Backbone interact. energy: -0.546 local terms energy: -688.189864 where: bonds (distance) C4'-P energy: -143.583 bonds (distance) P-C4' energy: -133.104 flat angles C4'-P-C4' energy: -157.861 flat angles P-C4'-P energy: -93.310 tors. eta vs tors. theta energy: -160.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1732.304188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.304188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.304188 (E_RNA) where: Base-Base interactions energy: -1105.579 where: short stacking energy: -515.963 Base-Backbone interact. energy: -0.246 local terms energy: -626.479807 where: bonds (distance) C4'-P energy: -130.607 bonds (distance) P-C4' energy: -128.230 flat angles C4'-P-C4' energy: -135.717 flat angles P-C4'-P energy: -91.979 tors. eta vs tors. theta energy: -139.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1660.882094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.882094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.882094 (E_RNA) where: Base-Base interactions energy: -1062.678 where: short stacking energy: -470.825 Base-Backbone interact. energy: 0.680 local terms energy: -598.884471 where: bonds (distance) C4'-P energy: -125.290 bonds (distance) P-C4' energy: -146.994 flat angles C4'-P-C4' energy: -132.617 flat angles P-C4'-P energy: -92.364 tors. eta vs tors. theta energy: -101.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1505.173050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.173050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.173050 (E_RNA) where: Base-Base interactions energy: -923.367 where: short stacking energy: -437.793 Base-Backbone interact. energy: -0.068 local terms energy: -581.738419 where: bonds (distance) C4'-P energy: -133.991 bonds (distance) P-C4' energy: -142.003 flat angles C4'-P-C4' energy: -142.767 flat angles P-C4'-P energy: -82.697 tors. eta vs tors. theta energy: -80.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1216.986375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.986375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.986375 (E_RNA) where: Base-Base interactions energy: -689.989 where: short stacking energy: -374.627 Base-Backbone interact. energy: 2.739 local terms energy: -529.736678 where: bonds (distance) C4'-P energy: -123.621 bonds (distance) P-C4' energy: -138.088 flat angles C4'-P-C4' energy: -110.260 flat angles P-C4'-P energy: -89.767 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: 8, replica: 9 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -993.502308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.502308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.502308 (E_RNA) where: Base-Base interactions energy: -551.691 where: short stacking energy: -294.336 Base-Backbone interact. energy: -0.169 local terms energy: -441.642440 where: bonds (distance) C4'-P energy: -122.388 bonds (distance) P-C4' energy: -134.542 flat angles C4'-P-C4' energy: -102.723 flat angles P-C4'-P energy: -60.725 tors. eta vs tors. theta energy: -21.265 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: 9, replica: 5 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -742.654733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.654733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.654733 (E_RNA) where: Base-Base interactions energy: -328.103 where: short stacking energy: -229.538 Base-Backbone interact. energy: 3.764 local terms energy: -418.314900 where: bonds (distance) C4'-P energy: -123.228 bonds (distance) P-C4' energy: -117.570 flat angles C4'-P-C4' energy: -119.733 flat angles P-C4'-P energy: -62.894 tors. eta vs tors. theta energy: 5.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -645.010339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.010339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.010339 (E_RNA) where: Base-Base interactions energy: -267.051 where: short stacking energy: -192.082 Base-Backbone interact. energy: -4.084 local terms energy: -373.875269 where: bonds (distance) C4'-P energy: -100.240 bonds (distance) P-C4' energy: -117.312 flat angles C4'-P-C4' energy: -104.160 flat angles P-C4'-P energy: -63.961 tors. eta vs tors. theta energy: 11.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2333.186131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.186131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.186131 (E_RNA) where: Base-Base interactions energy: -1566.005 where: short stacking energy: -709.080 Base-Backbone interact. energy: -6.407 local terms energy: -760.773177 where: bonds (distance) C4'-P energy: -146.235 bonds (distance) P-C4' energy: -140.660 flat angles C4'-P-C4' energy: -164.224 flat angles P-C4'-P energy: -103.643 tors. eta vs tors. theta energy: -206.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2154.859323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.859323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.859323 (E_RNA) where: Base-Base interactions energy: -1439.412 where: short stacking energy: -651.605 Base-Backbone interact. energy: 0.977 local terms energy: -716.424746 where: bonds (distance) C4'-P energy: -132.954 bonds (distance) P-C4' energy: -139.823 flat angles C4'-P-C4' energy: -156.873 flat angles P-C4'-P energy: -100.937 tors. eta vs tors. theta energy: -185.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1980.006798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.006798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.006798 (E_RNA) where: Base-Base interactions energy: -1287.561 where: short stacking energy: -608.537 Base-Backbone interact. energy: 0.883 local terms energy: -693.328938 where: bonds (distance) C4'-P energy: -135.665 bonds (distance) P-C4' energy: -141.300 flat angles C4'-P-C4' energy: -162.889 flat angles P-C4'-P energy: -87.474 tors. eta vs tors. theta energy: -166.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1765.421224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.421224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.421224 (E_RNA) where: Base-Base interactions energy: -1142.518 where: short stacking energy: -561.822 Base-Backbone interact. energy: -0.728 local terms energy: -622.175284 where: bonds (distance) C4'-P energy: -139.861 bonds (distance) P-C4' energy: -124.947 flat angles C4'-P-C4' energy: -140.806 flat angles P-C4'-P energy: -80.592 tors. eta vs tors. theta energy: -135.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1767.167861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.167861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.167861 (E_RNA) where: Base-Base interactions energy: -1127.547 where: short stacking energy: -499.026 Base-Backbone interact. energy: -1.988 local terms energy: -637.633286 where: bonds (distance) C4'-P energy: -134.313 bonds (distance) P-C4' energy: -148.080 flat angles C4'-P-C4' energy: -156.354 flat angles P-C4'-P energy: -93.463 tors. eta vs tors. theta energy: -105.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1452.930086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.930086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.930086 (E_RNA) where: Base-Base interactions energy: -913.196 where: short stacking energy: -438.413 Base-Backbone interact. energy: 2.803 local terms energy: -542.536526 where: bonds (distance) C4'-P energy: -122.483 bonds (distance) P-C4' energy: -145.683 flat angles C4'-P-C4' energy: -132.028 flat angles P-C4'-P energy: -58.368 tors. eta vs tors. theta energy: -83.975 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: 7, replica: 8 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1239.787469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.787469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.787469 (E_RNA) where: Base-Base interactions energy: -706.651 where: short stacking energy: -360.420 Base-Backbone interact. energy: 3.396 local terms energy: -536.532494 where: bonds (distance) C4'-P energy: -120.981 bonds (distance) P-C4' energy: -148.292 flat angles C4'-P-C4' energy: -124.780 flat angles P-C4'-P energy: -78.496 tors. eta vs tors. theta energy: -63.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1021.483943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.483943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.483943 (E_RNA) where: Base-Base interactions energy: -545.270 where: short stacking energy: -273.747 Base-Backbone interact. energy: -0.516 local terms energy: -475.698056 where: bonds (distance) C4'-P energy: -127.244 bonds (distance) P-C4' energy: -143.505 flat angles C4'-P-C4' energy: -101.258 flat angles P-C4'-P energy: -63.495 tors. eta vs tors. theta energy: -40.196 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: 5 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -691.845409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.845409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.845409 (E_RNA) where: Base-Base interactions energy: -305.641 where: short stacking energy: -207.663 Base-Backbone interact. energy: -0.829 local terms energy: -385.375611 where: bonds (distance) C4'-P energy: -129.610 bonds (distance) P-C4' energy: -119.781 flat angles C4'-P-C4' energy: -93.823 flat angles P-C4'-P energy: -40.782 tors. eta vs tors. theta energy: -1.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -548.956812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.956812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.956812 (E_RNA) where: Base-Base interactions energy: -195.657 where: short stacking energy: -161.241 Base-Backbone interact. energy: -0.403 local terms energy: -352.897347 where: bonds (distance) C4'-P energy: -77.531 bonds (distance) P-C4' energy: -128.615 flat angles C4'-P-C4' energy: -107.906 flat angles P-C4'-P energy: -76.860 tors. eta vs tors. theta energy: 38.014 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: 3 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2324.616026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.616026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.616026 (E_RNA) where: Base-Base interactions energy: -1538.063 where: short stacking energy: -690.652 Base-Backbone interact. energy: -1.842 local terms energy: -784.710310 where: bonds (distance) C4'-P energy: -152.937 bonds (distance) P-C4' energy: -157.127 flat angles C4'-P-C4' energy: -166.876 flat angles P-C4'-P energy: -101.632 tors. eta vs tors. theta energy: -206.138 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: 63 Temperature: 0.950000 Total energy: -2216.693117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.693117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.693117 (E_RNA) where: Base-Base interactions energy: -1499.007 where: short stacking energy: -654.878 Base-Backbone interact. energy: -5.053 local terms energy: -712.632496 where: bonds (distance) C4'-P energy: -158.864 bonds (distance) P-C4' energy: -126.792 flat angles C4'-P-C4' energy: -151.226 flat angles P-C4'-P energy: -98.790 tors. eta vs tors. theta energy: -176.960 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: 3, replica: 6 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1989.049412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.049412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.049412 (E_RNA) where: Base-Base interactions energy: -1309.000 where: short stacking energy: -616.939 Base-Backbone interact. energy: -1.377 local terms energy: -678.672492 where: bonds (distance) C4'-P energy: -128.594 bonds (distance) P-C4' energy: -140.484 flat angles C4'-P-C4' energy: -145.574 flat angles P-C4'-P energy: -101.133 tors. eta vs tors. theta energy: -162.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1771.683000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.683000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.683000 (E_RNA) where: Base-Base interactions energy: -1114.562 where: short stacking energy: -522.259 Base-Backbone interact. energy: -2.352 local terms energy: -654.768598 where: bonds (distance) C4'-P energy: -136.891 bonds (distance) P-C4' energy: -156.373 flat angles C4'-P-C4' energy: -140.999 flat angles P-C4'-P energy: -101.683 tors. eta vs tors. theta energy: -118.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1776.091545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.091545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.091545 (E_RNA) where: Base-Base interactions energy: -1149.344 where: short stacking energy: -534.764 Base-Backbone interact. energy: 0.944 local terms energy: -627.690815 where: bonds (distance) C4'-P energy: -136.758 bonds (distance) P-C4' energy: -134.324 flat angles C4'-P-C4' energy: -142.419 flat angles P-C4'-P energy: -98.968 tors. eta vs tors. theta energy: -115.222 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: 1 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1521.414582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.414582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.414582 (E_RNA) where: Base-Base interactions energy: -966.199 where: short stacking energy: -501.619 Base-Backbone interact. energy: 2.650 local terms energy: -557.865410 where: bonds (distance) C4'-P energy: -112.747 bonds (distance) P-C4' energy: -124.390 flat angles C4'-P-C4' energy: -126.898 flat angles P-C4'-P energy: -89.195 tors. eta vs tors. theta energy: -104.635 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: 8 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1249.083860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.083860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.083860 (E_RNA) where: Base-Base interactions energy: -744.437 where: short stacking energy: -370.366 Base-Backbone interact. energy: -3.844 local terms energy: -500.803256 where: bonds (distance) C4'-P energy: -132.943 bonds (distance) P-C4' energy: -115.114 flat angles C4'-P-C4' energy: -125.902 flat angles P-C4'-P energy: -72.709 tors. eta vs tors. theta energy: -54.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1040.146108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.146108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.146108 (E_RNA) where: Base-Base interactions energy: -572.368 where: short stacking energy: -290.499 Base-Backbone interact. energy: -2.667 local terms energy: -465.111293 where: bonds (distance) C4'-P energy: -126.853 bonds (distance) P-C4' energy: -146.529 flat angles C4'-P-C4' energy: -110.630 flat angles P-C4'-P energy: -55.217 tors. eta vs tors. theta energy: -25.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -663.504935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.504935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.504935 (E_RNA) where: Base-Base interactions energy: -267.582 where: short stacking energy: -189.711 Base-Backbone interact. energy: 3.470 local terms energy: -399.393422 where: bonds (distance) C4'-P energy: -135.750 bonds (distance) P-C4' energy: -121.645 flat angles C4'-P-C4' energy: -94.835 flat angles P-C4'-P energy: -68.828 tors. eta vs tors. theta energy: 21.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -549.110055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.110055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.110055 (E_RNA) where: Base-Base interactions energy: -185.526 where: short stacking energy: -167.996 Base-Backbone interact. energy: 8.544 local terms energy: -372.128325 where: bonds (distance) C4'-P energy: -130.939 bonds (distance) P-C4' energy: -111.926 flat angles C4'-P-C4' energy: -92.989 flat angles P-C4'-P energy: -59.073 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: 1, replica: 3 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2311.641416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.641416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.641416 (E_RNA) where: Base-Base interactions energy: -1536.321 where: short stacking energy: -695.161 Base-Backbone interact. energy: -2.812 local terms energy: -772.507769 where: bonds (distance) C4'-P energy: -143.840 bonds (distance) P-C4' energy: -156.026 flat angles C4'-P-C4' energy: -170.033 flat angles P-C4'-P energy: -102.844 tors. eta vs tors. theta energy: -199.765 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: 64 Temperature: 0.950000 Total energy: -2222.752564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.752564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.752564 (E_RNA) where: Base-Base interactions energy: -1468.073 where: short stacking energy: -656.590 Base-Backbone interact. energy: 0.374 local terms energy: -755.053508 where: bonds (distance) C4'-P energy: -153.796 bonds (distance) P-C4' energy: -160.680 flat angles C4'-P-C4' energy: -169.038 flat angles P-C4'-P energy: -96.918 tors. eta vs tors. theta energy: -174.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1954.704029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.704029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.704029 (E_RNA) where: Base-Base interactions energy: -1282.624 where: short stacking energy: -573.559 Base-Backbone interact. energy: -0.298 local terms energy: -671.781752 where: bonds (distance) C4'-P energy: -145.731 bonds (distance) P-C4' energy: -136.630 flat angles C4'-P-C4' energy: -158.965 flat angles P-C4'-P energy: -94.880 tors. eta vs tors. theta energy: -135.576 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: 7 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1803.949024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.949024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.949024 (E_RNA) where: Base-Base interactions energy: -1151.466 where: short stacking energy: -540.279 Base-Backbone interact. energy: -5.808 local terms energy: -646.675700 where: bonds (distance) C4'-P energy: -141.439 bonds (distance) P-C4' energy: -130.191 flat angles C4'-P-C4' energy: -136.801 flat angles P-C4'-P energy: -95.118 tors. eta vs tors. theta energy: -143.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1756.744431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.744431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.744431 (E_RNA) where: Base-Base interactions energy: -1129.959 where: short stacking energy: -502.701 Base-Backbone interact. energy: 1.238 local terms energy: -628.024109 where: bonds (distance) C4'-P energy: -139.568 bonds (distance) P-C4' energy: -136.750 flat angles C4'-P-C4' energy: -135.807 flat angles P-C4'-P energy: -81.447 tors. eta vs tors. theta energy: -134.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1530.441227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.441227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.441227 (E_RNA) where: Base-Base interactions energy: -955.530 where: short stacking energy: -470.614 Base-Backbone interact. energy: 2.471 local terms energy: -577.381912 where: bonds (distance) C4'-P energy: -117.099 bonds (distance) P-C4' energy: -122.878 flat angles C4'-P-C4' energy: -133.113 flat angles P-C4'-P energy: -94.800 tors. eta vs tors. theta energy: -109.491 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: 7, replica: 8 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1321.642186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.642186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.642186 (E_RNA) where: Base-Base interactions energy: -820.973 where: short stacking energy: -379.109 Base-Backbone interact. energy: 3.214 local terms energy: -503.883434 where: bonds (distance) C4'-P energy: -138.133 bonds (distance) P-C4' energy: -122.405 flat angles C4'-P-C4' energy: -122.369 flat angles P-C4'-P energy: -77.622 tors. eta vs tors. theta energy: -43.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1053.896485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.896485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.896485 (E_RNA) where: Base-Base interactions energy: -550.718 where: short stacking energy: -274.958 Base-Backbone interact. energy: -0.371 local terms energy: -502.808069 where: bonds (distance) C4'-P energy: -142.244 bonds (distance) P-C4' energy: -137.752 flat angles C4'-P-C4' energy: -114.798 flat angles P-C4'-P energy: -71.131 tors. eta vs tors. theta energy: -36.883 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: 9, replica: 5 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -664.888954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.888954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.888954 (E_RNA) where: Base-Base interactions energy: -289.375 where: short stacking energy: -220.006 Base-Backbone interact. energy: 6.021 local terms energy: -381.534548 where: bonds (distance) C4'-P energy: -132.719 bonds (distance) P-C4' energy: -130.727 flat angles C4'-P-C4' energy: -87.573 flat angles P-C4'-P energy: -56.502 tors. eta vs tors. theta energy: 25.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -584.918201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.918201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.918201 (E_RNA) where: Base-Base interactions energy: -193.422 where: short stacking energy: -171.885 Base-Backbone interact. energy: -1.256 local terms energy: -390.240003 where: bonds (distance) C4'-P energy: -120.174 bonds (distance) P-C4' energy: -141.800 flat angles C4'-P-C4' energy: -99.172 flat angles P-C4'-P energy: -51.911 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: 3 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2319.822194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.822194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.822194 (E_RNA) where: Base-Base interactions energy: -1565.860 where: short stacking energy: -717.370 Base-Backbone interact. energy: 2.453 local terms energy: -756.415666 where: bonds (distance) C4'-P energy: -143.530 bonds (distance) P-C4' energy: -145.342 flat angles C4'-P-C4' energy: -153.599 flat angles P-C4'-P energy: -109.786 tors. eta vs tors. theta energy: -204.159 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: 4 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2208.704180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.704180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.704180 (E_RNA) where: Base-Base interactions energy: -1507.267 where: short stacking energy: -654.631 Base-Backbone interact. energy: -0.210 local terms energy: -701.227053 where: bonds (distance) C4'-P energy: -134.671 bonds (distance) P-C4' energy: -149.725 flat angles C4'-P-C4' energy: -163.455 flat angles P-C4'-P energy: -81.865 tors. eta vs tors. theta energy: -171.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2029.745942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.745942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.745942 (E_RNA) where: Base-Base interactions energy: -1335.075 where: short stacking energy: -592.151 Base-Backbone interact. energy: -0.572 local terms energy: -694.099008 where: bonds (distance) C4'-P energy: -150.970 bonds (distance) P-C4' energy: -137.686 flat angles C4'-P-C4' energy: -154.589 flat angles P-C4'-P energy: -104.139 tors. eta vs tors. theta energy: -146.716 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: 65 Temperature: 1.050000 Total energy: -1823.581365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.581365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.581365 (E_RNA) where: Base-Base interactions energy: -1187.161 where: short stacking energy: -549.305 Base-Backbone interact. energy: -3.075 local terms energy: -633.344924 where: bonds (distance) C4'-P energy: -130.300 bonds (distance) P-C4' energy: -141.014 flat angles C4'-P-C4' energy: -143.337 flat angles P-C4'-P energy: -79.415 tors. eta vs tors. theta energy: -139.280 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: 2 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1762.321121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.321121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.321121 (E_RNA) where: Base-Base interactions energy: -1134.205 where: short stacking energy: -522.141 Base-Backbone interact. energy: 1.399 local terms energy: -629.515346 where: bonds (distance) C4'-P energy: -141.332 bonds (distance) P-C4' energy: -149.878 flat angles C4'-P-C4' energy: -136.115 flat angles P-C4'-P energy: -83.294 tors. eta vs tors. theta energy: -118.897 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: 6, replica: 1 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1477.431019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.431019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.431019 (E_RNA) where: Base-Base interactions energy: -882.924 where: short stacking energy: -448.149 Base-Backbone interact. energy: -3.807 local terms energy: -590.700083 where: bonds (distance) C4'-P energy: -140.440 bonds (distance) P-C4' energy: -129.766 flat angles C4'-P-C4' energy: -124.455 flat angles P-C4'-P energy: -83.355 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: 7, replica: 8 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1387.083685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.083685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.083685 (E_RNA) where: Base-Base interactions energy: -855.652 where: short stacking energy: -419.311 Base-Backbone interact. energy: -1.837 local terms energy: -531.910463 where: bonds (distance) C4'-P energy: -128.967 bonds (distance) P-C4' energy: -130.764 flat angles C4'-P-C4' energy: -107.516 flat angles P-C4'-P energy: -71.651 tors. eta vs tors. theta energy: -93.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 2.315 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1094.607488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.607488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.607488 (E_RNA) where: Base-Base interactions energy: -611.514 where: short stacking energy: -311.467 Base-Backbone interact. energy: 2.736 local terms energy: -485.829277 where: bonds (distance) C4'-P energy: -111.621 bonds (distance) P-C4' energy: -129.352 flat angles C4'-P-C4' energy: -132.790 flat angles P-C4'-P energy: -68.993 tors. eta vs tors. theta energy: -43.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -677.748542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.748542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.748542 (E_RNA) where: Base-Base interactions energy: -262.200 where: short stacking energy: -196.956 Base-Backbone interact. energy: 1.550 local terms energy: -417.099054 where: bonds (distance) C4'-P energy: -126.568 bonds (distance) P-C4' energy: -123.377 flat angles C4'-P-C4' energy: -108.852 flat angles P-C4'-P energy: -60.848 tors. eta vs tors. theta energy: 2.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -593.927055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.927055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.927055 (E_RNA) where: Base-Base interactions energy: -221.466 where: short stacking energy: -149.314 Base-Backbone interact. energy: 3.730 local terms energy: -376.190886 where: bonds (distance) C4'-P energy: -117.444 bonds (distance) P-C4' energy: -134.032 flat angles C4'-P-C4' energy: -109.783 flat angles P-C4'-P energy: -46.273 tors. eta vs tors. theta energy: 31.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2333.472402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.472402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.472402 (E_RNA) where: Base-Base interactions energy: -1583.732 where: short stacking energy: -699.683 Base-Backbone interact. energy: 0.020 local terms energy: -749.761108 where: bonds (distance) C4'-P energy: -144.868 bonds (distance) P-C4' energy: -151.717 flat angles C4'-P-C4' energy: -166.242 flat angles P-C4'-P energy: -90.447 tors. eta vs tors. theta energy: -196.487 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: 4 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2192.546448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.546448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.546448 (E_RNA) where: Base-Base interactions energy: -1446.828 where: short stacking energy: -667.031 Base-Backbone interact. energy: -1.666 local terms energy: -744.053076 where: bonds (distance) C4'-P energy: -146.986 bonds (distance) P-C4' energy: -161.425 flat angles C4'-P-C4' energy: -150.189 flat angles P-C4'-P energy: -111.522 tors. eta vs tors. theta energy: -173.931 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: 6 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2019.235857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.235857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.235857 (E_RNA) where: Base-Base interactions energy: -1353.543 where: short stacking energy: -576.316 Base-Backbone interact. energy: -1.754 local terms energy: -663.939216 where: bonds (distance) C4'-P energy: -133.039 bonds (distance) P-C4' energy: -151.065 flat angles C4'-P-C4' energy: -147.865 flat angles P-C4'-P energy: -87.114 tors. eta vs tors. theta energy: -144.857 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: 7 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1836.918541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.918541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.918541 (E_RNA) where: Base-Base interactions energy: -1199.763 where: short stacking energy: -539.463 Base-Backbone interact. energy: -1.807 local terms energy: -635.348374 where: bonds (distance) C4'-P energy: -136.088 bonds (distance) P-C4' energy: -141.820 flat angles C4'-P-C4' energy: -145.004 flat angles P-C4'-P energy: -83.845 tors. eta vs tors. theta energy: -128.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1772.468335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.468335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.468335 (E_RNA) where: Base-Base interactions energy: -1160.525 where: short stacking energy: -509.053 Base-Backbone interact. energy: 1.983 local terms energy: -613.926453 where: bonds (distance) C4'-P energy: -120.076 bonds (distance) P-C4' energy: -134.936 flat angles C4'-P-C4' energy: -139.118 flat angles P-C4'-P energy: -93.963 tors. eta vs tors. theta energy: -125.833 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: 1 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1510.785160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.785160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.785160 (E_RNA) where: Base-Base interactions energy: -952.113 where: short stacking energy: -447.334 Base-Backbone interact. energy: -1.968 local terms energy: -556.703776 where: bonds (distance) C4'-P energy: -135.781 bonds (distance) P-C4' energy: -132.514 flat angles C4'-P-C4' energy: -123.753 flat angles P-C4'-P energy: -77.141 tors. eta vs tors. theta energy: -87.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1477.788600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.788600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.788600 (E_RNA) where: Base-Base interactions energy: -980.618 where: short stacking energy: -453.042 Base-Backbone interact. energy: -3.606 local terms energy: -493.564552 where: bonds (distance) C4'-P energy: -124.723 bonds (distance) P-C4' energy: -104.765 flat angles C4'-P-C4' energy: -108.917 flat angles P-C4'-P energy: -83.421 tors. eta vs tors. theta energy: -71.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1075.250678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.250678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.250678 (E_RNA) where: Base-Base interactions energy: -607.765 where: short stacking energy: -307.345 Base-Backbone interact. energy: 1.550 local terms energy: -469.035207 where: bonds (distance) C4'-P energy: -114.515 bonds (distance) P-C4' energy: -124.892 flat angles C4'-P-C4' energy: -125.836 flat angles P-C4'-P energy: -72.563 tors. eta vs tors. theta energy: -31.229 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: 5 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -671.258452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.258452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.258452 (E_RNA) where: Base-Base interactions energy: -264.424 where: short stacking energy: -218.602 Base-Backbone interact. energy: 3.511 local terms energy: -410.345375 where: bonds (distance) C4'-P energy: -109.012 bonds (distance) P-C4' energy: -135.499 flat angles C4'-P-C4' energy: -114.119 flat angles P-C4'-P energy: -46.547 tors. eta vs tors. theta energy: -5.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -551.226884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.226884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.226884 (E_RNA) where: Base-Base interactions energy: -184.118 where: short stacking energy: -150.449 Base-Backbone interact. energy: 1.792 local terms energy: -368.901070 where: bonds (distance) C4'-P energy: -114.560 bonds (distance) P-C4' energy: -110.793 flat angles C4'-P-C4' energy: -92.571 flat angles P-C4'-P energy: -67.823 tors. eta vs tors. theta energy: 16.845 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: 3 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2328.288513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.288513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.288513 (E_RNA) where: Base-Base interactions energy: -1536.521 where: short stacking energy: -692.480 Base-Backbone interact. energy: -1.753 local terms energy: -790.013880 where: bonds (distance) C4'-P energy: -131.765 bonds (distance) P-C4' energy: -163.701 flat angles C4'-P-C4' energy: -179.387 flat angles P-C4'-P energy: -114.640 tors. eta vs tors. theta energy: -200.522 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: 67 Temperature: 0.950000 Total energy: -2196.813181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.813181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.813181 (E_RNA) where: Base-Base interactions energy: -1468.845 where: short stacking energy: -658.099 Base-Backbone interact. energy: 0.920 local terms energy: -728.888876 where: bonds (distance) C4'-P energy: -147.544 bonds (distance) P-C4' energy: -154.656 flat angles C4'-P-C4' energy: -151.510 flat angles P-C4'-P energy: -97.776 tors. eta vs tors. theta energy: -177.402 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: 6 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2053.527953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.527953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.527953 (E_RNA) where: Base-Base interactions energy: -1347.726 where: short stacking energy: -589.451 Base-Backbone interact. energy: -3.112 local terms energy: -702.690552 where: bonds (distance) C4'-P energy: -125.053 bonds (distance) P-C4' energy: -161.210 flat angles C4'-P-C4' energy: -159.715 flat angles P-C4'-P energy: -101.274 tors. eta vs tors. theta energy: -155.439 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: 7 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1840.612711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.612711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.612711 (E_RNA) where: Base-Base interactions energy: -1174.819 where: short stacking energy: -540.117 Base-Backbone interact. energy: -2.978 local terms energy: -662.815759 where: bonds (distance) C4'-P energy: -128.429 bonds (distance) P-C4' energy: -147.217 flat angles C4'-P-C4' energy: -152.563 flat angles P-C4'-P energy: -93.530 tors. eta vs tors. theta energy: -141.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1794.498207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.498207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.498207 (E_RNA) where: Base-Base interactions energy: -1178.342 where: short stacking energy: -522.034 Base-Backbone interact. energy: -3.564 local terms energy: -612.592555 where: bonds (distance) C4'-P energy: -132.707 bonds (distance) P-C4' energy: -139.342 flat angles C4'-P-C4' energy: -144.393 flat angles P-C4'-P energy: -76.077 tors. eta vs tors. theta energy: -120.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1607.908812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.908812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.908812 (E_RNA) where: Base-Base interactions energy: -1002.680 where: short stacking energy: -464.961 Base-Backbone interact. energy: 1.376 local terms energy: -606.604708 where: bonds (distance) C4'-P energy: -130.169 bonds (distance) P-C4' energy: -129.875 flat angles C4'-P-C4' energy: -145.528 flat angles P-C4'-P energy: -94.896 tors. eta vs tors. theta energy: -106.137 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: 7, replica: 1 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1448.461444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.461444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.461444 (E_RNA) where: Base-Base interactions energy: -924.030 where: short stacking energy: -427.601 Base-Backbone interact. energy: -0.764 local terms energy: -524.464010 where: bonds (distance) C4'-P energy: -128.386 bonds (distance) P-C4' energy: -117.356 flat angles C4'-P-C4' energy: -137.250 flat angles P-C4'-P energy: -69.474 tors. eta vs tors. theta energy: -71.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.796 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1121.954357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.954357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.954357 (E_RNA) where: Base-Base interactions energy: -605.221 where: short stacking energy: -282.038 Base-Backbone interact. energy: 2.678 local terms energy: -519.411299 where: bonds (distance) C4'-P energy: -129.041 bonds (distance) P-C4' energy: -144.766 flat angles C4'-P-C4' energy: -134.821 flat angles P-C4'-P energy: -81.985 tors. eta vs tors. theta energy: -28.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -650.047578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.047578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.047578 (E_RNA) where: Base-Base interactions energy: -249.072 where: short stacking energy: -152.130 Base-Backbone interact. energy: 0.143 local terms energy: -401.118479 where: bonds (distance) C4'-P energy: -106.988 bonds (distance) P-C4' energy: -139.046 flat angles C4'-P-C4' energy: -115.191 flat angles P-C4'-P energy: -65.778 tors. eta vs tors. theta energy: 25.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -556.947989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.947989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.947989 (E_RNA) where: Base-Base interactions energy: -177.806 where: short stacking energy: -137.618 Base-Backbone interact. energy: 0.394 local terms energy: -379.797396 where: bonds (distance) C4'-P energy: -120.392 bonds (distance) P-C4' energy: -156.688 flat angles C4'-P-C4' energy: -77.753 flat angles P-C4'-P energy: -71.435 tors. eta vs tors. theta energy: 46.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.262 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2333.237806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.237806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.237806 (E_RNA) where: Base-Base interactions energy: -1572.901 where: short stacking energy: -703.883 Base-Backbone interact. energy: 2.698 local terms energy: -763.034793 where: bonds (distance) C4'-P energy: -153.182 bonds (distance) P-C4' energy: -143.386 flat angles C4'-P-C4' energy: -169.879 flat angles P-C4'-P energy: -93.427 tors. eta vs tors. theta energy: -203.161 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: 2, replica: 4 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2213.332368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.332368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.332368 (E_RNA) where: Base-Base interactions energy: -1511.076 where: short stacking energy: -622.993 Base-Backbone interact. energy: -2.142 local terms energy: -700.114251 where: bonds (distance) C4'-P energy: -133.037 bonds (distance) P-C4' energy: -151.746 flat angles C4'-P-C4' energy: -154.572 flat angles P-C4'-P energy: -96.925 tors. eta vs tors. theta energy: -163.833 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: 6 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2009.677609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.677609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.677609 (E_RNA) where: Base-Base interactions energy: -1301.735 where: short stacking energy: -607.632 Base-Backbone interact. energy: 0.889 local terms energy: -708.832041 where: bonds (distance) C4'-P energy: -139.034 bonds (distance) P-C4' energy: -154.924 flat angles C4'-P-C4' energy: -155.873 flat angles P-C4'-P energy: -92.983 tors. eta vs tors. theta energy: -166.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1868.908802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.908802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.908802 (E_RNA) where: Base-Base interactions energy: -1214.120 where: short stacking energy: -554.577 Base-Backbone interact. energy: -3.494 local terms energy: -651.295138 where: bonds (distance) C4'-P energy: -133.405 bonds (distance) P-C4' energy: -149.813 flat angles C4'-P-C4' energy: -130.602 flat angles P-C4'-P energy: -86.442 tors. eta vs tors. theta energy: -151.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1779.461984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.461984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.461984 (E_RNA) where: Base-Base interactions energy: -1164.776 where: short stacking energy: -501.390 Base-Backbone interact. energy: 3.051 local terms energy: -617.737861 where: bonds (distance) C4'-P energy: -118.132 bonds (distance) P-C4' energy: -136.283 flat angles C4'-P-C4' energy: -146.838 flat angles P-C4'-P energy: -83.592 tors. eta vs tors. theta energy: -132.894 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: 6, replica: 8 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1612.671338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.671338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.671338 (E_RNA) where: Base-Base interactions energy: -1059.749 where: short stacking energy: -515.322 Base-Backbone interact. energy: -2.891 local terms energy: -550.030554 where: bonds (distance) C4'-P energy: -116.767 bonds (distance) P-C4' energy: -129.081 flat angles C4'-P-C4' energy: -128.041 flat angles P-C4'-P energy: -65.333 tors. eta vs tors. theta energy: -110.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1449.954948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.954948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.954948 (E_RNA) where: Base-Base interactions energy: -901.183 where: short stacking energy: -432.886 Base-Backbone interact. energy: 5.667 local terms energy: -554.438736 where: bonds (distance) C4'-P energy: -113.056 bonds (distance) P-C4' energy: -127.126 flat angles C4'-P-C4' energy: -138.950 flat angles P-C4'-P energy: -74.616 tors. eta vs tors. theta energy: -100.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1095.672435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.672435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.672435 (E_RNA) where: Base-Base interactions energy: -618.321 where: short stacking energy: -292.200 Base-Backbone interact. energy: -3.285 local terms energy: -474.066187 where: bonds (distance) C4'-P energy: -110.042 bonds (distance) P-C4' energy: -132.026 flat angles C4'-P-C4' energy: -121.320 flat angles P-C4'-P energy: -62.967 tors. eta vs tors. theta energy: -47.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -607.118197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.118197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.118197 (E_RNA) where: Base-Base interactions energy: -218.001 where: short stacking energy: -155.292 Base-Backbone interact. energy: -2.534 local terms energy: -386.582271 where: bonds (distance) C4'-P energy: -123.010 bonds (distance) P-C4' energy: -123.883 flat angles C4'-P-C4' energy: -123.942 flat angles P-C4'-P energy: -48.543 tors. eta vs tors. theta energy: 32.796 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: 10 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -554.272374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.272374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.272374 (E_RNA) where: Base-Base interactions energy: -190.722 where: short stacking energy: -139.559 Base-Backbone interact. energy: -3.377 local terms energy: -360.173658 where: bonds (distance) C4'-P energy: -105.672 bonds (distance) P-C4' energy: -142.347 flat angles C4'-P-C4' energy: -102.361 flat angles P-C4'-P energy: -34.324 tors. eta vs tors. theta energy: 24.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2323.207446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.207446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.207446 (E_RNA) where: Base-Base interactions energy: -1557.671 where: short stacking energy: -708.179 Base-Backbone interact. energy: -1.389 local terms energy: -764.148209 where: bonds (distance) C4'-P energy: -143.151 bonds (distance) P-C4' energy: -152.031 flat angles C4'-P-C4' energy: -175.576 flat angles P-C4'-P energy: -107.330 tors. eta vs tors. theta energy: -186.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2212.996369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.996369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.996369 (E_RNA) where: Base-Base interactions energy: -1498.087 where: short stacking energy: -622.718 Base-Backbone interact. energy: -1.955 local terms energy: -712.954780 where: bonds (distance) C4'-P energy: -143.656 bonds (distance) P-C4' energy: -135.989 flat angles C4'-P-C4' energy: -162.544 flat angles P-C4'-P energy: -93.155 tors. eta vs tors. theta energy: -177.611 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: 3, replica: 6 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2060.983043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.983043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.983043 (E_RNA) where: Base-Base interactions energy: -1367.114 where: short stacking energy: -648.970 Base-Backbone interact. energy: 0.272 local terms energy: -694.141124 where: bonds (distance) C4'-P energy: -123.475 bonds (distance) P-C4' energy: -143.575 flat angles C4'-P-C4' energy: -159.293 flat angles P-C4'-P energy: -98.098 tors. eta vs tors. theta energy: -169.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1862.601300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.601300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.601300 (E_RNA) where: Base-Base interactions energy: -1208.604 where: short stacking energy: -539.585 Base-Backbone interact. energy: 6.855 local terms energy: -660.852332 where: bonds (distance) C4'-P energy: -134.160 bonds (distance) P-C4' energy: -146.510 flat angles C4'-P-C4' energy: -160.637 flat angles P-C4'-P energy: -95.410 tors. eta vs tors. theta energy: -124.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1783.113284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.113284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.113284 (E_RNA) where: Base-Base interactions energy: -1173.770 where: short stacking energy: -530.792 Base-Backbone interact. energy: -2.080 local terms energy: -607.262837 where: bonds (distance) C4'-P energy: -141.072 bonds (distance) P-C4' energy: -115.249 flat angles C4'-P-C4' energy: -135.789 flat angles P-C4'-P energy: -90.082 tors. eta vs tors. theta energy: -125.071 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: 8 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1556.173771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.173771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.173771 (E_RNA) where: Base-Base interactions energy: -949.158 where: short stacking energy: -449.788 Base-Backbone interact. energy: -0.545 local terms energy: -606.469965 where: bonds (distance) C4'-P energy: -123.348 bonds (distance) P-C4' energy: -151.072 flat angles C4'-P-C4' energy: -144.423 flat angles P-C4'-P energy: -85.641 tors. eta vs tors. theta energy: -101.986 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: 1 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1453.659477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.659477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.659477 (E_RNA) where: Base-Base interactions energy: -903.257 where: short stacking energy: -422.621 Base-Backbone interact. energy: -1.390 local terms energy: -549.012746 where: bonds (distance) C4'-P energy: -105.657 bonds (distance) P-C4' energy: -135.367 flat angles C4'-P-C4' energy: -144.033 flat angles P-C4'-P energy: -82.016 tors. eta vs tors. theta energy: -81.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1157.875521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.875521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.875521 (E_RNA) where: Base-Base interactions energy: -680.825 where: short stacking energy: -342.462 Base-Backbone interact. energy: -1.989 local terms energy: -475.061662 where: bonds (distance) C4'-P energy: -128.875 bonds (distance) P-C4' energy: -119.643 flat angles C4'-P-C4' energy: -106.014 flat angles P-C4'-P energy: -70.373 tors. eta vs tors. theta energy: -50.155 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: 5 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -605.189296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.189296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.189296 (E_RNA) where: Base-Base interactions energy: -216.534 where: short stacking energy: -175.414 Base-Backbone interact. energy: -1.227 local terms energy: -387.427745 where: bonds (distance) C4'-P energy: -112.473 bonds (distance) P-C4' energy: -131.386 flat angles C4'-P-C4' energy: -94.911 flat angles P-C4'-P energy: -67.693 tors. eta vs tors. theta energy: 19.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -566.852758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.852758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.852758 (E_RNA) where: Base-Base interactions energy: -199.197 where: short stacking energy: -162.559 Base-Backbone interact. energy: -0.215 local terms energy: -367.441244 where: bonds (distance) C4'-P energy: -100.961 bonds (distance) P-C4' energy: -115.525 flat angles C4'-P-C4' energy: -111.919 flat angles P-C4'-P energy: -58.629 tors. eta vs tors. theta energy: 19.592 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: 3 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2330.835113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.835113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.835113 (E_RNA) where: Base-Base interactions energy: -1568.802 where: short stacking energy: -677.455 Base-Backbone interact. energy: -1.865 local terms energy: -760.168337 where: bonds (distance) C4'-P energy: -146.021 bonds (distance) P-C4' energy: -153.218 flat angles C4'-P-C4' energy: -170.590 flat angles P-C4'-P energy: -113.346 tors. eta vs tors. theta energy: -176.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2211.977634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.977634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.977634 (E_RNA) where: Base-Base interactions energy: -1516.133 where: short stacking energy: -651.534 Base-Backbone interact. energy: -4.219 local terms energy: -691.625701 where: bonds (distance) C4'-P energy: -139.747 bonds (distance) P-C4' energy: -144.434 flat angles C4'-P-C4' energy: -150.806 flat angles P-C4'-P energy: -91.034 tors. eta vs tors. theta energy: -165.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2073.794920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.794920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.794920 (E_RNA) where: Base-Base interactions energy: -1351.404 where: short stacking energy: -637.294 Base-Backbone interact. energy: -0.150 local terms energy: -722.240706 where: bonds (distance) C4'-P energy: -153.921 bonds (distance) P-C4' energy: -137.798 flat angles C4'-P-C4' energy: -156.528 flat angles P-C4'-P energy: -101.125 tors. eta vs tors. theta energy: -172.868 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: 4, replica: 7 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1941.439875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.439875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.439875 (E_RNA) where: Base-Base interactions energy: -1315.574 where: short stacking energy: -582.895 Base-Backbone interact. energy: -1.885 local terms energy: -623.980341 where: bonds (distance) C4'-P energy: -134.449 bonds (distance) P-C4' energy: -135.390 flat angles C4'-P-C4' energy: -126.106 flat angles P-C4'-P energy: -86.609 tors. eta vs tors. theta energy: -141.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1769.103985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.103985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.103985 (E_RNA) where: Base-Base interactions energy: -1122.419 where: short stacking energy: -534.719 Base-Backbone interact. energy: -0.738 local terms energy: -645.947578 where: bonds (distance) C4'-P energy: -137.201 bonds (distance) P-C4' energy: -144.183 flat angles C4'-P-C4' energy: -135.282 flat angles P-C4'-P energy: -86.338 tors. eta vs tors. theta energy: -142.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1616.382391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.382391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.382391 (E_RNA) where: Base-Base interactions energy: -1005.662 where: short stacking energy: -486.004 Base-Backbone interact. energy: 4.935 local terms energy: -615.656069 where: bonds (distance) C4'-P energy: -135.093 bonds (distance) P-C4' energy: -124.709 flat angles C4'-P-C4' energy: -138.947 flat angles P-C4'-P energy: -82.069 tors. eta vs tors. theta energy: -134.838 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: 1 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1413.941427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.941427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.941427 (E_RNA) where: Base-Base interactions energy: -873.897 where: short stacking energy: -414.160 Base-Backbone interact. energy: -2.470 local terms energy: -537.574319 where: bonds (distance) C4'-P energy: -114.635 bonds (distance) P-C4' energy: -138.234 flat angles C4'-P-C4' energy: -122.291 flat angles P-C4'-P energy: -76.909 tors. eta vs tors. theta energy: -85.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1018.892171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.892171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.892171 (E_RNA) where: Base-Base interactions energy: -533.201 where: short stacking energy: -256.586 Base-Backbone interact. energy: 1.204 local terms energy: -486.895493 where: bonds (distance) C4'-P energy: -124.421 bonds (distance) P-C4' energy: -134.780 flat angles C4'-P-C4' energy: -143.797 flat angles P-C4'-P energy: -65.281 tors. eta vs tors. theta energy: -18.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -628.485421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.485421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.485421 (E_RNA) where: Base-Base interactions energy: -221.066 where: short stacking energy: -177.513 Base-Backbone interact. energy: 2.773 local terms energy: -410.192724 where: bonds (distance) C4'-P energy: -125.629 bonds (distance) P-C4' energy: -144.429 flat angles C4'-P-C4' energy: -96.230 flat angles P-C4'-P energy: -68.550 tors. eta vs tors. theta energy: 24.645 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: 5 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -567.868618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.868618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.868618 (E_RNA) where: Base-Base interactions energy: -196.320 where: short stacking energy: -171.263 Base-Backbone interact. energy: -1.174 local terms energy: -370.375014 where: bonds (distance) C4'-P energy: -111.653 bonds (distance) P-C4' energy: -128.614 flat angles C4'-P-C4' energy: -98.352 flat angles P-C4'-P energy: -58.642 tors. eta vs tors. theta energy: 26.886 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: 3 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2352.054091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.054091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.054091 (E_RNA) where: Base-Base interactions energy: -1562.029 where: short stacking energy: -690.357 Base-Backbone interact. energy: -4.483 local terms energy: -785.542413 where: bonds (distance) C4'-P energy: -160.223 bonds (distance) P-C4' energy: -147.707 flat angles C4'-P-C4' energy: -159.758 flat angles P-C4'-P energy: -120.106 tors. eta vs tors. theta energy: -197.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2215.630869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.630869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.630869 (E_RNA) where: Base-Base interactions energy: -1497.975 where: short stacking energy: -655.059 Base-Backbone interact. energy: -4.398 local terms energy: -713.258437 where: bonds (distance) C4'-P energy: -138.943 bonds (distance) P-C4' energy: -144.201 flat angles C4'-P-C4' energy: -164.828 flat angles P-C4'-P energy: -101.676 tors. eta vs tors. theta energy: -163.611 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: 3, replica: 6 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2066.218737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.218737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.218737 (E_RNA) where: Base-Base interactions energy: -1365.471 where: short stacking energy: -598.414 Base-Backbone interact. energy: 0.974 local terms energy: -701.721671 where: bonds (distance) C4'-P energy: -159.142 bonds (distance) P-C4' energy: -146.074 flat angles C4'-P-C4' energy: -151.968 flat angles P-C4'-P energy: -91.144 tors. eta vs tors. theta energy: -153.394 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: 71 Temperature: 1.050000 Total energy: -1918.893003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.893003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.893003 (E_RNA) where: Base-Base interactions energy: -1275.563 where: short stacking energy: -563.857 Base-Backbone interact. energy: 2.366 local terms energy: -645.696247 where: bonds (distance) C4'-P energy: -136.369 bonds (distance) P-C4' energy: -139.790 flat angles C4'-P-C4' energy: -136.233 flat angles P-C4'-P energy: -93.697 tors. eta vs tors. theta energy: -139.608 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: 5, replica: 2 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1774.960031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.960031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.960031 (E_RNA) where: Base-Base interactions energy: -1122.733 where: short stacking energy: -505.130 Base-Backbone interact. energy: 1.517 local terms energy: -653.743787 where: bonds (distance) C4'-P energy: -136.643 bonds (distance) P-C4' energy: -146.218 flat angles C4'-P-C4' energy: -142.992 flat angles P-C4'-P energy: -105.433 tors. eta vs tors. theta energy: -122.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1652.226093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.226093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.226093 (E_RNA) where: Base-Base interactions energy: -1103.375 where: short stacking energy: -511.212 Base-Backbone interact. energy: -1.938 local terms energy: -546.913024 where: bonds (distance) C4'-P energy: -113.574 bonds (distance) P-C4' energy: -125.308 flat angles C4'-P-C4' energy: -117.215 flat angles P-C4'-P energy: -80.294 tors. eta vs tors. theta energy: -110.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1395.076224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.076224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.076224 (E_RNA) where: Base-Base interactions energy: -874.648 where: short stacking energy: -420.215 Base-Backbone interact. energy: 4.788 local terms energy: -525.216338 where: bonds (distance) C4'-P energy: -106.865 bonds (distance) P-C4' energy: -150.145 flat angles C4'-P-C4' energy: -115.240 flat angles P-C4'-P energy: -73.410 tors. eta vs tors. theta energy: -79.556 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: 9 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1086.611313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.611313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.611313 (E_RNA) where: Base-Base interactions energy: -608.723 where: short stacking energy: -297.829 Base-Backbone interact. energy: -1.463 local terms energy: -476.424613 where: bonds (distance) C4'-P energy: -105.491 bonds (distance) P-C4' energy: -132.500 flat angles C4'-P-C4' energy: -127.059 flat angles P-C4'-P energy: -80.755 tors. eta vs tors. theta energy: -30.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -620.033162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.033162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.033162 (E_RNA) where: Base-Base interactions energy: -230.938 where: short stacking energy: -179.920 Base-Backbone interact. energy: 2.308 local terms energy: -391.402175 where: bonds (distance) C4'-P energy: -107.659 bonds (distance) P-C4' energy: -125.441 flat angles C4'-P-C4' energy: -107.592 flat angles P-C4'-P energy: -73.932 tors. eta vs tors. theta energy: 23.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -550.507103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.507103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.507103 (E_RNA) where: Base-Base interactions energy: -194.332 where: short stacking energy: -165.950 Base-Backbone interact. energy: -3.276 local terms energy: -352.898681 where: bonds (distance) C4'-P energy: -112.740 bonds (distance) P-C4' energy: -121.503 flat angles C4'-P-C4' energy: -94.903 flat angles P-C4'-P energy: -55.205 tors. eta vs tors. theta energy: 31.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2342.261041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.261041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.261041 (E_RNA) where: Base-Base interactions energy: -1581.338 where: short stacking energy: -732.096 Base-Backbone interact. energy: -1.962 local terms energy: -758.960929 where: bonds (distance) C4'-P energy: -136.538 bonds (distance) P-C4' energy: -141.914 flat angles C4'-P-C4' energy: -172.668 flat angles P-C4'-P energy: -101.954 tors. eta vs tors. theta energy: -205.886 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: 2, replica: 4 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2186.102548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.102548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.102548 (E_RNA) where: Base-Base interactions energy: -1461.419 where: short stacking energy: -642.891 Base-Backbone interact. energy: -3.706 local terms energy: -720.977678 where: bonds (distance) C4'-P energy: -135.889 bonds (distance) P-C4' energy: -169.156 flat angles C4'-P-C4' energy: -154.538 flat angles P-C4'-P energy: -93.008 tors. eta vs tors. theta energy: -168.387 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: 3, replica: 6 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2059.046275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.046275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.046275 (E_RNA) where: Base-Base interactions energy: -1360.589 where: short stacking energy: -574.185 Base-Backbone interact. energy: -1.289 local terms energy: -697.168737 where: bonds (distance) C4'-P energy: -119.661 bonds (distance) P-C4' energy: -149.951 flat angles C4'-P-C4' energy: -159.458 flat angles P-C4'-P energy: -110.263 tors. eta vs tors. theta energy: -157.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1868.951531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.951531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.951531 (E_RNA) where: Base-Base interactions energy: -1220.674 where: short stacking energy: -555.494 Base-Backbone interact. energy: 2.413 local terms energy: -650.690287 where: bonds (distance) C4'-P energy: -117.701 bonds (distance) P-C4' energy: -145.159 flat angles C4'-P-C4' energy: -144.648 flat angles P-C4'-P energy: -101.632 tors. eta vs tors. theta energy: -141.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1797.950814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.950814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.950814 (E_RNA) where: Base-Base interactions energy: -1168.717 where: short stacking energy: -511.372 Base-Backbone interact. energy: 0.355 local terms energy: -629.588772 where: bonds (distance) C4'-P energy: -131.400 bonds (distance) P-C4' energy: -139.318 flat angles C4'-P-C4' energy: -145.420 flat angles P-C4'-P energy: -92.426 tors. eta vs tors. theta energy: -121.025 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: 8 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1638.920127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.920127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.920127 (E_RNA) where: Base-Base interactions energy: -1021.168 where: short stacking energy: -484.372 Base-Backbone interact. energy: -4.753 local terms energy: -612.998406 where: bonds (distance) C4'-P energy: -131.510 bonds (distance) P-C4' energy: -138.125 flat angles C4'-P-C4' energy: -142.822 flat angles P-C4'-P energy: -86.841 tors. eta vs tors. theta energy: -113.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1429.048891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.048891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.048891 (E_RNA) where: Base-Base interactions energy: -873.503 where: short stacking energy: -411.725 Base-Backbone interact. energy: -0.761 local terms energy: -554.785065 where: bonds (distance) C4'-P energy: -137.252 bonds (distance) P-C4' energy: -128.189 flat angles C4'-P-C4' energy: -136.162 flat angles P-C4'-P energy: -71.647 tors. eta vs tors. theta energy: -81.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1135.882792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.882792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.882792 (E_RNA) where: Base-Base interactions energy: -666.369 where: short stacking energy: -340.575 Base-Backbone interact. energy: -0.772 local terms energy: -468.742664 where: bonds (distance) C4'-P energy: -120.227 bonds (distance) P-C4' energy: -125.413 flat angles C4'-P-C4' energy: -112.413 flat angles P-C4'-P energy: -77.697 tors. eta vs tors. theta energy: -32.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -647.611159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.611159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.611159 (E_RNA) where: Base-Base interactions energy: -218.088 where: short stacking energy: -175.463 Base-Backbone interact. energy: -4.684 local terms energy: -424.839536 where: bonds (distance) C4'-P energy: -128.286 bonds (distance) P-C4' energy: -115.671 flat angles C4'-P-C4' energy: -110.758 flat angles P-C4'-P energy: -71.084 tors. eta vs tors. theta energy: 0.959 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: 5 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -600.261509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.261509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.261509 (E_RNA) where: Base-Base interactions energy: -250.842 where: short stacking energy: -200.395 Base-Backbone interact. energy: 0.096 local terms energy: -349.515415 where: bonds (distance) C4'-P energy: -114.181 bonds (distance) P-C4' energy: -115.629 flat angles C4'-P-C4' energy: -79.852 flat angles P-C4'-P energy: -56.172 tors. eta vs tors. theta energy: 16.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2363.863773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.863773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.863773 (E_RNA) where: Base-Base interactions energy: -1593.589 where: short stacking energy: -714.855 Base-Backbone interact. energy: -0.869 local terms energy: -769.405734 where: bonds (distance) C4'-P energy: -155.474 bonds (distance) P-C4' energy: -143.742 flat angles C4'-P-C4' energy: -164.628 flat angles P-C4'-P energy: -109.486 tors. eta vs tors. theta energy: -196.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2225.557058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.557058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.557058 (E_RNA) where: Base-Base interactions energy: -1514.397 where: short stacking energy: -647.061 Base-Backbone interact. energy: -1.906 local terms energy: -709.254037 where: bonds (distance) C4'-P energy: -144.366 bonds (distance) P-C4' energy: -139.138 flat angles C4'-P-C4' energy: -149.067 flat angles P-C4'-P energy: -103.104 tors. eta vs tors. theta energy: -173.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2081.459260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.459260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.459260 (E_RNA) where: Base-Base interactions energy: -1395.831 where: short stacking energy: -601.076 Base-Backbone interact. energy: -4.152 local terms energy: -681.476665 where: bonds (distance) C4'-P energy: -142.917 bonds (distance) P-C4' energy: -136.469 flat angles C4'-P-C4' energy: -153.762 flat angles P-C4'-P energy: -102.504 tors. eta vs tors. theta energy: -145.824 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: 7 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1921.547189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.547189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.547189 (E_RNA) where: Base-Base interactions energy: -1239.488 where: short stacking energy: -562.610 Base-Backbone interact. energy: 1.494 local terms energy: -683.553105 where: bonds (distance) C4'-P energy: -150.786 bonds (distance) P-C4' energy: -140.425 flat angles C4'-P-C4' energy: -154.007 flat angles P-C4'-P energy: -98.165 tors. eta vs tors. theta energy: -140.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1803.923236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.923236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.923236 (E_RNA) where: Base-Base interactions energy: -1180.023 where: short stacking energy: -533.831 Base-Backbone interact. energy: 1.471 local terms energy: -625.371992 where: bonds (distance) C4'-P energy: -132.251 bonds (distance) P-C4' energy: -142.453 flat angles C4'-P-C4' energy: -137.512 flat angles P-C4'-P energy: -88.653 tors. eta vs tors. theta energy: -124.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1637.343913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.343913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.343913 (E_RNA) where: Base-Base interactions energy: -1041.775 where: short stacking energy: -498.683 Base-Backbone interact. energy: 1.205 local terms energy: -596.774431 where: bonds (distance) C4'-P energy: -133.995 bonds (distance) P-C4' energy: -136.384 flat angles C4'-P-C4' energy: -139.373 flat angles P-C4'-P energy: -81.635 tors. eta vs tors. theta energy: -105.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1523.310845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.310845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.310845 (E_RNA) where: Base-Base interactions energy: -931.055 where: short stacking energy: -443.185 Base-Backbone interact. energy: -0.824 local terms energy: -591.431352 where: bonds (distance) C4'-P energy: -128.129 bonds (distance) P-C4' energy: -144.887 flat angles C4'-P-C4' energy: -146.605 flat angles P-C4'-P energy: -80.335 tors. eta vs tors. theta energy: -91.476 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: 9 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1163.103360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.103360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.103360 (E_RNA) where: Base-Base interactions energy: -677.427 where: short stacking energy: -329.606 Base-Backbone interact. energy: -2.667 local terms energy: -483.558920 where: bonds (distance) C4'-P energy: -120.529 bonds (distance) P-C4' energy: -126.834 flat angles C4'-P-C4' energy: -110.180 flat angles P-C4'-P energy: -77.805 tors. eta vs tors. theta energy: -48.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.550 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -581.202130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.202130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.202130 (E_RNA) where: Base-Base interactions energy: -181.162 where: short stacking energy: -166.277 Base-Backbone interact. energy: 1.446 local terms energy: -401.485661 where: bonds (distance) C4'-P energy: -119.768 bonds (distance) P-C4' energy: -112.152 flat angles C4'-P-C4' energy: -136.020 flat angles P-C4'-P energy: -65.395 tors. eta vs tors. theta energy: 31.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -562.870858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.870858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.870858 (E_RNA) where: Base-Base interactions energy: -197.088 where: short stacking energy: -185.733 Base-Backbone interact. energy: 2.580 local terms energy: -368.362737 where: bonds (distance) C4'-P energy: -106.435 bonds (distance) P-C4' energy: -123.400 flat angles C4'-P-C4' energy: -95.977 flat angles P-C4'-P energy: -73.366 tors. eta vs tors. theta energy: 30.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2329.051040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.051040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.051040 (E_RNA) where: Base-Base interactions energy: -1557.369 where: short stacking energy: -709.726 Base-Backbone interact. energy: -3.068 local terms energy: -768.613917 where: bonds (distance) C4'-P energy: -145.611 bonds (distance) P-C4' energy: -153.580 flat angles C4'-P-C4' energy: -156.978 flat angles P-C4'-P energy: -107.480 tors. eta vs tors. theta energy: -204.964 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: 4 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2303.646178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.646178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.646178 (E_RNA) where: Base-Base interactions energy: -1564.444 where: short stacking energy: -670.170 Base-Backbone interact. energy: -4.491 local terms energy: -734.710672 where: bonds (distance) C4'-P energy: -123.211 bonds (distance) P-C4' energy: -151.358 flat angles C4'-P-C4' energy: -159.618 flat angles P-C4'-P energy: -104.145 tors. eta vs tors. theta energy: -196.379 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: 6 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2096.089708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.089708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.089708 (E_RNA) where: Base-Base interactions energy: -1416.220 where: short stacking energy: -623.401 Base-Backbone interact. energy: -0.634 local terms energy: -679.235638 where: bonds (distance) C4'-P energy: -124.658 bonds (distance) P-C4' energy: -147.975 flat angles C4'-P-C4' energy: -167.950 flat angles P-C4'-P energy: -85.402 tors. eta vs tors. theta energy: -153.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1881.843592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.843592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.843592 (E_RNA) where: Base-Base interactions energy: -1212.580 where: short stacking energy: -567.134 Base-Backbone interact. energy: 1.976 local terms energy: -671.239279 where: bonds (distance) C4'-P energy: -144.253 bonds (distance) P-C4' energy: -139.530 flat angles C4'-P-C4' energy: -147.701 flat angles P-C4'-P energy: -98.872 tors. eta vs tors. theta energy: -140.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1790.351212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.351212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.351212 (E_RNA) where: Base-Base interactions energy: -1172.186 where: short stacking energy: -528.875 Base-Backbone interact. energy: 2.920 local terms energy: -621.084721 where: bonds (distance) C4'-P energy: -108.030 bonds (distance) P-C4' energy: -119.523 flat angles C4'-P-C4' energy: -160.169 flat angles P-C4'-P energy: -102.020 tors. eta vs tors. theta energy: -131.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1622.452415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.452415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.452415 (E_RNA) where: Base-Base interactions energy: -997.599 where: short stacking energy: -473.084 Base-Backbone interact. energy: -0.076 local terms energy: -624.777493 where: bonds (distance) C4'-P energy: -138.036 bonds (distance) P-C4' energy: -135.091 flat angles C4'-P-C4' energy: -138.812 flat angles P-C4'-P energy: -96.767 tors. eta vs tors. theta energy: -116.071 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: 1 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1376.884052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.884052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.884052 (E_RNA) where: Base-Base interactions energy: -868.572 where: short stacking energy: -414.523 Base-Backbone interact. energy: -3.800 local terms energy: -504.512354 where: bonds (distance) C4'-P energy: -101.119 bonds (distance) P-C4' energy: -123.904 flat angles C4'-P-C4' energy: -115.503 flat angles P-C4'-P energy: -98.615 tors. eta vs tors. theta energy: -65.372 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: 9 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1142.412222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.412222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.412222 (E_RNA) where: Base-Base interactions energy: -666.634 where: short stacking energy: -295.813 Base-Backbone interact. energy: -4.056 local terms energy: -471.721866 where: bonds (distance) C4'-P energy: -121.870 bonds (distance) P-C4' energy: -135.897 flat angles C4'-P-C4' energy: -99.986 flat angles P-C4'-P energy: -80.663 tors. eta vs tors. theta energy: -33.306 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: 74 Temperature: 1.300000 Total energy: -644.785779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.785779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.785779 (E_RNA) where: Base-Base interactions energy: -247.596 where: short stacking energy: -186.577 Base-Backbone interact. energy: 0.254 local terms energy: -397.443729 where: bonds (distance) C4'-P energy: -115.905 bonds (distance) P-C4' energy: -134.722 flat angles C4'-P-C4' energy: -111.432 flat angles P-C4'-P energy: -53.673 tors. eta vs tors. theta energy: 18.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -586.801764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.801764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.801764 (E_RNA) where: Base-Base interactions energy: -200.884 where: short stacking energy: -172.241 Base-Backbone interact. energy: -0.271 local terms energy: -385.646929 where: bonds (distance) C4'-P energy: -118.412 bonds (distance) P-C4' energy: -119.698 flat angles C4'-P-C4' energy: -101.237 flat angles P-C4'-P energy: -73.236 tors. eta vs tors. theta energy: 26.937 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: 3 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2333.095826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.095826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.095826 (E_RNA) where: Base-Base interactions energy: -1532.518 where: short stacking energy: -711.972 Base-Backbone interact. energy: -4.620 local terms energy: -795.958454 where: bonds (distance) C4'-P energy: -163.027 bonds (distance) P-C4' energy: -154.862 flat angles C4'-P-C4' energy: -167.795 flat angles P-C4'-P energy: -114.919 tors. eta vs tors. theta energy: -195.355 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: 75 Temperature: 0.950000 Total energy: -2338.491354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.491354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.491354 (E_RNA) where: Base-Base interactions energy: -1595.456 where: short stacking energy: -669.967 Base-Backbone interact. energy: -1.207 local terms energy: -741.828466 where: bonds (distance) C4'-P energy: -144.918 bonds (distance) P-C4' energy: -149.486 flat angles C4'-P-C4' energy: -164.105 flat angles P-C4'-P energy: -92.341 tors. eta vs tors. theta energy: -190.979 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: 75 Temperature: 1.000000 Total energy: -2075.941370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.941370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.941370 (E_RNA) where: Base-Base interactions energy: -1424.642 where: short stacking energy: -640.406 Base-Backbone interact. energy: 4.526 local terms energy: -655.825167 where: bonds (distance) C4'-P energy: -138.012 bonds (distance) P-C4' energy: -135.427 flat angles C4'-P-C4' energy: -131.045 flat angles P-C4'-P energy: -88.262 tors. eta vs tors. theta energy: -163.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1919.442454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.442454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.442454 (E_RNA) where: Base-Base interactions energy: -1262.076 where: short stacking energy: -590.088 Base-Backbone interact. energy: -4.260 local terms energy: -653.106431 where: bonds (distance) C4'-P energy: -120.333 bonds (distance) P-C4' energy: -153.081 flat angles C4'-P-C4' energy: -157.732 flat angles P-C4'-P energy: -83.563 tors. eta vs tors. theta energy: -138.397 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: 2 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1853.366922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.366922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.366922 (E_RNA) where: Base-Base interactions energy: -1208.985 where: short stacking energy: -537.307 Base-Backbone interact. energy: 0.913 local terms energy: -645.294815 where: bonds (distance) C4'-P energy: -128.002 bonds (distance) P-C4' energy: -121.456 flat angles C4'-P-C4' energy: -161.416 flat angles P-C4'-P energy: -95.115 tors. eta vs tors. theta energy: -139.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1673.420246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.420246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.420246 (E_RNA) where: Base-Base interactions energy: -1067.916 where: short stacking energy: -504.174 Base-Backbone interact. energy: 2.634 local terms energy: -608.138439 where: bonds (distance) C4'-P energy: -135.264 bonds (distance) P-C4' energy: -123.034 flat angles C4'-P-C4' energy: -137.512 flat angles P-C4'-P energy: -82.986 tors. eta vs tors. theta energy: -129.343 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: 75 Temperature: 1.200000 Total energy: -1399.064718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.064718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.064718 (E_RNA) where: Base-Base interactions energy: -879.539 where: short stacking energy: -396.416 Base-Backbone interact. energy: 0.879 local terms energy: -520.405329 where: bonds (distance) C4'-P energy: -104.197 bonds (distance) P-C4' energy: -130.951 flat angles C4'-P-C4' energy: -121.736 flat angles P-C4'-P energy: -68.542 tors. eta vs tors. theta energy: -94.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1187.461505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.461505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.461505 (E_RNA) where: Base-Base interactions energy: -682.640 where: short stacking energy: -319.891 Base-Backbone interact. energy: 0.137 local terms energy: -504.959244 where: bonds (distance) C4'-P energy: -119.015 bonds (distance) P-C4' energy: -133.187 flat angles C4'-P-C4' energy: -119.809 flat angles P-C4'-P energy: -84.287 tors. eta vs tors. theta energy: -48.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -665.870600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.870600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.870600 (E_RNA) where: Base-Base interactions energy: -286.627 where: short stacking energy: -208.256 Base-Backbone interact. energy: 1.967 local terms energy: -381.210712 where: bonds (distance) C4'-P energy: -112.264 bonds (distance) P-C4' energy: -118.409 flat angles C4'-P-C4' energy: -120.306 flat angles P-C4'-P energy: -42.577 tors. eta vs tors. theta energy: 12.346 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: 5 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -586.327352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.327352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.327352 (E_RNA) where: Base-Base interactions energy: -197.444 where: short stacking energy: -166.153 Base-Backbone interact. energy: -3.633 local terms energy: -385.250581 where: bonds (distance) C4'-P energy: -118.758 bonds (distance) P-C4' energy: -120.981 flat angles C4'-P-C4' energy: -112.208 flat angles P-C4'-P energy: -40.720 tors. eta vs tors. theta energy: 7.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2340.921845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.921845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.921845 (E_RNA) where: Base-Base interactions energy: -1561.695 where: short stacking energy: -722.099 Base-Backbone interact. energy: -0.778 local terms energy: -778.449377 where: bonds (distance) C4'-P energy: -146.554 bonds (distance) P-C4' energy: -150.341 flat angles C4'-P-C4' energy: -164.736 flat angles P-C4'-P energy: -113.855 tors. eta vs tors. theta energy: -202.963 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: 4 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2319.142767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.142767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.142767 (E_RNA) where: Base-Base interactions energy: -1631.150 where: short stacking energy: -669.526 Base-Backbone interact. energy: -1.343 local terms energy: -686.649994 where: bonds (distance) C4'-P energy: -140.183 bonds (distance) P-C4' energy: -143.961 flat angles C4'-P-C4' energy: -137.663 flat angles P-C4'-P energy: -81.135 tors. eta vs tors. theta energy: -183.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2091.435144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.435144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.435144 (E_RNA) where: Base-Base interactions energy: -1403.200 where: short stacking energy: -583.398 Base-Backbone interact. energy: -5.319 local terms energy: -682.916782 where: bonds (distance) C4'-P energy: -142.294 bonds (distance) P-C4' energy: -141.824 flat angles C4'-P-C4' energy: -154.010 flat angles P-C4'-P energy: -98.253 tors. eta vs tors. theta energy: -146.536 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: 4, replica: 7 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1922.679784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.679784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.679784 (E_RNA) where: Base-Base interactions energy: -1271.999 where: short stacking energy: -578.494 Base-Backbone interact. energy: -3.266 local terms energy: -647.414641 where: bonds (distance) C4'-P energy: -125.890 bonds (distance) P-C4' energy: -143.588 flat angles C4'-P-C4' energy: -154.900 flat angles P-C4'-P energy: -99.135 tors. eta vs tors. theta energy: -123.901 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: 5, replica: 2 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1807.317307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.317307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.317307 (E_RNA) where: Base-Base interactions energy: -1206.760 where: short stacking energy: -517.430 Base-Backbone interact. energy: -1.865 local terms energy: -598.692102 where: bonds (distance) C4'-P energy: -116.976 bonds (distance) P-C4' energy: -137.754 flat angles C4'-P-C4' energy: -138.483 flat angles P-C4'-P energy: -91.136 tors. eta vs tors. theta energy: -114.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1651.047106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.047106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.047106 (E_RNA) where: Base-Base interactions energy: -1064.783 where: short stacking energy: -476.717 Base-Backbone interact. energy: 3.413 local terms energy: -589.677509 where: bonds (distance) C4'-P energy: -125.922 bonds (distance) P-C4' energy: -132.711 flat angles C4'-P-C4' energy: -133.300 flat angles P-C4'-P energy: -83.596 tors. eta vs tors. theta energy: -114.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1417.059217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.059217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.059217 (E_RNA) where: Base-Base interactions energy: -883.101 where: short stacking energy: -429.565 Base-Backbone interact. energy: 1.431 local terms energy: -535.389046 where: bonds (distance) C4'-P energy: -104.870 bonds (distance) P-C4' energy: -129.208 flat angles C4'-P-C4' energy: -128.232 flat angles P-C4'-P energy: -85.434 tors. eta vs tors. theta energy: -87.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1143.929839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.929839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.929839 (E_RNA) where: Base-Base interactions energy: -680.987 where: short stacking energy: -363.714 Base-Backbone interact. energy: -1.732 local terms energy: -461.211249 where: bonds (distance) C4'-P energy: -121.234 bonds (distance) P-C4' energy: -116.198 flat angles C4'-P-C4' energy: -104.424 flat angles P-C4'-P energy: -62.398 tors. eta vs tors. theta energy: -56.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -627.622559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.622559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.622559 (E_RNA) where: Base-Base interactions energy: -244.439 where: short stacking energy: -201.892 Base-Backbone interact. energy: 8.114 local terms energy: -391.298236 where: bonds (distance) C4'-P energy: -119.181 bonds (distance) P-C4' energy: -123.830 flat angles C4'-P-C4' energy: -118.845 flat angles P-C4'-P energy: -45.180 tors. eta vs tors. theta energy: 15.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -642.384881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.384881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.384881 (E_RNA) where: Base-Base interactions energy: -254.688 where: short stacking energy: -198.529 Base-Backbone interact. energy: 1.725 local terms energy: -389.421190 where: bonds (distance) C4'-P energy: -131.817 bonds (distance) P-C4' energy: -121.475 flat angles C4'-P-C4' energy: -90.251 flat angles P-C4'-P energy: -63.450 tors. eta vs tors. theta energy: 17.572 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: 3 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2345.739451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.739451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.739451 (E_RNA) where: Base-Base interactions energy: -1576.755 where: short stacking energy: -713.277 Base-Backbone interact. energy: -2.630 local terms energy: -766.353973 where: bonds (distance) C4'-P energy: -147.663 bonds (distance) P-C4' energy: -149.160 flat angles C4'-P-C4' energy: -165.668 flat angles P-C4'-P energy: -115.473 tors. eta vs tors. theta energy: -188.390 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: 77 Temperature: 0.950000 Total energy: -2340.052454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.052454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.052454 (E_RNA) where: Base-Base interactions energy: -1607.207 where: short stacking energy: -683.929 Base-Backbone interact. energy: -6.398 local terms energy: -726.447853 where: bonds (distance) C4'-P energy: -124.334 bonds (distance) P-C4' energy: -142.788 flat angles C4'-P-C4' energy: -167.122 flat angles P-C4'-P energy: -103.895 tors. eta vs tors. theta energy: -188.309 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: 3, replica: 6 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2071.223877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.223877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.223877 (E_RNA) where: Base-Base interactions energy: -1393.781 where: short stacking energy: -625.750 Base-Backbone interact. energy: 0.650 local terms energy: -678.093005 where: bonds (distance) C4'-P energy: -142.651 bonds (distance) P-C4' energy: -134.940 flat angles C4'-P-C4' energy: -150.145 flat angles P-C4'-P energy: -90.823 tors. eta vs tors. theta energy: -159.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1953.872129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.872129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.872129 (E_RNA) where: Base-Base interactions energy: -1293.287 where: short stacking energy: -567.866 Base-Backbone interact. energy: -0.485 local terms energy: -660.099856 where: bonds (distance) C4'-P energy: -138.535 bonds (distance) P-C4' energy: -131.627 flat angles C4'-P-C4' energy: -150.010 flat angles P-C4'-P energy: -108.091 tors. eta vs tors. theta energy: -131.837 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: 2 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1809.796090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.796090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.796090 (E_RNA) where: Base-Base interactions energy: -1166.872 where: short stacking energy: -509.978 Base-Backbone interact. energy: -4.369 local terms energy: -638.554170 where: bonds (distance) C4'-P energy: -127.388 bonds (distance) P-C4' energy: -145.774 flat angles C4'-P-C4' energy: -154.009 flat angles P-C4'-P energy: -82.189 tors. eta vs tors. theta energy: -129.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1580.075163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.075163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.075163 (E_RNA) where: Base-Base interactions energy: -1020.686 where: short stacking energy: -468.111 Base-Backbone interact. energy: -0.847 local terms energy: -558.542415 where: bonds (distance) C4'-P energy: -114.710 bonds (distance) P-C4' energy: -135.338 flat angles C4'-P-C4' energy: -138.690 flat angles P-C4'-P energy: -87.751 tors. eta vs tors. theta energy: -82.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1499.125163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.125163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.125163 (E_RNA) where: Base-Base interactions energy: -941.808 where: short stacking energy: -438.989 Base-Backbone interact. energy: -2.156 local terms energy: -555.161867 where: bonds (distance) C4'-P energy: -116.242 bonds (distance) P-C4' energy: -127.924 flat angles C4'-P-C4' energy: -113.490 flat angles P-C4'-P energy: -102.658 tors. eta vs tors. theta energy: -94.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1152.134284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.134284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.134284 (E_RNA) where: Base-Base interactions energy: -695.880 where: short stacking energy: -350.633 Base-Backbone interact. energy: 3.655 local terms energy: -459.909353 where: bonds (distance) C4'-P energy: -120.922 bonds (distance) P-C4' energy: -137.249 flat angles C4'-P-C4' energy: -93.078 flat angles P-C4'-P energy: -71.704 tors. eta vs tors. theta energy: -36.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -691.695835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.695835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.695835 (E_RNA) where: Base-Base interactions energy: -249.241 where: short stacking energy: -200.593 Base-Backbone interact. energy: 1.833 local terms energy: -444.288069 where: bonds (distance) C4'-P energy: -128.958 bonds (distance) P-C4' energy: -135.937 flat angles C4'-P-C4' energy: -105.673 flat angles P-C4'-P energy: -59.739 tors. eta vs tors. theta energy: -13.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -672.436206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.436206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.436206 (E_RNA) where: Base-Base interactions energy: -307.917 where: short stacking energy: -206.682 Base-Backbone interact. energy: 4.566 local terms energy: -369.085290 where: bonds (distance) C4'-P energy: -89.877 bonds (distance) P-C4' energy: -136.179 flat angles C4'-P-C4' energy: -74.958 flat angles P-C4'-P energy: -68.934 tors. eta vs tors. theta energy: 0.862 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: 4 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2377.717187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.717187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.717187 (E_RNA) where: Base-Base interactions energy: -1635.878 where: short stacking energy: -697.244 Base-Backbone interact. energy: -4.410 local terms energy: -737.428719 where: bonds (distance) C4'-P energy: -144.242 bonds (distance) P-C4' energy: -140.544 flat angles C4'-P-C4' energy: -164.597 flat angles P-C4'-P energy: -91.060 tors. eta vs tors. theta energy: -196.986 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: 3 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2284.936003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.936003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.936003 (E_RNA) where: Base-Base interactions energy: -1527.229 where: short stacking energy: -682.918 Base-Backbone interact. energy: -2.784 local terms energy: -754.922802 where: bonds (distance) C4'-P energy: -139.431 bonds (distance) P-C4' energy: -142.378 flat angles C4'-P-C4' energy: -168.285 flat angles P-C4'-P energy: -119.228 tors. eta vs tors. theta energy: -185.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2012.312190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.312190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.312190 (E_RNA) where: Base-Base interactions energy: -1317.149 where: short stacking energy: -605.902 Base-Backbone interact. energy: -1.286 local terms energy: -693.877961 where: bonds (distance) C4'-P energy: -148.636 bonds (distance) P-C4' energy: -127.776 flat angles C4'-P-C4' energy: -160.449 flat angles P-C4'-P energy: -101.782 tors. eta vs tors. theta energy: -155.236 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: 7 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1864.481313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.481313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.481313 (E_RNA) where: Base-Base interactions energy: -1239.831 where: short stacking energy: -566.629 Base-Backbone interact. energy: -0.086 local terms energy: -624.564967 where: bonds (distance) C4'-P energy: -129.095 bonds (distance) P-C4' energy: -138.737 flat angles C4'-P-C4' energy: -145.196 flat angles P-C4'-P energy: -76.255 tors. eta vs tors. theta energy: -135.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1816.393910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.393910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.393910 (E_RNA) where: Base-Base interactions energy: -1187.527 where: short stacking energy: -509.771 Base-Backbone interact. energy: -1.777 local terms energy: -627.089600 where: bonds (distance) C4'-P energy: -129.746 bonds (distance) P-C4' energy: -140.003 flat angles C4'-P-C4' energy: -128.439 flat angles P-C4'-P energy: -102.908 tors. eta vs tors. theta energy: -125.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1627.976086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.976086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.976086 (E_RNA) where: Base-Base interactions energy: -1042.281 where: short stacking energy: -480.380 Base-Backbone interact. energy: -1.901 local terms energy: -583.793424 where: bonds (distance) C4'-P energy: -120.189 bonds (distance) P-C4' energy: -139.263 flat angles C4'-P-C4' energy: -129.009 flat angles P-C4'-P energy: -82.526 tors. eta vs tors. theta energy: -112.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1444.807730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.807730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.807730 (E_RNA) where: Base-Base interactions energy: -903.864 where: short stacking energy: -418.744 Base-Backbone interact. energy: -2.141 local terms energy: -538.802955 where: bonds (distance) C4'-P energy: -127.675 bonds (distance) P-C4' energy: -149.665 flat angles C4'-P-C4' energy: -124.717 flat angles P-C4'-P energy: -67.234 tors. eta vs tors. theta energy: -69.513 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: 8, replica: 9 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1128.862442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.862442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.862442 (E_RNA) where: Base-Base interactions energy: -621.004 where: short stacking energy: -312.306 Base-Backbone interact. energy: 0.327 local terms energy: -508.185756 where: bonds (distance) C4'-P energy: -126.612 bonds (distance) P-C4' energy: -140.921 flat angles C4'-P-C4' energy: -120.561 flat angles P-C4'-P energy: -88.508 tors. eta vs tors. theta energy: -31.584 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: 78 Temperature: 1.300000 Total energy: -672.963288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.963288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.963288 (E_RNA) where: Base-Base interactions energy: -267.495 where: short stacking energy: -229.892 Base-Backbone interact. energy: 1.783 local terms energy: -407.250989 where: bonds (distance) C4'-P energy: -112.435 bonds (distance) P-C4' energy: -123.044 flat angles C4'-P-C4' energy: -110.319 flat angles P-C4'-P energy: -71.673 tors. eta vs tors. theta energy: 10.220 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: 5 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -684.143571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.143571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.143571 (E_RNA) where: Base-Base interactions energy: -307.891 where: short stacking energy: -233.052 Base-Backbone interact. energy: 0.522 local terms energy: -376.774784 where: bonds (distance) C4'-P energy: -108.337 bonds (distance) P-C4' energy: -111.644 flat angles C4'-P-C4' energy: -104.216 flat angles P-C4'-P energy: -55.648 tors. eta vs tors. theta energy: 3.070 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: 4 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2410.783278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.783278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.783278 (E_RNA) where: Base-Base interactions energy: -1641.087 where: short stacking energy: -702.930 Base-Backbone interact. energy: -2.951 local terms energy: -766.745416 where: bonds (distance) C4'-P energy: -145.400 bonds (distance) P-C4' energy: -156.083 flat angles C4'-P-C4' energy: -168.329 flat angles P-C4'-P energy: -99.794 tors. eta vs tors. theta energy: -197.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2248.211531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.211531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.211531 (E_RNA) where: Base-Base interactions energy: -1498.891 where: short stacking energy: -648.561 Base-Backbone interact. energy: -0.415 local terms energy: -748.905689 where: bonds (distance) C4'-P energy: -150.813 bonds (distance) P-C4' energy: -155.241 flat angles C4'-P-C4' energy: -169.630 flat angles P-C4'-P energy: -103.082 tors. eta vs tors. theta energy: -170.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2035.478061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.478061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.478061 (E_RNA) where: Base-Base interactions energy: -1360.721 where: short stacking energy: -570.360 Base-Backbone interact. energy: -5.853 local terms energy: -668.904687 where: bonds (distance) C4'-P energy: -127.436 bonds (distance) P-C4' energy: -146.612 flat angles C4'-P-C4' energy: -162.915 flat angles P-C4'-P energy: -80.130 tors. eta vs tors. theta energy: -151.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1872.450953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.450953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.450953 (E_RNA) where: Base-Base interactions energy: -1201.510 where: short stacking energy: -562.983 Base-Backbone interact. energy: -0.559 local terms energy: -670.381675 where: bonds (distance) C4'-P energy: -151.902 bonds (distance) P-C4' energy: -119.656 flat angles C4'-P-C4' energy: -165.727 flat angles P-C4'-P energy: -93.492 tors. eta vs tors. theta energy: -139.604 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: 2 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1869.544013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.544013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.544013 (E_RNA) where: Base-Base interactions energy: -1198.045 where: short stacking energy: -554.875 Base-Backbone interact. energy: 1.562 local terms energy: -673.060867 where: bonds (distance) C4'-P energy: -121.174 bonds (distance) P-C4' energy: -153.535 flat angles C4'-P-C4' energy: -141.862 flat angles P-C4'-P energy: -98.008 tors. eta vs tors. theta energy: -158.481 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: 8 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1680.606221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.606221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.606221 (E_RNA) where: Base-Base interactions energy: -1079.580 where: short stacking energy: -487.912 Base-Backbone interact. energy: -1.734 local terms energy: -599.292143 where: bonds (distance) C4'-P energy: -131.754 bonds (distance) P-C4' energy: -133.994 flat angles C4'-P-C4' energy: -138.018 flat angles P-C4'-P energy: -85.881 tors. eta vs tors. theta energy: -109.645 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: 1 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1462.156794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.156794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.156794 (E_RNA) where: Base-Base interactions energy: -911.877 where: short stacking energy: -397.245 Base-Backbone interact. energy: -1.477 local terms energy: -548.802752 where: bonds (distance) C4'-P energy: -136.755 bonds (distance) P-C4' energy: -140.730 flat angles C4'-P-C4' energy: -121.396 flat angles P-C4'-P energy: -76.420 tors. eta vs tors. theta energy: -73.503 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: 8, replica: 9 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1129.391056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.391056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.391056 (E_RNA) where: Base-Base interactions energy: -661.083 where: short stacking energy: -315.411 Base-Backbone interact. energy: 0.510 local terms energy: -468.817694 where: bonds (distance) C4'-P energy: -124.656 bonds (distance) P-C4' energy: -131.183 flat angles C4'-P-C4' energy: -111.011 flat angles P-C4'-P energy: -60.760 tors. eta vs tors. theta energy: -41.208 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: 79 Temperature: 1.300000 Total energy: -657.484040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.484040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.484040 (E_RNA) where: Base-Base interactions energy: -252.364 where: short stacking energy: -173.544 Base-Backbone interact. energy: -1.599 local terms energy: -403.520587 where: bonds (distance) C4'-P energy: -109.722 bonds (distance) P-C4' energy: -135.811 flat angles C4'-P-C4' energy: -114.738 flat angles P-C4'-P energy: -68.776 tors. eta vs tors. theta energy: 25.528 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: 10, replica: 5 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -588.574786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.574786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.574786 (E_RNA) where: Base-Base interactions energy: -202.667 where: short stacking energy: -173.674 Base-Backbone interact. energy: -0.445 local terms energy: -385.462714 where: bonds (distance) C4'-P energy: -134.975 bonds (distance) P-C4' energy: -108.616 flat angles C4'-P-C4' energy: -106.190 flat angles P-C4'-P energy: -53.632 tors. eta vs tors. theta energy: 17.951 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: 1, replica: 4 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2388.553159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.553159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.553159 (E_RNA) where: Base-Base interactions energy: -1649.196 where: short stacking energy: -700.537 Base-Backbone interact. energy: -1.545 local terms energy: -737.812571 where: bonds (distance) C4'-P energy: -140.020 bonds (distance) P-C4' energy: -153.726 flat angles C4'-P-C4' energy: -162.489 flat angles P-C4'-P energy: -90.985 tors. eta vs tors. theta energy: -190.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2247.451428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.451428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.451428 (E_RNA) where: Base-Base interactions energy: -1522.262 where: short stacking energy: -659.157 Base-Backbone interact. energy: -2.711 local terms energy: -722.478511 where: bonds (distance) C4'-P energy: -137.199 bonds (distance) P-C4' energy: -142.421 flat angles C4'-P-C4' energy: -162.511 flat angles P-C4'-P energy: -100.597 tors. eta vs tors. theta energy: -179.750 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: 6 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2037.847880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.847880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.847880 (E_RNA) where: Base-Base interactions energy: -1367.333 where: short stacking energy: -611.516 Base-Backbone interact. energy: -2.446 local terms energy: -668.069614 where: bonds (distance) C4'-P energy: -126.460 bonds (distance) P-C4' energy: -133.281 flat angles C4'-P-C4' energy: -145.834 flat angles P-C4'-P energy: -108.191 tors. eta vs tors. theta energy: -154.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1832.774312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.774312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.774312 (E_RNA) where: Base-Base interactions energy: -1193.767 where: short stacking energy: -553.771 Base-Backbone interact. energy: -1.556 local terms energy: -637.451781 where: bonds (distance) C4'-P energy: -136.235 bonds (distance) P-C4' energy: -136.075 flat angles C4'-P-C4' energy: -149.077 flat angles P-C4'-P energy: -85.597 tors. eta vs tors. theta energy: -130.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1876.616146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.616146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.616146 (E_RNA) where: Base-Base interactions energy: -1227.704 where: short stacking energy: -555.855 Base-Backbone interact. energy: -0.256 local terms energy: -648.655602 where: bonds (distance) C4'-P energy: -136.943 bonds (distance) P-C4' energy: -145.182 flat angles C4'-P-C4' energy: -134.838 flat angles P-C4'-P energy: -90.648 tors. eta vs tors. theta energy: -141.044 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: 8 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1707.926801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.926801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.926801 (E_RNA) where: Base-Base interactions energy: -1089.909 where: short stacking energy: -517.674 Base-Backbone interact. energy: -2.377 local terms energy: -615.640520 where: bonds (distance) C4'-P energy: -123.219 bonds (distance) P-C4' energy: -122.583 flat angles C4'-P-C4' energy: -155.904 flat angles P-C4'-P energy: -92.209 tors. eta vs tors. theta energy: -121.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1420.677498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.677498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.677498 (E_RNA) where: Base-Base interactions energy: -888.111 where: short stacking energy: -414.138 Base-Backbone interact. energy: 5.207 local terms energy: -537.773756 where: bonds (distance) C4'-P energy: -110.454 bonds (distance) P-C4' energy: -142.267 flat angles C4'-P-C4' energy: -130.873 flat angles P-C4'-P energy: -68.065 tors. eta vs tors. theta energy: -86.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1206.151376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.151376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.151376 (E_RNA) where: Base-Base interactions energy: -707.744 where: short stacking energy: -346.123 Base-Backbone interact. energy: -2.804 local terms energy: -495.602967 where: bonds (distance) C4'-P energy: -120.138 bonds (distance) P-C4' energy: -134.473 flat angles C4'-P-C4' energy: -102.879 flat angles P-C4'-P energy: -87.025 tors. eta vs tors. theta energy: -51.088 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: 10 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -716.903178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.903178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.903178 (E_RNA) where: Base-Base interactions energy: -290.299 where: short stacking energy: -190.076 Base-Backbone interact. energy: -1.246 local terms energy: -425.358191 where: bonds (distance) C4'-P energy: -131.966 bonds (distance) P-C4' energy: -146.306 flat angles C4'-P-C4' energy: -94.520 flat angles P-C4'-P energy: -68.165 tors. eta vs tors. theta energy: 15.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -627.402708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.402708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.402708 (E_RNA) where: Base-Base interactions energy: -235.643 where: short stacking energy: -152.981 Base-Backbone interact. energy: 1.667 local terms energy: -393.426717 where: bonds (distance) C4'-P energy: -121.680 bonds (distance) P-C4' energy: -123.336 flat angles C4'-P-C4' energy: -107.200 flat angles P-C4'-P energy: -59.128 tors. eta vs tors. theta energy: 17.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2396.033165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.033165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.033165 (E_RNA) where: Base-Base interactions energy: -1625.420 where: short stacking energy: -679.053 Base-Backbone interact. energy: -2.528 local terms energy: -768.084972 where: bonds (distance) C4'-P energy: -140.872 bonds (distance) P-C4' energy: -171.192 flat angles C4'-P-C4' energy: -165.874 flat angles P-C4'-P energy: -110.358 tors. eta vs tors. theta energy: -179.790 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: 2, replica: 3 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2240.769437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.769437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.769437 (E_RNA) where: Base-Base interactions energy: -1510.787 where: short stacking energy: -680.526 Base-Backbone interact. energy: 1.140 local terms energy: -731.122826 where: bonds (distance) C4'-P energy: -128.212 bonds (distance) P-C4' energy: -150.001 flat angles C4'-P-C4' energy: -155.123 flat angles P-C4'-P energy: -105.548 tors. eta vs tors. theta energy: -192.239 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: 3, replica: 6 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2116.580334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.580334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.580334 (E_RNA) where: Base-Base interactions energy: -1445.956 where: short stacking energy: -644.544 Base-Backbone interact. energy: 0.745 local terms energy: -671.368993 where: bonds (distance) C4'-P energy: -131.291 bonds (distance) P-C4' energy: -146.817 flat angles C4'-P-C4' energy: -145.995 flat angles P-C4'-P energy: -95.086 tors. eta vs tors. theta energy: -152.180 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: 7 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1832.146030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.146030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.146030 (E_RNA) where: Base-Base interactions energy: -1184.594 where: short stacking energy: -586.046 Base-Backbone interact. energy: -0.740 local terms energy: -646.811955 where: bonds (distance) C4'-P energy: -133.542 bonds (distance) P-C4' energy: -147.627 flat angles C4'-P-C4' energy: -127.543 flat angles P-C4'-P energy: -98.756 tors. eta vs tors. theta energy: -139.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1813.927269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.927269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.927269 (E_RNA) where: Base-Base interactions energy: -1200.545 where: short stacking energy: -550.607 Base-Backbone interact. energy: -1.129 local terms energy: -612.253163 where: bonds (distance) C4'-P energy: -124.377 bonds (distance) P-C4' energy: -131.658 flat angles C4'-P-C4' energy: -135.168 flat angles P-C4'-P energy: -76.244 tors. eta vs tors. theta energy: -144.806 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: 6, replica: 8 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1697.580885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.580885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.580885 (E_RNA) where: Base-Base interactions energy: -1070.090 where: short stacking energy: -500.569 Base-Backbone interact. energy: -1.269 local terms energy: -626.221019 where: bonds (distance) C4'-P energy: -135.968 bonds (distance) P-C4' energy: -136.823 flat angles C4'-P-C4' energy: -140.708 flat angles P-C4'-P energy: -82.438 tors. eta vs tors. theta energy: -130.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1349.758480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.758480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.758480 (E_RNA) where: Base-Base interactions energy: -863.130 where: short stacking energy: -396.902 Base-Backbone interact. energy: 4.441 local terms energy: -491.069422 where: bonds (distance) C4'-P energy: -102.991 bonds (distance) P-C4' energy: -126.153 flat angles C4'-P-C4' energy: -120.482 flat angles P-C4'-P energy: -82.685 tors. eta vs tors. theta energy: -58.758 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: 9 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1219.445772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.445772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.445772 (E_RNA) where: Base-Base interactions energy: -728.307 where: short stacking energy: -349.535 Base-Backbone interact. energy: 5.457 local terms energy: -496.959203 where: bonds (distance) C4'-P energy: -134.703 bonds (distance) P-C4' energy: -125.593 flat angles C4'-P-C4' energy: -117.007 flat angles P-C4'-P energy: -66.868 tors. eta vs tors. theta energy: -52.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.363 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -682.146396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.146396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.146396 (E_RNA) where: Base-Base interactions energy: -253.572 where: short stacking energy: -185.780 Base-Backbone interact. energy: -2.487 local terms energy: -426.087081 where: bonds (distance) C4'-P energy: -108.665 bonds (distance) P-C4' energy: -139.665 flat angles C4'-P-C4' energy: -117.356 flat angles P-C4'-P energy: -74.194 tors. eta vs tors. theta energy: 13.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -642.958738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.958738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.958738 (E_RNA) where: Base-Base interactions energy: -261.923 where: short stacking energy: -207.989 Base-Backbone interact. energy: 4.269 local terms energy: -385.305180 where: bonds (distance) C4'-P energy: -116.717 bonds (distance) P-C4' energy: -129.107 flat angles C4'-P-C4' energy: -112.798 flat angles P-C4'-P energy: -47.906 tors. eta vs tors. theta energy: 21.223 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: 4 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2374.014218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.014218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.014218 (E_RNA) where: Base-Base interactions energy: -1617.543 where: short stacking energy: -679.646 Base-Backbone interact. energy: -2.435 local terms energy: -754.036252 where: bonds (distance) C4'-P energy: -132.761 bonds (distance) P-C4' energy: -161.074 flat angles C4'-P-C4' energy: -161.280 flat angles P-C4'-P energy: -98.621 tors. eta vs tors. theta energy: -200.301 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: 2, replica: 3 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2237.062740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.062740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.062740 (E_RNA) where: Base-Base interactions energy: -1489.761 where: short stacking energy: -667.841 Base-Backbone interact. energy: -1.501 local terms energy: -745.800587 where: bonds (distance) C4'-P energy: -135.164 bonds (distance) P-C4' energy: -146.456 flat angles C4'-P-C4' energy: -168.931 flat angles P-C4'-P energy: -109.050 tors. eta vs tors. theta energy: -186.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2061.003183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.003183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.003183 (E_RNA) where: Base-Base interactions energy: -1387.017 where: short stacking energy: -606.076 Base-Backbone interact. energy: -2.375 local terms energy: -671.610767 where: bonds (distance) C4'-P energy: -137.165 bonds (distance) P-C4' energy: -143.206 flat angles C4'-P-C4' energy: -145.622 flat angles P-C4'-P energy: -89.809 tors. eta vs tors. theta energy: -155.808 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: 7 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1872.921438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.921438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.921438 (E_RNA) where: Base-Base interactions energy: -1195.619 where: short stacking energy: -578.665 Base-Backbone interact. energy: -3.006 local terms energy: -674.296073 where: bonds (distance) C4'-P energy: -137.388 bonds (distance) P-C4' energy: -145.905 flat angles C4'-P-C4' energy: -143.482 flat angles P-C4'-P energy: -101.669 tors. eta vs tors. theta energy: -145.852 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: 8 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1805.558399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.558399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.558399 (E_RNA) where: Base-Base interactions energy: -1182.540 where: short stacking energy: -535.473 Base-Backbone interact. energy: 1.955 local terms energy: -624.973162 where: bonds (distance) C4'-P energy: -126.357 bonds (distance) P-C4' energy: -140.725 flat angles C4'-P-C4' energy: -142.909 flat angles P-C4'-P energy: -79.755 tors. eta vs tors. theta energy: -135.227 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: 82 Temperature: 1.150000 Total energy: -1753.758121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.758121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.758121 (E_RNA) where: Base-Base interactions energy: -1117.093 where: short stacking energy: -504.665 Base-Backbone interact. energy: -0.617 local terms energy: -636.048248 where: bonds (distance) C4'-P energy: -126.922 bonds (distance) P-C4' energy: -142.166 flat angles C4'-P-C4' energy: -145.783 flat angles P-C4'-P energy: -97.922 tors. eta vs tors. theta energy: -123.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1365.799943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.799943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.799943 (E_RNA) where: Base-Base interactions energy: -835.243 where: short stacking energy: -391.018 Base-Backbone interact. energy: -2.965 local terms energy: -527.592515 where: bonds (distance) C4'-P energy: -114.861 bonds (distance) P-C4' energy: -133.262 flat angles C4'-P-C4' energy: -135.467 flat angles P-C4'-P energy: -78.835 tors. eta vs tors. theta energy: -65.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1072.148424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.148424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.148424 (E_RNA) where: Base-Base interactions energy: -601.168 where: short stacking energy: -322.409 Base-Backbone interact. energy: -2.798 local terms energy: -468.182590 where: bonds (distance) C4'-P energy: -126.984 bonds (distance) P-C4' energy: -109.821 flat angles C4'-P-C4' energy: -108.706 flat angles P-C4'-P energy: -92.797 tors. eta vs tors. theta energy: -29.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -659.770825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.770825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.770825 (E_RNA) where: Base-Base interactions energy: -262.027 where: short stacking energy: -184.553 Base-Backbone interact. energy: 1.113 local terms energy: -398.856433 where: bonds (distance) C4'-P energy: -124.173 bonds (distance) P-C4' energy: -128.509 flat angles C4'-P-C4' energy: -92.455 flat angles P-C4'-P energy: -60.780 tors. eta vs tors. theta energy: 7.061 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: 10, replica: 5 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -544.173821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.173821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.173821 (E_RNA) where: Base-Base interactions energy: -183.287 where: short stacking energy: -145.236 Base-Backbone interact. energy: -4.544 local terms energy: -356.342843 where: bonds (distance) C4'-P energy: -121.013 bonds (distance) P-C4' energy: -119.705 flat angles C4'-P-C4' energy: -97.657 flat angles P-C4'-P energy: -45.404 tors. eta vs tors. theta energy: 27.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2416.583717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.583717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.583717 (E_RNA) where: Base-Base interactions energy: -1631.908 where: short stacking energy: -698.038 Base-Backbone interact. energy: -2.749 local terms energy: -781.926728 where: bonds (distance) C4'-P energy: -160.314 bonds (distance) P-C4' energy: -147.989 flat angles C4'-P-C4' energy: -167.019 flat angles P-C4'-P energy: -100.335 tors. eta vs tors. theta energy: -206.269 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: 2, replica: 3 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2272.943703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.943703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.943703 (E_RNA) where: Base-Base interactions energy: -1540.579 where: short stacking energy: -689.970 Base-Backbone interact. energy: -1.625 local terms energy: -730.739594 where: bonds (distance) C4'-P energy: -148.787 bonds (distance) P-C4' energy: -131.844 flat angles C4'-P-C4' energy: -157.333 flat angles P-C4'-P energy: -97.146 tors. eta vs tors. theta energy: -195.629 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: 83 Temperature: 1.000000 Total energy: -2083.424110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.424110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.424110 (E_RNA) where: Base-Base interactions energy: -1384.283 where: short stacking energy: -605.479 Base-Backbone interact. energy: -1.987 local terms energy: -697.153990 where: bonds (distance) C4'-P energy: -143.576 bonds (distance) P-C4' energy: -140.981 flat angles C4'-P-C4' energy: -158.622 flat angles P-C4'-P energy: -95.217 tors. eta vs tors. theta energy: -158.758 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: 4, replica: 8 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1891.559713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.559713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.559713 (E_RNA) where: Base-Base interactions energy: -1234.558 where: short stacking energy: -594.153 Base-Backbone interact. energy: -1.867 local terms energy: -655.134889 where: bonds (distance) C4'-P energy: -142.124 bonds (distance) P-C4' energy: -132.094 flat angles C4'-P-C4' energy: -153.182 flat angles P-C4'-P energy: -95.303 tors. eta vs tors. theta energy: -132.431 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: 83 Temperature: 1.100000 Total energy: -1836.590149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.590149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.590149 (E_RNA) where: Base-Base interactions energy: -1198.898 where: short stacking energy: -544.651 Base-Backbone interact. energy: -0.304 local terms energy: -637.388843 where: bonds (distance) C4'-P energy: -133.073 bonds (distance) P-C4' energy: -138.226 flat angles C4'-P-C4' energy: -136.971 flat angles P-C4'-P energy: -89.775 tors. eta vs tors. theta energy: -139.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1715.058944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.058944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.058944 (E_RNA) where: Base-Base interactions energy: -1152.718 where: short stacking energy: -520.549 Base-Backbone interact. energy: 2.679 local terms energy: -565.020057 where: bonds (distance) C4'-P energy: -127.301 bonds (distance) P-C4' energy: -121.779 flat angles C4'-P-C4' energy: -142.189 flat angles P-C4'-P energy: -72.404 tors. eta vs tors. theta energy: -101.348 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: 7, replica: 1 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1368.939005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.939005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.939005 (E_RNA) where: Base-Base interactions energy: -832.857 where: short stacking energy: -402.643 Base-Backbone interact. energy: 0.759 local terms energy: -536.841157 where: bonds (distance) C4'-P energy: -118.511 bonds (distance) P-C4' energy: -136.995 flat angles C4'-P-C4' energy: -125.861 flat angles P-C4'-P energy: -74.030 tors. eta vs tors. theta energy: -81.444 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: 9 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1146.492073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.492073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.492073 (E_RNA) where: Base-Base interactions energy: -665.214 where: short stacking energy: -367.813 Base-Backbone interact. energy: -0.351 local terms energy: -480.926741 where: bonds (distance) C4'-P energy: -117.297 bonds (distance) P-C4' energy: -125.426 flat angles C4'-P-C4' energy: -108.419 flat angles P-C4'-P energy: -67.147 tors. eta vs tors. theta energy: -62.638 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: 10 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -665.516804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.516804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.516804 (E_RNA) where: Base-Base interactions energy: -250.830 where: short stacking energy: -166.953 Base-Backbone interact. energy: 1.993 local terms energy: -416.679742 where: bonds (distance) C4'-P energy: -131.583 bonds (distance) P-C4' energy: -113.377 flat angles C4'-P-C4' energy: -108.263 flat angles P-C4'-P energy: -94.968 tors. eta vs tors. theta energy: 31.511 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: 5 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -573.712753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.712753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.712753 (E_RNA) where: Base-Base interactions energy: -222.448 where: short stacking energy: -171.835 Base-Backbone interact. energy: 1.662 local terms energy: -352.926687 where: bonds (distance) C4'-P energy: -117.143 bonds (distance) P-C4' energy: -130.624 flat angles C4'-P-C4' energy: -68.865 flat angles P-C4'-P energy: -58.007 tors. eta vs tors. theta energy: 21.713 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: 4 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2384.865515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.865515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.865515 (E_RNA) where: Base-Base interactions energy: -1633.198 where: short stacking energy: -706.850 Base-Backbone interact. energy: -2.745 local terms energy: -748.922816 where: bonds (distance) C4'-P energy: -144.191 bonds (distance) P-C4' energy: -154.674 flat angles C4'-P-C4' energy: -149.512 flat angles P-C4'-P energy: -114.342 tors. eta vs tors. theta energy: -186.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2217.327847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.327847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.327847 (E_RNA) where: Base-Base interactions energy: -1489.239 where: short stacking energy: -670.856 Base-Backbone interact. energy: -2.311 local terms energy: -725.777026 where: bonds (distance) C4'-P energy: -144.209 bonds (distance) P-C4' energy: -138.956 flat angles C4'-P-C4' energy: -156.942 flat angles P-C4'-P energy: -98.238 tors. eta vs tors. theta energy: -187.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2104.609172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.609172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.609172 (E_RNA) where: Base-Base interactions energy: -1416.421 where: short stacking energy: -639.478 Base-Backbone interact. energy: 2.003 local terms energy: -690.191019 where: bonds (distance) C4'-P energy: -129.800 bonds (distance) P-C4' energy: -139.713 flat angles C4'-P-C4' energy: -149.288 flat angles P-C4'-P energy: -103.150 tors. eta vs tors. theta energy: -168.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1916.028338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.028338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.028338 (E_RNA) where: Base-Base interactions energy: -1249.260 where: short stacking energy: -558.683 Base-Backbone interact. energy: 1.851 local terms energy: -668.619130 where: bonds (distance) C4'-P energy: -156.929 bonds (distance) P-C4' energy: -137.625 flat angles C4'-P-C4' energy: -145.890 flat angles P-C4'-P energy: -87.845 tors. eta vs tors. theta energy: -140.330 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: 7 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1828.860745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.860745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.860745 (E_RNA) where: Base-Base interactions energy: -1190.671 where: short stacking energy: -542.561 Base-Backbone interact. energy: -1.879 local terms energy: -636.310821 where: bonds (distance) C4'-P energy: -129.231 bonds (distance) P-C4' energy: -129.367 flat angles C4'-P-C4' energy: -155.445 flat angles P-C4'-P energy: -89.881 tors. eta vs tors. theta energy: -132.387 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: 84 Temperature: 1.150000 Total energy: -1701.511263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.511263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.511263 (E_RNA) where: Base-Base interactions energy: -1120.908 where: short stacking energy: -505.797 Base-Backbone interact. energy: 0.480 local terms energy: -581.083507 where: bonds (distance) C4'-P energy: -129.712 bonds (distance) P-C4' energy: -120.059 flat angles C4'-P-C4' energy: -122.392 flat angles P-C4'-P energy: -85.511 tors. eta vs tors. theta energy: -123.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1351.079813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.079813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.079813 (E_RNA) where: Base-Base interactions energy: -829.059 where: short stacking energy: -382.051 Base-Backbone interact. energy: 2.199 local terms energy: -524.219717 where: bonds (distance) C4'-P energy: -114.618 bonds (distance) P-C4' energy: -154.443 flat angles C4'-P-C4' energy: -128.381 flat angles P-C4'-P energy: -73.755 tors. eta vs tors. theta energy: -53.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1175.201797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.201797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.201797 (E_RNA) where: Base-Base interactions energy: -696.811 where: short stacking energy: -324.151 Base-Backbone interact. energy: 0.255 local terms energy: -478.646220 where: bonds (distance) C4'-P energy: -114.392 bonds (distance) P-C4' energy: -122.139 flat angles C4'-P-C4' energy: -128.197 flat angles P-C4'-P energy: -64.293 tors. eta vs tors. theta energy: -49.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -677.579841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.579841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.579841 (E_RNA) where: Base-Base interactions energy: -274.113 where: short stacking energy: -197.595 Base-Backbone interact. energy: -2.198 local terms energy: -401.268648 where: bonds (distance) C4'-P energy: -100.895 bonds (distance) P-C4' energy: -131.619 flat angles C4'-P-C4' energy: -102.309 flat angles P-C4'-P energy: -68.369 tors. eta vs tors. theta energy: 1.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -608.128059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.128059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.128059 (E_RNA) where: Base-Base interactions energy: -236.532 where: short stacking energy: -164.682 Base-Backbone interact. energy: -3.316 local terms energy: -368.280392 where: bonds (distance) C4'-P energy: -86.992 bonds (distance) P-C4' energy: -133.326 flat angles C4'-P-C4' energy: -103.514 flat angles P-C4'-P energy: -63.181 tors. eta vs tors. theta energy: 18.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2375.308523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.308523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.308523 (E_RNA) where: Base-Base interactions energy: -1621.595 where: short stacking energy: -665.631 Base-Backbone interact. energy: -3.278 local terms energy: -750.436096 where: bonds (distance) C4'-P energy: -139.146 bonds (distance) P-C4' energy: -159.577 flat angles C4'-P-C4' energy: -154.902 flat angles P-C4'-P energy: -113.480 tors. eta vs tors. theta energy: -183.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2233.431066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.431066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.431066 (E_RNA) where: Base-Base interactions energy: -1502.798 where: short stacking energy: -644.101 Base-Backbone interact. energy: -1.649 local terms energy: -728.984335 where: bonds (distance) C4'-P energy: -134.445 bonds (distance) P-C4' energy: -149.683 flat angles C4'-P-C4' energy: -159.486 flat angles P-C4'-P energy: -112.689 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: 3, replica: 6 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2080.907782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.907782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.907782 (E_RNA) where: Base-Base interactions energy: -1398.621 where: short stacking energy: -591.876 Base-Backbone interact. energy: -2.412 local terms energy: -679.875080 where: bonds (distance) C4'-P energy: -126.884 bonds (distance) P-C4' energy: -159.506 flat angles C4'-P-C4' energy: -148.735 flat angles P-C4'-P energy: -90.323 tors. eta vs tors. theta energy: -154.427 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: 4, replica: 7 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1848.054250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.054250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.054250 (E_RNA) where: Base-Base interactions energy: -1183.235 where: short stacking energy: -552.047 Base-Backbone interact. energy: -1.684 local terms energy: -663.135068 where: bonds (distance) C4'-P energy: -143.045 bonds (distance) P-C4' energy: -145.108 flat angles C4'-P-C4' energy: -150.569 flat angles P-C4'-P energy: -79.760 tors. eta vs tors. theta energy: -144.653 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: 8 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1820.418754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.418754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.418754 (E_RNA) where: Base-Base interactions energy: -1186.481 where: short stacking energy: -541.596 Base-Backbone interact. energy: -1.133 local terms energy: -632.804761 where: bonds (distance) C4'-P energy: -127.026 bonds (distance) P-C4' energy: -150.472 flat angles C4'-P-C4' energy: -143.558 flat angles P-C4'-P energy: -92.106 tors. eta vs tors. theta energy: -119.643 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: 6, replica: 2 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1667.983467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.983467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.983467 (E_RNA) where: Base-Base interactions energy: -1097.721 where: short stacking energy: -465.611 Base-Backbone interact. energy: -2.397 local terms energy: -567.865479 where: bonds (distance) C4'-P energy: -125.234 bonds (distance) P-C4' energy: -121.324 flat angles C4'-P-C4' energy: -131.756 flat angles P-C4'-P energy: -92.243 tors. eta vs tors. theta energy: -97.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1318.163522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.163522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.163522 (E_RNA) where: Base-Base interactions energy: -798.103 where: short stacking energy: -394.147 Base-Backbone interact. energy: -0.558 local terms energy: -519.502500 where: bonds (distance) C4'-P energy: -137.660 bonds (distance) P-C4' energy: -123.849 flat angles C4'-P-C4' energy: -128.480 flat angles P-C4'-P energy: -65.248 tors. eta vs tors. theta energy: -64.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1183.659654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.659654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.659654 (E_RNA) where: Base-Base interactions energy: -679.602 where: short stacking energy: -326.368 Base-Backbone interact. energy: 1.327 local terms energy: -505.384282 where: bonds (distance) C4'-P energy: -124.417 bonds (distance) P-C4' energy: -140.554 flat angles C4'-P-C4' energy: -124.048 flat angles P-C4'-P energy: -78.203 tors. eta vs tors. theta energy: -38.162 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: 5 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -684.992871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.992871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.992871 (E_RNA) where: Base-Base interactions energy: -278.474 where: short stacking energy: -198.660 Base-Backbone interact. energy: 2.607 local terms energy: -409.125679 where: bonds (distance) C4'-P energy: -106.777 bonds (distance) P-C4' energy: -132.090 flat angles C4'-P-C4' energy: -114.760 flat angles P-C4'-P energy: -77.031 tors. eta vs tors. theta energy: 21.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -579.063001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.063001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.063001 (E_RNA) where: Base-Base interactions energy: -208.521 where: short stacking energy: -195.408 Base-Backbone interact. energy: -0.318 local terms energy: -370.223993 where: bonds (distance) C4'-P energy: -104.794 bonds (distance) P-C4' energy: -124.171 flat angles C4'-P-C4' energy: -98.755 flat angles P-C4'-P energy: -55.324 tors. eta vs tors. theta energy: 12.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2393.327552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.327552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.327552 (E_RNA) where: Base-Base interactions energy: -1637.412 where: short stacking energy: -707.800 Base-Backbone interact. energy: -0.127 local terms energy: -755.788210 where: bonds (distance) C4'-P energy: -151.803 bonds (distance) P-C4' energy: -147.261 flat angles C4'-P-C4' energy: -154.124 flat angles P-C4'-P energy: -107.064 tors. eta vs tors. theta energy: -195.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2188.788368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.788368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.788368 (E_RNA) where: Base-Base interactions energy: -1463.189 where: short stacking energy: -654.120 Base-Backbone interact. energy: -1.599 local terms energy: -724.000425 where: bonds (distance) C4'-P energy: -131.069 bonds (distance) P-C4' energy: -150.225 flat angles C4'-P-C4' energy: -154.600 flat angles P-C4'-P energy: -110.775 tors. eta vs tors. theta energy: -177.331 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: 3, replica: 6 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -2169.167507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.167507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.167507 (E_RNA) where: Base-Base interactions energy: -1464.793 where: short stacking energy: -636.585 Base-Backbone interact. energy: 4.534 local terms energy: -708.908159 where: bonds (distance) C4'-P energy: -139.457 bonds (distance) P-C4' energy: -154.703 flat angles C4'-P-C4' energy: -159.834 flat angles P-C4'-P energy: -98.861 tors. eta vs tors. theta energy: -156.053 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: 7 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1867.161168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.161168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.161168 (E_RNA) where: Base-Base interactions energy: -1215.975 where: short stacking energy: -560.627 Base-Backbone interact. energy: -2.735 local terms energy: -648.451521 where: bonds (distance) C4'-P energy: -131.672 bonds (distance) P-C4' energy: -138.106 flat angles C4'-P-C4' energy: -149.550 flat angles P-C4'-P energy: -86.121 tors. eta vs tors. theta energy: -143.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1863.012225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.012225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.012225 (E_RNA) where: Base-Base interactions energy: -1214.865 where: short stacking energy: -552.696 Base-Backbone interact. energy: -1.489 local terms energy: -646.658112 where: bonds (distance) C4'-P energy: -121.367 bonds (distance) P-C4' energy: -128.651 flat angles C4'-P-C4' energy: -154.068 flat angles P-C4'-P energy: -94.855 tors. eta vs tors. theta energy: -147.717 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: 86 Temperature: 1.150000 Total energy: -1727.010009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.010009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.010009 (E_RNA) where: Base-Base interactions energy: -1133.476 where: short stacking energy: -521.421 Base-Backbone interact. energy: -0.792 local terms energy: -592.741896 where: bonds (distance) C4'-P energy: -133.056 bonds (distance) P-C4' energy: -113.924 flat angles C4'-P-C4' energy: -138.579 flat angles P-C4'-P energy: -86.822 tors. eta vs tors. theta energy: -120.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1338.196761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.196761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.196761 (E_RNA) where: Base-Base interactions energy: -825.898 where: short stacking energy: -396.010 Base-Backbone interact. energy: -1.829 local terms energy: -510.470045 where: bonds (distance) C4'-P energy: -117.599 bonds (distance) P-C4' energy: -127.433 flat angles C4'-P-C4' energy: -127.250 flat angles P-C4'-P energy: -65.483 tors. eta vs tors. theta energy: -72.705 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: 8, replica: 9 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1275.760023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.760023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.760023 (E_RNA) where: Base-Base interactions energy: -794.125 where: short stacking energy: -380.450 Base-Backbone interact. energy: -3.764 local terms energy: -477.871068 where: bonds (distance) C4'-P energy: -110.743 bonds (distance) P-C4' energy: -132.423 flat angles C4'-P-C4' energy: -103.416 flat angles P-C4'-P energy: -66.399 tors. eta vs tors. theta energy: -64.891 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: 5 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -810.199129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.199129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.199129 (E_RNA) where: Base-Base interactions energy: -363.718 where: short stacking energy: -240.799 Base-Backbone interact. energy: 2.619 local terms energy: -449.099874 where: bonds (distance) C4'-P energy: -126.588 bonds (distance) P-C4' energy: -140.110 flat angles C4'-P-C4' energy: -119.302 flat angles P-C4'-P energy: -71.128 tors. eta vs tors. theta energy: 8.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -602.760713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.760713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.760713 (E_RNA) where: Base-Base interactions energy: -234.249 where: short stacking energy: -191.512 Base-Backbone interact. energy: -0.894 local terms energy: -367.617287 where: bonds (distance) C4'-P energy: -82.046 bonds (distance) P-C4' energy: -140.621 flat angles C4'-P-C4' energy: -107.683 flat angles P-C4'-P energy: -69.694 tors. eta vs tors. theta energy: 32.426 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: 4 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2401.833322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.833322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.833322 (E_RNA) where: Base-Base interactions energy: -1629.734 where: short stacking energy: -702.151 Base-Backbone interact. energy: -6.107 local terms energy: -765.992556 where: bonds (distance) C4'-P energy: -156.784 bonds (distance) P-C4' energy: -154.736 flat angles C4'-P-C4' energy: -159.129 flat angles P-C4'-P energy: -103.509 tors. eta vs tors. theta energy: -191.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2249.653960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.653960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.653960 (E_RNA) where: Base-Base interactions energy: -1501.401 where: short stacking energy: -690.818 Base-Backbone interact. energy: -2.536 local terms energy: -745.717248 where: bonds (distance) C4'-P energy: -150.168 bonds (distance) P-C4' energy: -143.555 flat angles C4'-P-C4' energy: -156.202 flat angles P-C4'-P energy: -101.674 tors. eta vs tors. theta energy: -194.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2134.646157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.646157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.646157 (E_RNA) where: Base-Base interactions energy: -1444.855 where: short stacking energy: -624.125 Base-Backbone interact. energy: 3.955 local terms energy: -693.745492 where: bonds (distance) C4'-P energy: -131.628 bonds (distance) P-C4' energy: -152.884 flat angles C4'-P-C4' energy: -160.362 flat angles P-C4'-P energy: -88.169 tors. eta vs tors. theta energy: -160.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -2028.546552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.546552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.546552 (E_RNA) where: Base-Base interactions energy: -1332.527 where: short stacking energy: -613.621 Base-Backbone interact. energy: -0.299 local terms energy: -695.720685 where: bonds (distance) C4'-P energy: -153.354 bonds (distance) P-C4' energy: -138.961 flat angles C4'-P-C4' energy: -144.881 flat angles P-C4'-P energy: -100.579 tors. eta vs tors. theta energy: -157.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1775.239413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.239413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.239413 (E_RNA) where: Base-Base interactions energy: -1169.352 where: short stacking energy: -543.882 Base-Backbone interact. energy: -1.814 local terms energy: -604.072566 where: bonds (distance) C4'-P energy: -145.740 bonds (distance) P-C4' energy: -126.715 flat angles C4'-P-C4' energy: -135.607 flat angles P-C4'-P energy: -83.077 tors. eta vs tors. theta energy: -112.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1747.751241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.751241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.751241 (E_RNA) where: Base-Base interactions energy: -1121.020 where: short stacking energy: -512.768 Base-Backbone interact. energy: -0.249 local terms energy: -627.558654 where: bonds (distance) C4'-P energy: -139.963 bonds (distance) P-C4' energy: -130.889 flat angles C4'-P-C4' energy: -146.332 flat angles P-C4'-P energy: -86.534 tors. eta vs tors. theta energy: -123.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.077 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1386.279222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.279222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.279222 (E_RNA) where: Base-Base interactions energy: -857.368 where: short stacking energy: -394.653 Base-Backbone interact. energy: -3.327 local terms energy: -525.584603 where: bonds (distance) C4'-P energy: -127.419 bonds (distance) P-C4' energy: -124.288 flat angles C4'-P-C4' energy: -127.288 flat angles P-C4'-P energy: -77.683 tors. eta vs tors. theta energy: -68.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1265.521759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.521759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.521759 (E_RNA) where: Base-Base interactions energy: -765.281 where: short stacking energy: -369.776 Base-Backbone interact. energy: -2.319 local terms energy: -497.921745 where: bonds (distance) C4'-P energy: -122.440 bonds (distance) P-C4' energy: -129.439 flat angles C4'-P-C4' energy: -116.201 flat angles P-C4'-P energy: -73.432 tors. eta vs tors. theta energy: -56.410 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: 5 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -743.230990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.230990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.230990 (E_RNA) where: Base-Base interactions energy: -350.751 where: short stacking energy: -207.230 Base-Backbone interact. energy: 1.358 local terms energy: -393.837738 where: bonds (distance) C4'-P energy: -117.783 bonds (distance) P-C4' energy: -144.578 flat angles C4'-P-C4' energy: -110.902 flat angles P-C4'-P energy: -43.720 tors. eta vs tors. theta energy: 23.145 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: 10, replica: 10 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -576.276069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.276069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.276069 (E_RNA) where: Base-Base interactions energy: -189.916 where: short stacking energy: -147.885 Base-Backbone interact. energy: -1.201 local terms energy: -385.159157 where: bonds (distance) C4'-P energy: -120.709 bonds (distance) P-C4' energy: -124.528 flat angles C4'-P-C4' energy: -117.486 flat angles P-C4'-P energy: -45.304 tors. eta vs tors. theta energy: 22.867 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: 4 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2408.901085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.901085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.901085 (E_RNA) where: Base-Base interactions energy: -1662.590 where: short stacking energy: -690.099 Base-Backbone interact. energy: -2.633 local terms energy: -743.678085 where: bonds (distance) C4'-P energy: -130.705 bonds (distance) P-C4' energy: -148.595 flat angles C4'-P-C4' energy: -167.011 flat angles P-C4'-P energy: -113.375 tors. eta vs tors. theta energy: -183.993 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: 3 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2232.455776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.455776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.455776 (E_RNA) where: Base-Base interactions energy: -1451.446 where: short stacking energy: -678.344 Base-Backbone interact. energy: -1.445 local terms energy: -779.565057 where: bonds (distance) C4'-P energy: -149.715 bonds (distance) P-C4' energy: -165.440 flat angles C4'-P-C4' energy: -168.895 flat angles P-C4'-P energy: -108.081 tors. eta vs tors. theta energy: -187.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2116.498306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.498306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.498306 (E_RNA) where: Base-Base interactions energy: -1432.115 where: short stacking energy: -584.455 Base-Backbone interact. energy: -2.390 local terms energy: -681.992853 where: bonds (distance) C4'-P energy: -150.925 bonds (distance) P-C4' energy: -146.356 flat angles C4'-P-C4' energy: -154.869 flat angles P-C4'-P energy: -78.648 tors. eta vs tors. theta energy: -151.195 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: 4, replica: 8 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1960.004348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.004348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.004348 (E_RNA) where: Base-Base interactions energy: -1280.041 where: short stacking energy: -579.071 Base-Backbone interact. energy: -2.373 local terms energy: -677.590894 where: bonds (distance) C4'-P energy: -127.109 bonds (distance) P-C4' energy: -139.430 flat angles C4'-P-C4' energy: -147.596 flat angles P-C4'-P energy: -108.715 tors. eta vs tors. theta energy: -154.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1822.565701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.565701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.565701 (E_RNA) where: Base-Base interactions energy: -1191.973 where: short stacking energy: -547.012 Base-Backbone interact. energy: 5.004 local terms energy: -635.595994 where: bonds (distance) C4'-P energy: -140.079 bonds (distance) P-C4' energy: -137.682 flat angles C4'-P-C4' energy: -137.473 flat angles P-C4'-P energy: -92.850 tors. eta vs tors. theta energy: -127.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1733.476661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.476661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.476661 (E_RNA) where: Base-Base interactions energy: -1123.415 where: short stacking energy: -536.386 Base-Backbone interact. energy: -0.430 local terms energy: -609.631351 where: bonds (distance) C4'-P energy: -137.876 bonds (distance) P-C4' energy: -130.088 flat angles C4'-P-C4' energy: -134.308 flat angles P-C4'-P energy: -94.200 tors. eta vs tors. theta energy: -113.159 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: 7, replica: 1 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1452.336768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.336768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.336768 (E_RNA) where: Base-Base interactions energy: -942.892 where: short stacking energy: -436.935 Base-Backbone interact. energy: 1.901 local terms energy: -511.345074 where: bonds (distance) C4'-P energy: -120.613 bonds (distance) P-C4' energy: -118.436 flat angles C4'-P-C4' energy: -125.609 flat angles P-C4'-P energy: -71.643 tors. eta vs tors. theta energy: -75.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1265.822815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.822815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.822815 (E_RNA) where: Base-Base interactions energy: -749.620 where: short stacking energy: -362.164 Base-Backbone interact. energy: -2.937 local terms energy: -513.265344 where: bonds (distance) C4'-P energy: -115.361 bonds (distance) P-C4' energy: -133.591 flat angles C4'-P-C4' energy: -116.034 flat angles P-C4'-P energy: -92.282 tors. eta vs tors. theta energy: -55.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -733.503454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.503454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.503454 (E_RNA) where: Base-Base interactions energy: -324.763 where: short stacking energy: -224.247 Base-Backbone interact. energy: 7.123 local terms energy: -415.863074 where: bonds (distance) C4'-P energy: -105.354 bonds (distance) P-C4' energy: -127.906 flat angles C4'-P-C4' energy: -104.553 flat angles P-C4'-P energy: -80.337 tors. eta vs tors. theta energy: 2.287 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: 10, replica: 10 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -581.815212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.815212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.815212 (E_RNA) where: Base-Base interactions energy: -194.549 where: short stacking energy: -177.571 Base-Backbone interact. energy: 0.241 local terms energy: -387.507575 where: bonds (distance) C4'-P energy: -133.983 bonds (distance) P-C4' energy: -124.234 flat angles C4'-P-C4' energy: -100.100 flat angles P-C4'-P energy: -57.185 tors. eta vs tors. theta energy: 27.995 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: 4 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2387.307970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.307970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.307970 (E_RNA) where: Base-Base interactions energy: -1629.314 where: short stacking energy: -687.037 Base-Backbone interact. energy: 2.236 local terms energy: -761.892706 where: bonds (distance) C4'-P energy: -150.976 bonds (distance) P-C4' energy: -140.457 flat angles C4'-P-C4' energy: -162.943 flat angles P-C4'-P energy: -109.191 tors. eta vs tors. theta energy: -198.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.664 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2246.552545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.552545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.552545 (E_RNA) where: Base-Base interactions energy: -1512.105 where: short stacking energy: -641.209 Base-Backbone interact. energy: -0.360 local terms energy: -734.087849 where: bonds (distance) C4'-P energy: -149.353 bonds (distance) P-C4' energy: -145.211 flat angles C4'-P-C4' energy: -154.211 flat angles P-C4'-P energy: -112.525 tors. eta vs tors. theta energy: -172.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2167.805960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.805960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.805960 (E_RNA) where: Base-Base interactions energy: -1442.040 where: short stacking energy: -626.413 Base-Backbone interact. energy: 0.781 local terms energy: -726.547486 where: bonds (distance) C4'-P energy: -157.253 bonds (distance) P-C4' energy: -133.102 flat angles C4'-P-C4' energy: -165.931 flat angles P-C4'-P energy: -94.857 tors. eta vs tors. theta energy: -175.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1935.652137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.652137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.652137 (E_RNA) where: Base-Base interactions energy: -1235.181 where: short stacking energy: -577.028 Base-Backbone interact. energy: 1.485 local terms energy: -701.956364 where: bonds (distance) C4'-P energy: -143.621 bonds (distance) P-C4' energy: -151.646 flat angles C4'-P-C4' energy: -149.327 flat angles P-C4'-P energy: -110.229 tors. eta vs tors. theta energy: -147.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1869.189643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.189643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.189643 (E_RNA) where: Base-Base interactions energy: -1191.142 where: short stacking energy: -565.342 Base-Backbone interact. energy: 0.162 local terms energy: -678.209322 where: bonds (distance) C4'-P energy: -132.839 bonds (distance) P-C4' energy: -150.935 flat angles C4'-P-C4' energy: -151.164 flat angles P-C4'-P energy: -96.227 tors. eta vs tors. theta energy: -147.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1668.958074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.958074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.958074 (E_RNA) where: Base-Base interactions energy: -1058.586 where: short stacking energy: -461.683 Base-Backbone interact. energy: -0.813 local terms energy: -609.558754 where: bonds (distance) C4'-P energy: -113.947 bonds (distance) P-C4' energy: -139.787 flat angles C4'-P-C4' energy: -141.195 flat angles P-C4'-P energy: -97.860 tors. eta vs tors. theta energy: -116.769 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: 7, replica: 1 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1404.091248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.091248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.091248 (E_RNA) where: Base-Base interactions energy: -856.088 where: short stacking energy: -379.125 Base-Backbone interact. energy: 0.672 local terms energy: -548.675884 where: bonds (distance) C4'-P energy: -128.366 bonds (distance) P-C4' energy: -138.464 flat angles C4'-P-C4' energy: -127.377 flat angles P-C4'-P energy: -89.842 tors. eta vs tors. theta energy: -64.627 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: 9 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1176.837790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.837790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.837790 (E_RNA) where: Base-Base interactions energy: -717.786 where: short stacking energy: -355.071 Base-Backbone interact. energy: -2.806 local terms energy: -456.245917 where: bonds (distance) C4'-P energy: -110.867 bonds (distance) P-C4' energy: -128.918 flat angles C4'-P-C4' energy: -102.569 flat angles P-C4'-P energy: -59.720 tors. eta vs tors. theta energy: -54.172 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: 5 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -700.920866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.920866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.920866 (E_RNA) where: Base-Base interactions energy: -295.057 where: short stacking energy: -163.147 Base-Backbone interact. energy: 0.930 local terms energy: -406.794418 where: bonds (distance) C4'-P energy: -140.266 bonds (distance) P-C4' energy: -131.440 flat angles C4'-P-C4' energy: -93.251 flat angles P-C4'-P energy: -58.854 tors. eta vs tors. theta energy: 17.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -603.892056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.892056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.892056 (E_RNA) where: Base-Base interactions energy: -238.350 where: short stacking energy: -165.403 Base-Backbone interact. energy: 1.580 local terms energy: -367.122281 where: bonds (distance) C4'-P energy: -117.286 bonds (distance) P-C4' energy: -128.136 flat angles C4'-P-C4' energy: -102.277 flat angles P-C4'-P energy: -52.409 tors. eta vs tors. theta energy: 32.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2398.404880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.404880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.404880 (E_RNA) where: Base-Base interactions energy: -1612.554 where: short stacking energy: -666.605 Base-Backbone interact. energy: -2.117 local terms energy: -783.733371 where: bonds (distance) C4'-P energy: -151.715 bonds (distance) P-C4' energy: -167.490 flat angles C4'-P-C4' energy: -173.260 flat angles P-C4'-P energy: -101.275 tors. eta vs tors. theta energy: -189.993 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: 3 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2312.148420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.148420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.148420 (E_RNA) where: Base-Base interactions energy: -1578.796 where: short stacking energy: -686.464 Base-Backbone interact. energy: -3.111 local terms energy: -730.241368 where: bonds (distance) C4'-P energy: -133.611 bonds (distance) P-C4' energy: -152.772 flat angles C4'-P-C4' energy: -160.124 flat angles P-C4'-P energy: -101.450 tors. eta vs tors. theta energy: -182.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2125.161916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.161916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.161916 (E_RNA) where: Base-Base interactions energy: -1407.934 where: short stacking energy: -606.677 Base-Backbone interact. energy: -2.905 local terms energy: -714.323237 where: bonds (distance) C4'-P energy: -143.107 bonds (distance) P-C4' energy: -156.089 flat angles C4'-P-C4' energy: -163.456 flat angles P-C4'-P energy: -91.120 tors. eta vs tors. theta energy: -160.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1973.395431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.395431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.395431 (E_RNA) where: Base-Base interactions energy: -1285.928 where: short stacking energy: -564.617 Base-Backbone interact. energy: 2.332 local terms energy: -689.799307 where: bonds (distance) C4'-P energy: -143.137 bonds (distance) P-C4' energy: -146.379 flat angles C4'-P-C4' energy: -157.511 flat angles P-C4'-P energy: -103.196 tors. eta vs tors. theta energy: -139.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1843.733282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.733282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.733282 (E_RNA) where: Base-Base interactions energy: -1182.949 where: short stacking energy: -529.536 Base-Backbone interact. energy: -2.919 local terms energy: -657.865867 where: bonds (distance) C4'-P energy: -143.739 bonds (distance) P-C4' energy: -142.022 flat angles C4'-P-C4' energy: -149.341 flat angles P-C4'-P energy: -95.874 tors. eta vs tors. theta energy: -126.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1659.319038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.319038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.319038 (E_RNA) where: Base-Base interactions energy: -1076.461 where: short stacking energy: -482.900 Base-Backbone interact. energy: -4.060 local terms energy: -578.797571 where: bonds (distance) C4'-P energy: -131.182 bonds (distance) P-C4' energy: -133.458 flat angles C4'-P-C4' energy: -123.102 flat angles P-C4'-P energy: -82.899 tors. eta vs tors. theta energy: -108.156 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: 1 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1404.537769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.537769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.537769 (E_RNA) where: Base-Base interactions energy: -871.190 where: short stacking energy: -394.121 Base-Backbone interact. energy: -0.805 local terms energy: -532.542889 where: bonds (distance) C4'-P energy: -119.460 bonds (distance) P-C4' energy: -130.102 flat angles C4'-P-C4' energy: -130.562 flat angles P-C4'-P energy: -79.794 tors. eta vs tors. theta energy: -72.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1189.282509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.282509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.282509 (E_RNA) where: Base-Base interactions energy: -659.538 where: short stacking energy: -339.889 Base-Backbone interact. energy: 2.338 local terms energy: -532.082398 where: bonds (distance) C4'-P energy: -118.724 bonds (distance) P-C4' energy: -138.110 flat angles C4'-P-C4' energy: -145.982 flat angles P-C4'-P energy: -82.372 tors. eta vs tors. theta energy: -46.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -681.105987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.105987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.105987 (E_RNA) where: Base-Base interactions energy: -316.897 where: short stacking energy: -232.553 Base-Backbone interact. energy: 0.712 local terms energy: -364.921096 where: bonds (distance) C4'-P energy: -129.865 bonds (distance) P-C4' energy: -109.495 flat angles C4'-P-C4' energy: -77.097 flat angles P-C4'-P energy: -42.927 tors. eta vs tors. theta energy: -5.537 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: 5 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -667.030703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.030703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.030703 (E_RNA) where: Base-Base interactions energy: -297.795 where: short stacking energy: -190.862 Base-Backbone interact. energy: 1.286 local terms energy: -370.521389 where: bonds (distance) C4'-P energy: -130.255 bonds (distance) P-C4' energy: -119.121 flat angles C4'-P-C4' energy: -97.184 flat angles P-C4'-P energy: -40.087 tors. eta vs tors. theta energy: 16.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2412.506753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.506753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.506753 (E_RNA) where: Base-Base interactions energy: -1644.440 where: short stacking energy: -692.316 Base-Backbone interact. energy: 0.132 local terms energy: -768.199026 where: bonds (distance) C4'-P energy: -153.612 bonds (distance) P-C4' energy: -144.073 flat angles C4'-P-C4' energy: -165.316 flat angles P-C4'-P energy: -116.009 tors. eta vs tors. theta energy: -189.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2265.797071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.797071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.797071 (E_RNA) where: Base-Base interactions energy: -1579.329 where: short stacking energy: -682.735 Base-Backbone interact. energy: -1.344 local terms energy: -685.124049 where: bonds (distance) C4'-P energy: -137.239 bonds (distance) P-C4' energy: -132.629 flat angles C4'-P-C4' energy: -148.741 flat angles P-C4'-P energy: -85.333 tors. eta vs tors. theta energy: -181.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2155.054006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.054006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.054006 (E_RNA) where: Base-Base interactions energy: -1435.379 where: short stacking energy: -624.775 Base-Backbone interact. energy: 1.051 local terms energy: -720.726180 where: bonds (distance) C4'-P energy: -141.212 bonds (distance) P-C4' energy: -155.121 flat angles C4'-P-C4' energy: -157.486 flat angles P-C4'-P energy: -104.211 tors. eta vs tors. theta energy: -162.696 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: 4, replica: 8 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1986.184238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.184238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.184238 (E_RNA) where: Base-Base interactions energy: -1309.111 where: short stacking energy: -595.139 Base-Backbone interact. energy: -2.069 local terms energy: -675.004110 where: bonds (distance) C4'-P energy: -131.875 bonds (distance) P-C4' energy: -136.583 flat angles C4'-P-C4' energy: -149.297 flat angles P-C4'-P energy: -98.840 tors. eta vs tors. theta energy: -158.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1852.276516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.276516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.276516 (E_RNA) where: Base-Base interactions energy: -1236.514 where: short stacking energy: -561.249 Base-Backbone interact. energy: 0.901 local terms energy: -616.662834 where: bonds (distance) C4'-P energy: -120.706 bonds (distance) P-C4' energy: -136.055 flat angles C4'-P-C4' energy: -132.981 flat angles P-C4'-P energy: -86.825 tors. eta vs tors. theta energy: -140.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1575.114861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.114861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.114861 (E_RNA) where: Base-Base interactions energy: -1001.064 where: short stacking energy: -446.313 Base-Backbone interact. energy: -0.624 local terms energy: -573.426434 where: bonds (distance) C4'-P energy: -114.373 bonds (distance) P-C4' energy: -146.037 flat angles C4'-P-C4' energy: -133.397 flat angles P-C4'-P energy: -80.268 tors. eta vs tors. theta energy: -99.351 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: 7, replica: 1 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1454.758293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.758293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.758293 (E_RNA) where: Base-Base interactions energy: -899.125 where: short stacking energy: -398.627 Base-Backbone interact. energy: 0.237 local terms energy: -555.870972 where: bonds (distance) C4'-P energy: -141.929 bonds (distance) P-C4' energy: -129.279 flat angles C4'-P-C4' energy: -123.415 flat angles P-C4'-P energy: -94.892 tors. eta vs tors. theta energy: -66.356 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: 9 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1141.899188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.899188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.899188 (E_RNA) where: Base-Base interactions energy: -652.597 where: short stacking energy: -317.408 Base-Backbone interact. energy: -1.992 local terms energy: -488.882942 where: bonds (distance) C4'-P energy: -112.747 bonds (distance) P-C4' energy: -142.809 flat angles C4'-P-C4' energy: -108.175 flat angles P-C4'-P energy: -69.618 tors. eta vs tors. theta energy: -55.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.573 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -711.985015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.985015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.985015 (E_RNA) where: Base-Base interactions energy: -305.265 where: short stacking energy: -222.740 Base-Backbone interact. energy: 1.191 local terms energy: -411.106542 where: bonds (distance) C4'-P energy: -110.611 bonds (distance) P-C4' energy: -128.530 flat angles C4'-P-C4' energy: -108.981 flat angles P-C4'-P energy: -59.581 tors. eta vs tors. theta energy: -3.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 3.195 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -676.201580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.201580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.201580 (E_RNA) where: Base-Base interactions energy: -309.189 where: short stacking energy: -190.812 Base-Backbone interact. energy: -2.166 local terms energy: -364.847114 where: bonds (distance) C4'-P energy: -113.008 bonds (distance) P-C4' energy: -117.840 flat angles C4'-P-C4' energy: -87.028 flat angles P-C4'-P energy: -52.653 tors. eta vs tors. theta energy: 5.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2409.038936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.038936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.038936 (E_RNA) where: Base-Base interactions energy: -1649.002 where: short stacking energy: -682.128 Base-Backbone interact. energy: -2.995 local terms energy: -757.041735 where: bonds (distance) C4'-P energy: -146.630 bonds (distance) P-C4' energy: -159.506 flat angles C4'-P-C4' energy: -152.161 flat angles P-C4'-P energy: -106.700 tors. eta vs tors. theta energy: -192.045 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: 3 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2241.544470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.544470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.544470 (E_RNA) where: Base-Base interactions energy: -1495.053 where: short stacking energy: -650.714 Base-Backbone interact. energy: 1.638 local terms energy: -748.129476 where: bonds (distance) C4'-P energy: -144.368 bonds (distance) P-C4' energy: -160.280 flat angles C4'-P-C4' energy: -164.973 flat angles P-C4'-P energy: -103.843 tors. eta vs tors. theta energy: -174.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2163.731248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.731248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.731248 (E_RNA) where: Base-Base interactions energy: -1450.480 where: short stacking energy: -618.591 Base-Backbone interact. energy: -0.405 local terms energy: -712.846241 where: bonds (distance) C4'-P energy: -151.207 bonds (distance) P-C4' energy: -139.812 flat angles C4'-P-C4' energy: -158.426 flat angles P-C4'-P energy: -102.816 tors. eta vs tors. theta energy: -160.585 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: 4, replica: 8 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1987.645731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.645731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.645731 (E_RNA) where: Base-Base interactions energy: -1320.698 where: short stacking energy: -597.762 Base-Backbone interact. energy: 1.760 local terms energy: -668.707460 where: bonds (distance) C4'-P energy: -109.439 bonds (distance) P-C4' energy: -148.508 flat angles C4'-P-C4' energy: -151.689 flat angles P-C4'-P energy: -102.817 tors. eta vs tors. theta energy: -156.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1890.697485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.697485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.697485 (E_RNA) where: Base-Base interactions energy: -1284.846 where: short stacking energy: -568.311 Base-Backbone interact. energy: -0.087 local terms energy: -605.764064 where: bonds (distance) C4'-P energy: -114.002 bonds (distance) P-C4' energy: -133.962 flat angles C4'-P-C4' energy: -133.977 flat angles P-C4'-P energy: -88.432 tors. eta vs tors. theta energy: -135.392 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: 7 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1623.271398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.271398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.271398 (E_RNA) where: Base-Base interactions energy: -1016.660 where: short stacking energy: -472.664 Base-Backbone interact. energy: -1.231 local terms energy: -605.380254 where: bonds (distance) C4'-P energy: -127.745 bonds (distance) P-C4' energy: -138.338 flat angles C4'-P-C4' energy: -161.844 flat angles P-C4'-P energy: -81.231 tors. eta vs tors. theta energy: -96.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1440.013426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.013426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.013426 (E_RNA) where: Base-Base interactions energy: -899.955 where: short stacking energy: -411.646 Base-Backbone interact. energy: -1.425 local terms energy: -538.633196 where: bonds (distance) C4'-P energy: -119.579 bonds (distance) P-C4' energy: -118.140 flat angles C4'-P-C4' energy: -134.079 flat angles P-C4'-P energy: -78.880 tors. eta vs tors. theta energy: -87.955 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: 9 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1207.450265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.450265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.450265 (E_RNA) where: Base-Base interactions energy: -723.995 where: short stacking energy: -331.585 Base-Backbone interact. energy: -0.262 local terms energy: -483.193417 where: bonds (distance) C4'-P energy: -132.442 bonds (distance) P-C4' energy: -115.871 flat angles C4'-P-C4' energy: -111.591 flat angles P-C4'-P energy: -63.405 tors. eta vs tors. theta energy: -59.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -839.888826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.888826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.888826 (E_RNA) where: Base-Base interactions energy: -400.787 where: short stacking energy: -231.061 Base-Backbone interact. energy: -0.487 local terms energy: -438.614140 where: bonds (distance) C4'-P energy: -110.121 bonds (distance) P-C4' energy: -128.187 flat angles C4'-P-C4' energy: -119.107 flat angles P-C4'-P energy: -81.038 tors. eta vs tors. theta energy: -0.162 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: 10, replica: 10 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -619.304860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.304860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.304860 (E_RNA) where: Base-Base interactions energy: -239.617 where: short stacking energy: -156.172 Base-Backbone interact. energy: 0.264 local terms energy: -379.952161 where: bonds (distance) C4'-P energy: -116.210 bonds (distance) P-C4' energy: -125.691 flat angles C4'-P-C4' energy: -112.086 flat angles P-C4'-P energy: -62.148 tors. eta vs tors. theta energy: 36.183 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: 4 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2456.418643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.418643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.418643 (E_RNA) where: Base-Base interactions energy: -1706.268 where: short stacking energy: -704.677 Base-Backbone interact. energy: -0.860 local terms energy: -749.290483 where: bonds (distance) C4'-P energy: -142.806 bonds (distance) P-C4' energy: -161.695 flat angles C4'-P-C4' energy: -154.843 flat angles P-C4'-P energy: -104.877 tors. eta vs tors. theta energy: -185.069 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: 3 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2273.220206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.220206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.220206 (E_RNA) where: Base-Base interactions energy: -1527.899 where: short stacking energy: -651.640 Base-Backbone interact. energy: -0.276 local terms energy: -745.300270 where: bonds (distance) C4'-P energy: -147.823 bonds (distance) P-C4' energy: -134.464 flat angles C4'-P-C4' energy: -158.351 flat angles P-C4'-P energy: -118.173 tors. eta vs tors. theta energy: -186.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.255 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2159.441961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.441961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.441961 (E_RNA) where: Base-Base interactions energy: -1431.299 where: short stacking energy: -626.853 Base-Backbone interact. energy: -0.042 local terms energy: -728.100378 where: bonds (distance) C4'-P energy: -131.388 bonds (distance) P-C4' energy: -159.073 flat angles C4'-P-C4' energy: -167.767 flat angles P-C4'-P energy: -100.714 tors. eta vs tors. theta energy: -169.158 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: 8 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2023.119448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.119448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.119448 (E_RNA) where: Base-Base interactions energy: -1349.729 where: short stacking energy: -597.868 Base-Backbone interact. energy: -0.347 local terms energy: -673.042572 where: bonds (distance) C4'-P energy: -149.909 bonds (distance) P-C4' energy: -123.099 flat angles C4'-P-C4' energy: -142.797 flat angles P-C4'-P energy: -98.241 tors. eta vs tors. theta energy: -158.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1930.644888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.644888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.644888 (E_RNA) where: Base-Base interactions energy: -1277.106 where: short stacking energy: -569.473 Base-Backbone interact. energy: 2.708 local terms energy: -656.246820 where: bonds (distance) C4'-P energy: -144.331 bonds (distance) P-C4' energy: -142.542 flat angles C4'-P-C4' energy: -141.550 flat angles P-C4'-P energy: -91.466 tors. eta vs tors. theta energy: -136.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1583.533631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.533631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.533631 (E_RNA) where: Base-Base interactions energy: -994.381 where: short stacking energy: -467.292 Base-Backbone interact. energy: -0.689 local terms energy: -588.463365 where: bonds (distance) C4'-P energy: -121.473 bonds (distance) P-C4' energy: -133.249 flat angles C4'-P-C4' energy: -146.507 flat angles P-C4'-P energy: -84.526 tors. eta vs tors. theta energy: -102.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1501.535552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.535552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.535552 (E_RNA) where: Base-Base interactions energy: -949.247 where: short stacking energy: -425.410 Base-Backbone interact. energy: -0.266 local terms energy: -552.022518 where: bonds (distance) C4'-P energy: -116.454 bonds (distance) P-C4' energy: -135.668 flat angles C4'-P-C4' energy: -122.879 flat angles P-C4'-P energy: -89.964 tors. eta vs tors. theta energy: -87.058 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: 9 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1170.898610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.898610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.898610 (E_RNA) where: Base-Base interactions energy: -683.748 where: short stacking energy: -343.850 Base-Backbone interact. energy: -1.941 local terms energy: -485.210247 where: bonds (distance) C4'-P energy: -117.837 bonds (distance) P-C4' energy: -112.587 flat angles C4'-P-C4' energy: -130.083 flat angles P-C4'-P energy: -82.492 tors. eta vs tors. theta energy: -42.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -883.145497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.145497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.145497 (E_RNA) where: Base-Base interactions energy: -448.188 where: short stacking energy: -234.156 Base-Backbone interact. energy: 2.878 local terms energy: -437.834679 where: bonds (distance) C4'-P energy: -141.906 bonds (distance) P-C4' energy: -119.227 flat angles C4'-P-C4' energy: -117.563 flat angles P-C4'-P energy: -54.875 tors. eta vs tors. theta energy: -4.265 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: 93 Temperature: 1.350000 Total energy: -605.106064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.106064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.106064 (E_RNA) where: Base-Base interactions energy: -225.681 where: short stacking energy: -158.470 Base-Backbone interact. energy: 6.736 local terms energy: -386.160941 where: bonds (distance) C4'-P energy: -127.995 bonds (distance) P-C4' energy: -130.732 flat angles C4'-P-C4' energy: -88.220 flat angles P-C4'-P energy: -74.340 tors. eta vs tors. theta energy: 35.126 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: 4 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2404.762212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.762212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.762212 (E_RNA) where: Base-Base interactions energy: -1651.106 where: short stacking energy: -683.258 Base-Backbone interact. energy: 0.611 local terms energy: -754.267215 where: bonds (distance) C4'-P energy: -140.563 bonds (distance) P-C4' energy: -155.854 flat angles C4'-P-C4' energy: -165.146 flat angles P-C4'-P energy: -107.117 tors. eta vs tors. theta energy: -185.586 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: 2, replica: 3 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2301.584196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.584196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.584196 (E_RNA) where: Base-Base interactions energy: -1541.484 where: short stacking energy: -675.175 Base-Backbone interact. energy: -3.021 local terms energy: -757.078722 where: bonds (distance) C4'-P energy: -153.632 bonds (distance) P-C4' energy: -161.481 flat angles C4'-P-C4' energy: -161.407 flat angles P-C4'-P energy: -91.232 tors. eta vs tors. theta energy: -189.326 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: 6 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2192.495454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.495454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.495454 (E_RNA) where: Base-Base interactions energy: -1472.165 where: short stacking energy: -652.386 Base-Backbone interact. energy: -0.652 local terms energy: -719.678301 where: bonds (distance) C4'-P energy: -137.921 bonds (distance) P-C4' energy: -154.658 flat angles C4'-P-C4' energy: -162.692 flat angles P-C4'-P energy: -100.522 tors. eta vs tors. theta energy: -163.886 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: 8 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2002.352046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.352046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.352046 (E_RNA) where: Base-Base interactions energy: -1317.571 where: short stacking energy: -609.774 Base-Backbone interact. energy: -2.079 local terms energy: -682.702473 where: bonds (distance) C4'-P energy: -143.978 bonds (distance) P-C4' energy: -135.339 flat angles C4'-P-C4' energy: -154.654 flat angles P-C4'-P energy: -88.256 tors. eta vs tors. theta energy: -160.475 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: 2 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1909.082519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.082519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.082519 (E_RNA) where: Base-Base interactions energy: -1287.946 where: short stacking energy: -500.403 Base-Backbone interact. energy: -1.037 local terms energy: -620.100036 where: bonds (distance) C4'-P energy: -114.081 bonds (distance) P-C4' energy: -144.984 flat angles C4'-P-C4' energy: -150.572 flat angles P-C4'-P energy: -82.736 tors. eta vs tors. theta energy: -127.727 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: 7 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1541.849760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.849760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.849760 (E_RNA) where: Base-Base interactions energy: -956.578 where: short stacking energy: -459.537 Base-Backbone interact. energy: 1.183 local terms energy: -586.454473 where: bonds (distance) C4'-P energy: -125.266 bonds (distance) P-C4' energy: -137.807 flat angles C4'-P-C4' energy: -148.239 flat angles P-C4'-P energy: -86.698 tors. eta vs tors. theta energy: -88.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1530.659044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.659044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.659044 (E_RNA) where: Base-Base interactions energy: -969.312 where: short stacking energy: -424.859 Base-Backbone interact. energy: 0.886 local terms energy: -562.232707 where: bonds (distance) C4'-P energy: -128.295 bonds (distance) P-C4' energy: -130.297 flat angles C4'-P-C4' energy: -128.619 flat angles P-C4'-P energy: -98.647 tors. eta vs tors. theta energy: -76.375 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: 8, replica: 9 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1228.573407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.573407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.573407 (E_RNA) where: Base-Base interactions energy: -743.068 where: short stacking energy: -382.765 Base-Backbone interact. energy: 0.392 local terms energy: -485.897246 where: bonds (distance) C4'-P energy: -113.642 bonds (distance) P-C4' energy: -115.042 flat angles C4'-P-C4' energy: -123.532 flat angles P-C4'-P energy: -74.732 tors. eta vs tors. theta energy: -58.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -857.185364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.185364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.185364 (E_RNA) where: Base-Base interactions energy: -463.376 where: short stacking energy: -265.883 Base-Backbone interact. energy: 7.954 local terms energy: -401.763665 where: bonds (distance) C4'-P energy: -108.696 bonds (distance) P-C4' energy: -145.003 flat angles C4'-P-C4' energy: -81.832 flat angles P-C4'-P energy: -50.321 tors. eta vs tors. theta energy: -15.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -609.769239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.769239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.769239 (E_RNA) where: Base-Base interactions energy: -237.043 where: short stacking energy: -186.977 Base-Backbone interact. energy: 3.553 local terms energy: -376.279328 where: bonds (distance) C4'-P energy: -126.178 bonds (distance) P-C4' energy: -137.301 flat angles C4'-P-C4' energy: -84.773 flat angles P-C4'-P energy: -53.393 tors. eta vs tors. theta energy: 25.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2368.360902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.360902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.360902 (E_RNA) where: Base-Base interactions energy: -1619.027 where: short stacking energy: -702.083 Base-Backbone interact. energy: -2.980 local terms energy: -746.354160 where: bonds (distance) C4'-P energy: -145.592 bonds (distance) P-C4' energy: -155.472 flat angles C4'-P-C4' energy: -157.405 flat angles P-C4'-P energy: -97.667 tors. eta vs tors. theta energy: -190.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2231.051866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.051866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.051866 (E_RNA) where: Base-Base interactions energy: -1542.247 where: short stacking energy: -655.555 Base-Backbone interact. energy: -2.511 local terms energy: -686.293134 where: bonds (distance) C4'-P energy: -122.569 bonds (distance) P-C4' energy: -147.024 flat angles C4'-P-C4' energy: -159.350 flat angles P-C4'-P energy: -97.699 tors. eta vs tors. theta energy: -159.652 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: 3 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2230.716974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.716974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.716974 (E_RNA) where: Base-Base interactions energy: -1522.200 where: short stacking energy: -640.666 Base-Backbone interact. energy: 0.145 local terms energy: -708.662325 where: bonds (distance) C4'-P energy: -140.714 bonds (distance) P-C4' energy: -141.133 flat angles C4'-P-C4' energy: -151.669 flat angles P-C4'-P energy: -102.816 tors. eta vs tors. theta energy: -172.330 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: 4, replica: 2 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2018.740573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.740573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.740573 (E_RNA) where: Base-Base interactions energy: -1326.110 where: short stacking energy: -574.046 Base-Backbone interact. energy: -2.319 local terms energy: -690.311908 where: bonds (distance) C4'-P energy: -145.876 bonds (distance) P-C4' energy: -142.767 flat angles C4'-P-C4' energy: -155.483 flat angles P-C4'-P energy: -95.862 tors. eta vs tors. theta energy: -150.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1934.971263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.971263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.971263 (E_RNA) where: Base-Base interactions energy: -1261.589 where: short stacking energy: -583.109 Base-Backbone interact. energy: -2.883 local terms energy: -670.499109 where: bonds (distance) C4'-P energy: -130.237 bonds (distance) P-C4' energy: -147.186 flat angles C4'-P-C4' energy: -147.884 flat angles P-C4'-P energy: -93.812 tors. eta vs tors. theta energy: -151.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1571.417485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.417485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.417485 (E_RNA) where: Base-Base interactions energy: -1001.597 where: short stacking energy: -438.475 Base-Backbone interact. energy: -2.046 local terms energy: -567.775385 where: bonds (distance) C4'-P energy: -99.345 bonds (distance) P-C4' energy: -141.416 flat angles C4'-P-C4' energy: -147.648 flat angles P-C4'-P energy: -93.448 tors. eta vs tors. theta energy: -85.918 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: 7, replica: 1 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1532.063809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.063809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.063809 (E_RNA) where: Base-Base interactions energy: -995.224 where: short stacking energy: -439.052 Base-Backbone interact. energy: -2.068 local terms energy: -534.772139 where: bonds (distance) C4'-P energy: -130.256 bonds (distance) P-C4' energy: -123.217 flat angles C4'-P-C4' energy: -135.308 flat angles P-C4'-P energy: -69.361 tors. eta vs tors. theta energy: -76.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1316.425320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.425320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.425320 (E_RNA) where: Base-Base interactions energy: -796.321 where: short stacking energy: -386.163 Base-Backbone interact. energy: 2.981 local terms energy: -523.085979 where: bonds (distance) C4'-P energy: -108.380 bonds (distance) P-C4' energy: -144.178 flat angles C4'-P-C4' energy: -131.793 flat angles P-C4'-P energy: -68.291 tors. eta vs tors. theta energy: -70.445 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: 9, replica: 5 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -890.368775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.368775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.368775 (E_RNA) where: Base-Base interactions energy: -468.391 where: short stacking energy: -242.129 Base-Backbone interact. energy: 5.871 local terms energy: -427.848970 where: bonds (distance) C4'-P energy: -97.830 bonds (distance) P-C4' energy: -128.719 flat angles C4'-P-C4' energy: -116.040 flat angles P-C4'-P energy: -85.521 tors. eta vs tors. theta energy: 0.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -645.866450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.866450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.866450 (E_RNA) where: Base-Base interactions energy: -280.438 where: short stacking energy: -189.226 Base-Backbone interact. energy: 6.032 local terms energy: -371.461011 where: bonds (distance) C4'-P energy: -109.482 bonds (distance) P-C4' energy: -104.751 flat angles C4'-P-C4' energy: -124.103 flat angles P-C4'-P energy: -58.350 tors. eta vs tors. theta energy: 25.225 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: 4 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2410.167206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.167206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.167206 (E_RNA) where: Base-Base interactions energy: -1661.762 where: short stacking energy: -680.039 Base-Backbone interact. energy: -2.262 local terms energy: -746.142819 where: bonds (distance) C4'-P energy: -149.415 bonds (distance) P-C4' energy: -141.148 flat angles C4'-P-C4' energy: -157.793 flat angles P-C4'-P energy: -105.849 tors. eta vs tors. theta energy: -191.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2261.498650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.498650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.498650 (E_RNA) where: Base-Base interactions energy: -1532.366 where: short stacking energy: -658.871 Base-Backbone interact. energy: -3.088 local terms energy: -726.044764 where: bonds (distance) C4'-P energy: -127.490 bonds (distance) P-C4' energy: -140.292 flat angles C4'-P-C4' energy: -164.766 flat angles P-C4'-P energy: -111.036 tors. eta vs tors. theta energy: -182.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2146.576710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.576710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.576710 (E_RNA) where: Base-Base interactions energy: -1453.431 where: short stacking energy: -633.872 Base-Backbone interact. energy: -2.240 local terms energy: -690.905986 where: bonds (distance) C4'-P energy: -130.691 bonds (distance) P-C4' energy: -139.373 flat angles C4'-P-C4' energy: -152.100 flat angles P-C4'-P energy: -101.675 tors. eta vs tors. theta energy: -167.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2004.699330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.699330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.699330 (E_RNA) where: Base-Base interactions energy: -1349.866 where: short stacking energy: -560.559 Base-Backbone interact. energy: 1.927 local terms energy: -656.759571 where: bonds (distance) C4'-P energy: -130.039 bonds (distance) P-C4' energy: -132.437 flat angles C4'-P-C4' energy: -147.618 flat angles P-C4'-P energy: -98.072 tors. eta vs tors. theta energy: -148.593 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: 5, replica: 8 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1912.376834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.376834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.376834 (E_RNA) where: Base-Base interactions energy: -1263.617 where: short stacking energy: -587.190 Base-Backbone interact. energy: 0.599 local terms energy: -649.359543 where: bonds (distance) C4'-P energy: -125.304 bonds (distance) P-C4' energy: -136.761 flat angles C4'-P-C4' energy: -142.434 flat angles P-C4'-P energy: -95.483 tors. eta vs tors. theta energy: -149.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1542.470887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.470887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.470887 (E_RNA) where: Base-Base interactions energy: -951.277 where: short stacking energy: -453.831 Base-Backbone interact. energy: -0.821 local terms energy: -590.372356 where: bonds (distance) C4'-P energy: -111.300 bonds (distance) P-C4' energy: -146.512 flat angles C4'-P-C4' energy: -143.613 flat angles P-C4'-P energy: -82.991 tors. eta vs tors. theta energy: -105.956 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: 1 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1523.933695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.933695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.933695 (E_RNA) where: Base-Base interactions energy: -1005.449 where: short stacking energy: -437.942 Base-Backbone interact. energy: 0.361 local terms energy: -518.845132 where: bonds (distance) C4'-P energy: -114.925 bonds (distance) P-C4' energy: -126.790 flat angles C4'-P-C4' energy: -125.873 flat angles P-C4'-P energy: -68.382 tors. eta vs tors. theta energy: -82.875 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: 9 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1270.599664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.599664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.599664 (E_RNA) where: Base-Base interactions energy: -741.748 where: short stacking energy: -379.156 Base-Backbone interact. energy: 0.858 local terms energy: -529.948721 where: bonds (distance) C4'-P energy: -118.584 bonds (distance) P-C4' energy: -123.993 flat angles C4'-P-C4' energy: -127.385 flat angles P-C4'-P energy: -75.513 tors. eta vs tors. theta energy: -84.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.239 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -952.179751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.179751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.179751 (E_RNA) where: Base-Base interactions energy: -498.045 where: short stacking energy: -297.046 Base-Backbone interact. energy: -2.703 local terms energy: -451.432003 where: bonds (distance) C4'-P energy: -127.762 bonds (distance) P-C4' energy: -108.790 flat angles C4'-P-C4' energy: -114.899 flat angles P-C4'-P energy: -58.204 tors. eta vs tors. theta energy: -41.777 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: 10, replica: 10 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -634.544612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.544612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.544612 (E_RNA) where: Base-Base interactions energy: -230.087 where: short stacking energy: -140.469 Base-Backbone interact. energy: 0.945 local terms energy: -405.799497 where: bonds (distance) C4'-P energy: -133.568 bonds (distance) P-C4' energy: -120.084 flat angles C4'-P-C4' energy: -97.349 flat angles P-C4'-P energy: -76.201 tors. eta vs tors. theta energy: 21.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.397 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2395.233779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.233779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.233779 (E_RNA) where: Base-Base interactions energy: -1631.830 where: short stacking energy: -674.057 Base-Backbone interact. energy: 0.739 local terms energy: -764.142684 where: bonds (distance) C4'-P energy: -141.484 bonds (distance) P-C4' energy: -151.057 flat angles C4'-P-C4' energy: -165.056 flat angles P-C4'-P energy: -124.838 tors. eta vs tors. theta energy: -181.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2250.130777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.130777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.130777 (E_RNA) where: Base-Base interactions energy: -1536.642 where: short stacking energy: -666.243 Base-Backbone interact. energy: 1.153 local terms energy: -714.641721 where: bonds (distance) C4'-P energy: -133.147 bonds (distance) P-C4' energy: -128.404 flat angles C4'-P-C4' energy: -163.501 flat angles P-C4'-P energy: -109.843 tors. eta vs tors. theta energy: -179.747 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: 3, replica: 3 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2191.550012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.550012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.550012 (E_RNA) where: Base-Base interactions energy: -1508.697 where: short stacking energy: -660.479 Base-Backbone interact. energy: -0.680 local terms energy: -682.172471 where: bonds (distance) C4'-P energy: -123.166 bonds (distance) P-C4' energy: -135.365 flat angles C4'-P-C4' energy: -150.702 flat angles P-C4'-P energy: -99.501 tors. eta vs tors. theta energy: -173.439 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: 2 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2072.180670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.180670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.180670 (E_RNA) where: Base-Base interactions energy: -1361.019 where: short stacking energy: -597.999 Base-Backbone interact. energy: -4.193 local terms energy: -706.968159 where: bonds (distance) C4'-P energy: -137.966 bonds (distance) P-C4' energy: -151.798 flat angles C4'-P-C4' energy: -147.835 flat angles P-C4'-P energy: -106.738 tors. eta vs tors. theta energy: -162.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1914.852397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.852397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.852397 (E_RNA) where: Base-Base interactions energy: -1243.565 where: short stacking energy: -557.207 Base-Backbone interact. energy: -4.184 local terms energy: -667.103478 where: bonds (distance) C4'-P energy: -126.254 bonds (distance) P-C4' energy: -150.007 flat angles C4'-P-C4' energy: -156.921 flat angles P-C4'-P energy: -102.681 tors. eta vs tors. theta energy: -131.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1596.984315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.984315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.984315 (E_RNA) where: Base-Base interactions energy: -996.430 where: short stacking energy: -449.880 Base-Backbone interact. energy: -2.542 local terms energy: -598.012417 where: bonds (distance) C4'-P energy: -124.146 bonds (distance) P-C4' energy: -149.431 flat angles C4'-P-C4' energy: -138.151 flat angles P-C4'-P energy: -86.404 tors. eta vs tors. theta energy: -99.880 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: 1 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1542.650165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.650165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.650165 (E_RNA) where: Base-Base interactions energy: -1002.157 where: short stacking energy: -428.074 Base-Backbone interact. energy: -0.068 local terms energy: -540.425480 where: bonds (distance) C4'-P energy: -114.926 bonds (distance) P-C4' energy: -130.247 flat angles C4'-P-C4' energy: -136.871 flat angles P-C4'-P energy: -75.691 tors. eta vs tors. theta energy: -82.690 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: 9 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1163.793663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.793663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.793663 (E_RNA) where: Base-Base interactions energy: -691.932 where: short stacking energy: -326.337 Base-Backbone interact. energy: 0.562 local terms energy: -472.424011 where: bonds (distance) C4'-P energy: -107.330 bonds (distance) P-C4' energy: -132.011 flat angles C4'-P-C4' energy: -125.931 flat angles P-C4'-P energy: -51.560 tors. eta vs tors. theta energy: -55.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -937.979825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.979825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.979825 (E_RNA) where: Base-Base interactions energy: -481.476 where: short stacking energy: -277.676 Base-Backbone interact. energy: 3.269 local terms energy: -459.772484 where: bonds (distance) C4'-P energy: -112.136 bonds (distance) P-C4' energy: -126.985 flat angles C4'-P-C4' energy: -121.166 flat angles P-C4'-P energy: -71.902 tors. eta vs tors. theta energy: -27.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -644.616194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.616194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.616194 (E_RNA) where: Base-Base interactions energy: -231.170 where: short stacking energy: -176.726 Base-Backbone interact. energy: 0.802 local terms energy: -414.248604 where: bonds (distance) C4'-P energy: -109.969 bonds (distance) P-C4' energy: -137.608 flat angles C4'-P-C4' energy: -101.843 flat angles P-C4'-P energy: -70.909 tors. eta vs tors. theta energy: 6.081 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: 1, replica: 4 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2365.275844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.275844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.275844 (E_RNA) where: Base-Base interactions energy: -1594.480 where: short stacking energy: -626.118 Base-Backbone interact. energy: -3.391 local terms energy: -767.936782 where: bonds (distance) C4'-P energy: -161.867 bonds (distance) P-C4' energy: -157.948 flat angles C4'-P-C4' energy: -164.482 flat angles P-C4'-P energy: -106.766 tors. eta vs tors. theta energy: -176.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.532 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2264.422270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.422270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.422270 (E_RNA) where: Base-Base interactions energy: -1520.323 where: short stacking energy: -670.015 Base-Backbone interact. energy: 0.194 local terms energy: -744.293309 where: bonds (distance) C4'-P energy: -150.594 bonds (distance) P-C4' energy: -154.801 flat angles C4'-P-C4' energy: -159.577 flat angles P-C4'-P energy: -102.305 tors. eta vs tors. theta energy: -177.016 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: 3 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2134.872138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.872138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.872138 (E_RNA) where: Base-Base interactions energy: -1452.948 where: short stacking energy: -642.707 Base-Backbone interact. energy: -0.501 local terms energy: -681.423582 where: bonds (distance) C4'-P energy: -140.179 bonds (distance) P-C4' energy: -139.027 flat angles C4'-P-C4' energy: -130.640 flat angles P-C4'-P energy: -102.678 tors. eta vs tors. theta energy: -168.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2054.261746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.261746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.261746 (E_RNA) where: Base-Base interactions energy: -1371.432 where: short stacking energy: -616.349 Base-Backbone interact. energy: 0.417 local terms energy: -683.246752 where: bonds (distance) C4'-P energy: -127.748 bonds (distance) P-C4' energy: -151.195 flat angles C4'-P-C4' energy: -157.577 flat angles P-C4'-P energy: -91.469 tors. eta vs tors. theta energy: -155.257 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: 5, replica: 8 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1863.482687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.482687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.482687 (E_RNA) where: Base-Base interactions energy: -1223.814 where: short stacking energy: -562.984 Base-Backbone interact. energy: -0.189 local terms energy: -639.479863 where: bonds (distance) C4'-P energy: -129.405 bonds (distance) P-C4' energy: -139.956 flat angles C4'-P-C4' energy: -136.859 flat angles P-C4'-P energy: -86.173 tors. eta vs tors. theta energy: -147.087 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: 6, replica: 7 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1659.235666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.235666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.235666 (E_RNA) where: Base-Base interactions energy: -1074.504 where: short stacking energy: -491.004 Base-Backbone interact. energy: 0.859 local terms energy: -585.590312 where: bonds (distance) C4'-P energy: -130.523 bonds (distance) P-C4' energy: -127.276 flat angles C4'-P-C4' energy: -141.656 flat angles P-C4'-P energy: -80.471 tors. eta vs tors. theta energy: -105.664 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: 98 Temperature: 1.200000 Total energy: -1614.658318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.658318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.658318 (E_RNA) where: Base-Base interactions energy: -1052.603 where: short stacking energy: -473.848 Base-Backbone interact. energy: -5.482 local terms energy: -556.573645 where: bonds (distance) C4'-P energy: -135.354 bonds (distance) P-C4' energy: -120.411 flat angles C4'-P-C4' energy: -131.733 flat angles P-C4'-P energy: -70.642 tors. eta vs tors. theta energy: -98.434 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: 9 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1102.890366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.890366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.890366 (E_RNA) where: Base-Base interactions energy: -626.877 where: short stacking energy: -350.470 Base-Backbone interact. energy: 4.811 local terms energy: -480.824121 where: bonds (distance) C4'-P energy: -118.987 bonds (distance) P-C4' energy: -135.243 flat angles C4'-P-C4' energy: -105.106 flat angles P-C4'-P energy: -61.971 tors. eta vs tors. theta energy: -59.518 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: 9, replica: 5 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -836.163073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.163073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.163073 (E_RNA) where: Base-Base interactions energy: -420.696 where: short stacking energy: -216.902 Base-Backbone interact. energy: -2.119 local terms energy: -413.347499 where: bonds (distance) C4'-P energy: -118.552 bonds (distance) P-C4' energy: -103.691 flat angles C4'-P-C4' energy: -112.962 flat angles P-C4'-P energy: -80.961 tors. eta vs tors. theta energy: 2.818 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: 10, replica: 10 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -619.254146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.254146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.254146 (E_RNA) where: Base-Base interactions energy: -244.641 where: short stacking energy: -189.021 Base-Backbone interact. energy: 0.378 local terms energy: -376.035028 where: bonds (distance) C4'-P energy: -111.261 bonds (distance) P-C4' energy: -99.541 flat angles C4'-P-C4' energy: -102.807 flat angles P-C4'-P energy: -65.218 tors. eta vs tors. theta energy: 2.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.044 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2382.270046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.270046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.270046 (E_RNA) where: Base-Base interactions energy: -1656.394 where: short stacking energy: -681.352 Base-Backbone interact. energy: -1.591 local terms energy: -728.098893 where: bonds (distance) C4'-P energy: -149.196 bonds (distance) P-C4' energy: -139.908 flat angles C4'-P-C4' energy: -160.861 flat angles P-C4'-P energy: -109.823 tors. eta vs tors. theta energy: -168.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 3.814 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2263.598097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.598097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.598097 (E_RNA) where: Base-Base interactions energy: -1535.681 where: short stacking energy: -666.522 Base-Backbone interact. energy: -1.616 local terms energy: -726.300437 where: bonds (distance) C4'-P energy: -128.770 bonds (distance) P-C4' energy: -160.580 flat angles C4'-P-C4' energy: -148.859 flat angles P-C4'-P energy: -101.677 tors. eta vs tors. theta energy: -186.415 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: 3 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2134.934909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.934909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.934909 (E_RNA) where: Base-Base interactions energy: -1411.557 where: short stacking energy: -623.943 Base-Backbone interact. energy: -2.038 local terms energy: -721.340409 where: bonds (distance) C4'-P energy: -134.526 bonds (distance) P-C4' energy: -154.741 flat angles C4'-P-C4' energy: -155.399 flat angles P-C4'-P energy: -103.479 tors. eta vs tors. theta energy: -173.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2107.779889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.779889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.779889 (E_RNA) where: Base-Base interactions energy: -1403.780 where: short stacking energy: -603.715 Base-Backbone interact. energy: 5.714 local terms energy: -709.713393 where: bonds (distance) C4'-P energy: -140.721 bonds (distance) P-C4' energy: -145.846 flat angles C4'-P-C4' energy: -144.042 flat angles P-C4'-P energy: -100.845 tors. eta vs tors. theta energy: -178.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1863.074323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.074323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.074323 (E_RNA) where: Base-Base interactions energy: -1233.352 where: short stacking energy: -561.530 Base-Backbone interact. energy: -1.182 local terms energy: -628.541072 where: bonds (distance) C4'-P energy: -133.803 bonds (distance) P-C4' energy: -129.043 flat angles C4'-P-C4' energy: -136.696 flat angles P-C4'-P energy: -81.772 tors. eta vs tors. theta energy: -147.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1687.132887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.132887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.132887 (E_RNA) where: Base-Base interactions energy: -1123.814 where: short stacking energy: -504.314 Base-Backbone interact. energy: 0.826 local terms energy: -564.144979 where: bonds (distance) C4'-P energy: -121.443 bonds (distance) P-C4' energy: -140.560 flat angles C4'-P-C4' energy: -117.706 flat angles P-C4'-P energy: -83.979 tors. eta vs tors. theta energy: -100.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1529.184358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.184358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.184358 (E_RNA) where: Base-Base interactions energy: -970.169 where: short stacking energy: -442.796 Base-Backbone interact. energy: -0.348 local terms energy: -558.667178 where: bonds (distance) C4'-P energy: -120.448 bonds (distance) P-C4' energy: -128.097 flat angles C4'-P-C4' energy: -127.804 flat angles P-C4'-P energy: -76.999 tors. eta vs tors. theta energy: -105.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1107.873474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.873474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.873474 (E_RNA) where: Base-Base interactions energy: -599.509 where: short stacking energy: -313.488 Base-Backbone interact. energy: 0.466 local terms energy: -508.830422 where: bonds (distance) C4'-P energy: -115.256 bonds (distance) P-C4' energy: -144.778 flat angles C4'-P-C4' energy: -128.969 flat angles P-C4'-P energy: -73.959 tors. eta vs tors. theta energy: -45.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -911.291278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.291278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.291278 (E_RNA) where: Base-Base interactions energy: -477.098 where: short stacking energy: -242.551 Base-Backbone interact. energy: -0.991 local terms energy: -433.202568 where: bonds (distance) C4'-P energy: -120.285 bonds (distance) P-C4' energy: -129.303 flat angles C4'-P-C4' energy: -91.929 flat angles P-C4'-P energy: -63.336 tors. eta vs tors. theta energy: -28.351 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: 99 Temperature: 1.350000 Total energy: -548.673779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.673779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.673779 (E_RNA) where: Base-Base interactions energy: -192.025 where: short stacking energy: -171.443 Base-Backbone interact. energy: 6.371 local terms energy: -363.020077 where: bonds (distance) C4'-P energy: -106.552 bonds (distance) P-C4' energy: -104.849 flat angles C4'-P-C4' energy: -104.902 flat angles P-C4'-P energy: -69.015 tors. eta vs tors. theta energy: 22.299 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: 1, replica: 4 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2378.054602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.054602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.054602 (E_RNA) where: Base-Base interactions energy: -1630.010 where: short stacking energy: -666.380 Base-Backbone interact. energy: 1.237 local terms energy: -749.281367 where: bonds (distance) C4'-P energy: -153.206 bonds (distance) P-C4' energy: -156.597 flat angles C4'-P-C4' energy: -166.956 flat angles P-C4'-P energy: -100.029 tors. eta vs tors. theta energy: -172.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2281.549766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.549766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.549766 (E_RNA) where: Base-Base interactions energy: -1518.899 where: short stacking energy: -672.738 Base-Backbone interact. energy: 0.720 local terms energy: -763.370614 where: bonds (distance) C4'-P energy: -136.410 bonds (distance) P-C4' energy: -148.621 flat angles C4'-P-C4' energy: -170.495 flat angles P-C4'-P energy: -123.323 tors. eta vs tors. theta energy: -184.521 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: 2 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2192.667767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.667767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.667767 (E_RNA) where: Base-Base interactions energy: -1486.241 where: short stacking energy: -665.164 Base-Backbone interact. energy: -2.543 local terms energy: -703.883842 where: bonds (distance) C4'-P energy: -136.146 bonds (distance) P-C4' energy: -144.947 flat angles C4'-P-C4' energy: -159.498 flat angles P-C4'-P energy: -85.865 tors. eta vs tors. theta energy: -177.429 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: 4, replica: 3 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2077.404180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.404180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.404180 (E_RNA) where: Base-Base interactions energy: -1363.536 where: short stacking energy: -606.596 Base-Backbone interact. energy: -1.819 local terms energy: -712.049480 where: bonds (distance) C4'-P energy: -127.637 bonds (distance) P-C4' energy: -142.587 flat angles C4'-P-C4' energy: -160.804 flat angles P-C4'-P energy: -111.439 tors. eta vs tors. theta energy: -169.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1871.162372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.162372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.162372 (E_RNA) where: Base-Base interactions energy: -1239.046 where: short stacking energy: -535.080 Base-Backbone interact. energy: -1.105 local terms energy: -631.011322 where: bonds (distance) C4'-P energy: -128.733 bonds (distance) P-C4' energy: -137.619 flat angles C4'-P-C4' energy: -139.085 flat angles P-C4'-P energy: -99.694 tors. eta vs tors. theta energy: -125.881 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: 1 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1707.244053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.244053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.244053 (E_RNA) where: Base-Base interactions energy: -1129.835 where: short stacking energy: -491.276 Base-Backbone interact. energy: 4.232 local terms energy: -581.640912 where: bonds (distance) C4'-P energy: -107.934 bonds (distance) P-C4' energy: -139.930 flat angles C4'-P-C4' energy: -144.011 flat angles P-C4'-P energy: -81.898 tors. eta vs tors. theta energy: -107.868 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: 7 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1569.283354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.283354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.283354 (E_RNA) where: Base-Base interactions energy: -1002.778 where: short stacking energy: -492.408 Base-Backbone interact. energy: -1.890 local terms energy: -564.615381 where: bonds (distance) C4'-P energy: -108.809 bonds (distance) P-C4' energy: -124.068 flat angles C4'-P-C4' energy: -149.166 flat angles P-C4'-P energy: -72.377 tors. eta vs tors. theta energy: -110.195 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: 9 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1042.624647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.624647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.624647 (E_RNA) where: Base-Base interactions energy: -588.411 where: short stacking energy: -294.858 Base-Backbone interact. energy: 0.278 local terms energy: -457.710395 where: bonds (distance) C4'-P energy: -124.505 bonds (distance) P-C4' energy: -125.992 flat angles C4'-P-C4' energy: -109.291 flat angles P-C4'-P energy: -65.348 tors. eta vs tors. theta energy: -32.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 3.218 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -963.915916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.915916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.915916 (E_RNA) where: Base-Base interactions energy: -535.606 where: short stacking energy: -282.320 Base-Backbone interact. energy: -0.893 local terms energy: -427.416650 where: bonds (distance) C4'-P energy: -99.301 bonds (distance) P-C4' energy: -118.333 flat angles C4'-P-C4' energy: -113.715 flat angles P-C4'-P energy: -64.263 tors. eta vs tors. theta energy: -31.805 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: 10, replica: 10 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -632.475968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.475968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.475968 (E_RNA) where: Base-Base interactions energy: -257.097 where: short stacking energy: -219.969 Base-Backbone interact. energy: -2.044 local terms energy: -373.334669 where: bonds (distance) C4'-P energy: -117.462 bonds (distance) P-C4' energy: -134.885 flat angles C4'-P-C4' energy: -103.095 flat angles P-C4'-P energy: -18.909 tors. eta vs tors. theta energy: 1.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2389.307645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.307645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.307645 (E_RNA) where: Base-Base interactions energy: -1658.974 where: short stacking energy: -690.864 Base-Backbone interact. energy: -3.595 local terms energy: -726.739165 where: bonds (distance) C4'-P energy: -128.850 bonds (distance) P-C4' energy: -145.937 flat angles C4'-P-C4' energy: -162.772 flat angles P-C4'-P energy: -109.176 tors. eta vs tors. theta energy: -180.004 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: 2 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2291.610657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.610657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.610657 (E_RNA) where: Base-Base interactions energy: -1555.480 where: short stacking energy: -690.432 Base-Backbone interact. energy: -1.931 local terms energy: -734.198828 where: bonds (distance) C4'-P energy: -123.840 bonds (distance) P-C4' energy: -149.234 flat angles C4'-P-C4' energy: -158.575 flat angles P-C4'-P energy: -115.059 tors. eta vs tors. theta energy: -187.491 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: 6 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2218.294944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.294944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.294944 (E_RNA) where: Base-Base interactions energy: -1500.721 where: short stacking energy: -660.336 Base-Backbone interact. energy: -1.476 local terms energy: -716.098070 where: bonds (distance) C4'-P energy: -125.466 bonds (distance) P-C4' energy: -143.029 flat angles C4'-P-C4' energy: -164.322 flat angles P-C4'-P energy: -106.654 tors. eta vs tors. theta energy: -176.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2007.955189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.955189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.955189 (E_RNA) where: Base-Base interactions energy: -1347.519 where: short stacking energy: -576.021 Base-Backbone interact. energy: -2.414 local terms energy: -658.021976 where: bonds (distance) C4'-P energy: -125.461 bonds (distance) P-C4' energy: -132.563 flat angles C4'-P-C4' energy: -162.387 flat angles P-C4'-P energy: -95.246 tors. eta vs tors. theta energy: -142.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1852.234985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.234985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.234985 (E_RNA) where: Base-Base interactions energy: -1222.904 where: short stacking energy: -516.772 Base-Backbone interact. energy: 0.901 local terms energy: -630.231669 where: bonds (distance) C4'-P energy: -127.234 bonds (distance) P-C4' energy: -134.360 flat angles C4'-P-C4' energy: -138.078 flat angles P-C4'-P energy: -96.032 tors. eta vs tors. theta energy: -134.528 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: 1 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1709.096261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.096261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.096261 (E_RNA) where: Base-Base interactions energy: -1108.143 where: short stacking energy: -488.030 Base-Backbone interact. energy: -0.313 local terms energy: -600.640003 where: bonds (distance) C4'-P energy: -119.319 bonds (distance) P-C4' energy: -137.106 flat angles C4'-P-C4' energy: -146.338 flat angles P-C4'-P energy: -98.569 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: 7, replica: 7 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1510.399376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.399376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.399376 (E_RNA) where: Base-Base interactions energy: -943.054 where: short stacking energy: -439.785 Base-Backbone interact. energy: -3.050 local terms energy: -564.295550 where: bonds (distance) C4'-P energy: -120.302 bonds (distance) P-C4' energy: -141.472 flat angles C4'-P-C4' energy: -129.977 flat angles P-C4'-P energy: -84.357 tors. eta vs tors. theta energy: -88.188 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: 8, replica: 5 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1060.990248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.990248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.990248 (E_RNA) where: Base-Base interactions energy: -573.063 where: short stacking energy: -308.956 Base-Backbone interact. energy: -0.111 local terms energy: -487.816020 where: bonds (distance) C4'-P energy: -130.807 bonds (distance) P-C4' energy: -147.423 flat angles C4'-P-C4' energy: -120.492 flat angles P-C4'-P energy: -64.106 tors. eta vs tors. theta energy: -24.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -960.376321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.376321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.376321 (E_RNA) where: Base-Base interactions energy: -529.131 where: short stacking energy: -272.375 Base-Backbone interact. energy: -6.013 local terms energy: -425.231666 where: bonds (distance) C4'-P energy: -111.020 bonds (distance) P-C4' energy: -111.659 flat angles C4'-P-C4' energy: -113.746 flat angles P-C4'-P energy: -73.121 tors. eta vs tors. theta energy: -15.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -609.694099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.694099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.694099 (E_RNA) where: Base-Base interactions energy: -222.416 where: short stacking energy: -164.389 Base-Backbone interact. energy: -2.149 local terms energy: -385.129348 where: bonds (distance) C4'-P energy: -114.826 bonds (distance) P-C4' energy: -111.220 flat angles C4'-P-C4' energy: -119.226 flat angles P-C4'-P energy: -53.736 tors. eta vs tors. theta energy: 13.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2361.466885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.466885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.466885 (E_RNA) where: Base-Base interactions energy: -1616.914 where: short stacking energy: -652.681 Base-Backbone interact. energy: -0.628 local terms energy: -743.925446 where: bonds (distance) C4'-P energy: -139.226 bonds (distance) P-C4' energy: -163.051 flat angles C4'-P-C4' energy: -164.509 flat angles P-C4'-P energy: -94.617 tors. eta vs tors. theta energy: -182.523 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: 2 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2301.592011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.592011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.592011 (E_RNA) where: Base-Base interactions energy: -1593.661 where: short stacking energy: -710.256 Base-Backbone interact. energy: 3.126 local terms energy: -711.057005 where: bonds (distance) C4'-P energy: -130.626 bonds (distance) P-C4' energy: -140.459 flat angles C4'-P-C4' energy: -160.945 flat angles P-C4'-P energy: -90.850 tors. eta vs tors. theta energy: -188.177 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: 3, replica: 6 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2208.441163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.441163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.441163 (E_RNA) where: Base-Base interactions energy: -1493.174 where: short stacking energy: -638.399 Base-Backbone interact. energy: -1.969 local terms energy: -713.298351 where: bonds (distance) C4'-P energy: -138.842 bonds (distance) P-C4' energy: -143.375 flat angles C4'-P-C4' energy: -157.713 flat angles P-C4'-P energy: -106.129 tors. eta vs tors. theta energy: -167.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2033.995719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.995719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.995719 (E_RNA) where: Base-Base interactions energy: -1371.328 where: short stacking energy: -601.253 Base-Backbone interact. energy: -1.385 local terms energy: -661.282579 where: bonds (distance) C4'-P energy: -131.437 bonds (distance) P-C4' energy: -131.773 flat angles C4'-P-C4' energy: -151.491 flat angles P-C4'-P energy: -97.569 tors. eta vs tors. theta energy: -149.012 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: 8 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1855.092304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.092304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.092304 (E_RNA) where: Base-Base interactions energy: -1217.158 where: short stacking energy: -555.452 Base-Backbone interact. energy: 0.204 local terms energy: -638.138718 where: bonds (distance) C4'-P energy: -145.153 bonds (distance) P-C4' energy: -131.485 flat angles C4'-P-C4' energy: -144.481 flat angles P-C4'-P energy: -82.862 tors. eta vs tors. theta energy: -134.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1655.285172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.285172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.285172 (E_RNA) where: Base-Base interactions energy: -1103.688 where: short stacking energy: -486.199 Base-Backbone interact. energy: -0.608 local terms energy: -550.989486 where: bonds (distance) C4'-P energy: -117.884 bonds (distance) P-C4' energy: -129.561 flat angles C4'-P-C4' energy: -134.835 flat angles P-C4'-P energy: -82.667 tors. eta vs tors. theta energy: -86.042 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: 7 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1476.925027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.925027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.925027 (E_RNA) where: Base-Base interactions energy: -948.653 where: short stacking energy: -450.371 Base-Backbone interact. energy: 4.939 local terms energy: -533.210443 where: bonds (distance) C4'-P energy: -102.385 bonds (distance) P-C4' energy: -116.229 flat angles C4'-P-C4' energy: -138.543 flat angles P-C4'-P energy: -79.553 tors. eta vs tors. theta energy: -96.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1147.614345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.614345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.614345 (E_RNA) where: Base-Base interactions energy: -671.765 where: short stacking energy: -326.345 Base-Backbone interact. energy: -1.491 local terms energy: -474.358362 where: bonds (distance) C4'-P energy: -115.244 bonds (distance) P-C4' energy: -132.920 flat angles C4'-P-C4' energy: -102.509 flat angles P-C4'-P energy: -78.097 tors. eta vs tors. theta energy: -45.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -981.657530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.657530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.657530 (E_RNA) where: Base-Base interactions energy: -542.684 where: short stacking energy: -280.362 Base-Backbone interact. energy: -0.024 local terms energy: -438.949997 where: bonds (distance) C4'-P energy: -107.314 bonds (distance) P-C4' energy: -129.333 flat angles C4'-P-C4' energy: -108.532 flat angles P-C4'-P energy: -67.912 tors. eta vs tors. theta energy: -25.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -644.649193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.649193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.649193 (E_RNA) where: Base-Base interactions energy: -247.848 where: short stacking energy: -160.306 Base-Backbone interact. energy: 6.283 local terms energy: -403.085033 where: bonds (distance) C4'-P energy: -116.773 bonds (distance) P-C4' energy: -141.039 flat angles C4'-P-C4' energy: -118.948 flat angles P-C4'-P energy: -38.452 tors. eta vs tors. theta energy: 12.127 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: 4 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2391.211558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.211558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.211558 (E_RNA) where: Base-Base interactions energy: -1657.406 where: short stacking energy: -651.892 Base-Backbone interact. energy: -2.772 local terms energy: -731.034034 where: bonds (distance) C4'-P energy: -142.330 bonds (distance) P-C4' energy: -138.490 flat angles C4'-P-C4' energy: -169.406 flat angles P-C4'-P energy: -108.229 tors. eta vs tors. theta energy: -172.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2299.901312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.901312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.901312 (E_RNA) where: Base-Base interactions energy: -1563.367 where: short stacking energy: -662.872 Base-Backbone interact. energy: -3.266 local terms energy: -733.268740 where: bonds (distance) C4'-P energy: -145.736 bonds (distance) P-C4' energy: -147.642 flat angles C4'-P-C4' energy: -168.619 flat angles P-C4'-P energy: -93.980 tors. eta vs tors. theta energy: -177.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2215.289126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.289126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.289126 (E_RNA) where: Base-Base interactions energy: -1512.891 where: short stacking energy: -631.415 Base-Backbone interact. energy: -3.557 local terms energy: -698.840751 where: bonds (distance) C4'-P energy: -145.540 bonds (distance) P-C4' energy: -141.383 flat angles C4'-P-C4' energy: -156.163 flat angles P-C4'-P energy: -91.438 tors. eta vs tors. theta energy: -164.316 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: 103 Temperature: 1.050000 Total energy: -2010.415629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.415629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.415629 (E_RNA) where: Base-Base interactions energy: -1351.799 where: short stacking energy: -596.789 Base-Backbone interact. energy: -5.277 local terms energy: -653.340072 where: bonds (distance) C4'-P energy: -125.182 bonds (distance) P-C4' energy: -117.843 flat angles C4'-P-C4' energy: -160.089 flat angles P-C4'-P energy: -100.555 tors. eta vs tors. theta energy: -149.671 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: 8 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1910.510577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.510577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.510577 (E_RNA) where: Base-Base interactions energy: -1253.963 where: short stacking energy: -580.259 Base-Backbone interact. energy: -2.919 local terms energy: -653.629067 where: bonds (distance) C4'-P energy: -131.877 bonds (distance) P-C4' energy: -141.037 flat angles C4'-P-C4' energy: -153.296 flat angles P-C4'-P energy: -85.923 tors. eta vs tors. theta energy: -141.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1663.335138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.335138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.335138 (E_RNA) where: Base-Base interactions energy: -1098.807 where: short stacking energy: -478.001 Base-Backbone interact. energy: 1.618 local terms energy: -566.145650 where: bonds (distance) C4'-P energy: -119.220 bonds (distance) P-C4' energy: -145.974 flat angles C4'-P-C4' energy: -124.328 flat angles P-C4'-P energy: -77.599 tors. eta vs tors. theta energy: -99.025 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: 7 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1458.001715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.001715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.001715 (E_RNA) where: Base-Base interactions energy: -884.137 where: short stacking energy: -412.547 Base-Backbone interact. energy: -0.453 local terms energy: -573.411875 where: bonds (distance) C4'-P energy: -126.973 bonds (distance) P-C4' energy: -142.203 flat angles C4'-P-C4' energy: -134.625 flat angles P-C4'-P energy: -80.376 tors. eta vs tors. theta energy: -89.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1229.851126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.851126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.851126 (E_RNA) where: Base-Base interactions energy: -722.945 where: short stacking energy: -354.921 Base-Backbone interact. energy: 1.965 local terms energy: -508.870895 where: bonds (distance) C4'-P energy: -135.270 bonds (distance) P-C4' energy: -136.141 flat angles C4'-P-C4' energy: -115.983 flat angles P-C4'-P energy: -60.491 tors. eta vs tors. theta energy: -60.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -953.600687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.600687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.600687 (E_RNA) where: Base-Base interactions energy: -536.241 where: short stacking energy: -287.788 Base-Backbone interact. energy: 6.654 local terms energy: -424.013857 where: bonds (distance) C4'-P energy: -101.373 bonds (distance) P-C4' energy: -138.531 flat angles C4'-P-C4' energy: -107.466 flat angles P-C4'-P energy: -69.966 tors. eta vs tors. theta energy: -6.678 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: 10, replica: 10 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -653.054093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.054093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.054093 (E_RNA) where: Base-Base interactions energy: -257.169 where: short stacking energy: -189.300 Base-Backbone interact. energy: -1.083 local terms energy: -394.802491 where: bonds (distance) C4'-P energy: -128.763 bonds (distance) P-C4' energy: -130.350 flat angles C4'-P-C4' energy: -100.747 flat angles P-C4'-P energy: -56.917 tors. eta vs tors. theta energy: 21.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2412.440912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.440912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.440912 (E_RNA) where: Base-Base interactions energy: -1652.899 where: short stacking energy: -694.574 Base-Backbone interact. energy: -2.683 local terms energy: -756.858921 where: bonds (distance) C4'-P energy: -141.068 bonds (distance) P-C4' energy: -161.760 flat angles C4'-P-C4' energy: -166.531 flat angles P-C4'-P energy: -108.467 tors. eta vs tors. theta energy: -179.034 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: 2, replica: 2 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2338.719416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.719416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.719416 (E_RNA) where: Base-Base interactions energy: -1576.916 where: short stacking energy: -699.762 Base-Backbone interact. energy: -0.629 local terms energy: -761.174710 where: bonds (distance) C4'-P energy: -140.214 bonds (distance) P-C4' energy: -160.533 flat angles C4'-P-C4' energy: -168.340 flat angles P-C4'-P energy: -109.451 tors. eta vs tors. theta energy: -182.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2209.030512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.030512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.030512 (E_RNA) where: Base-Base interactions energy: -1519.750 where: short stacking energy: -645.424 Base-Backbone interact. energy: -4.845 local terms energy: -684.435116 where: bonds (distance) C4'-P energy: -136.386 bonds (distance) P-C4' energy: -135.657 flat angles C4'-P-C4' energy: -151.363 flat angles P-C4'-P energy: -80.062 tors. eta vs tors. theta energy: -180.967 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: 3 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2010.458187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.458187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.458187 (E_RNA) where: Base-Base interactions energy: -1353.184 where: short stacking energy: -576.143 Base-Backbone interact. energy: -4.347 local terms energy: -652.927508 where: bonds (distance) C4'-P energy: -133.109 bonds (distance) P-C4' energy: -116.297 flat angles C4'-P-C4' energy: -164.022 flat angles P-C4'-P energy: -100.475 tors. eta vs tors. theta energy: -139.025 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: 8 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1909.129370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.129370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.129370 (E_RNA) where: Base-Base interactions energy: -1258.041 where: short stacking energy: -543.415 Base-Backbone interact. energy: -2.721 local terms energy: -648.368102 where: bonds (distance) C4'-P energy: -127.020 bonds (distance) P-C4' energy: -124.890 flat angles C4'-P-C4' energy: -149.041 flat angles P-C4'-P energy: -109.195 tors. eta vs tors. theta energy: -138.222 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: 1 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1749.443264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.443264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.443264 (E_RNA) where: Base-Base interactions energy: -1123.544 where: short stacking energy: -484.444 Base-Backbone interact. energy: 1.037 local terms energy: -626.936146 where: bonds (distance) C4'-P energy: -131.384 bonds (distance) P-C4' energy: -123.685 flat angles C4'-P-C4' energy: -147.082 flat angles P-C4'-P energy: -101.693 tors. eta vs tors. theta energy: -123.091 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: 7, replica: 7 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1446.067295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.067295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.067295 (E_RNA) where: Base-Base interactions energy: -924.744 where: short stacking energy: -404.609 Base-Backbone interact. energy: 0.183 local terms energy: -521.505722 where: bonds (distance) C4'-P energy: -97.535 bonds (distance) P-C4' energy: -131.619 flat angles C4'-P-C4' energy: -132.246 flat angles P-C4'-P energy: -76.727 tors. eta vs tors. theta energy: -83.379 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: 5 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1257.615921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.615921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.615921 (E_RNA) where: Base-Base interactions energy: -768.441 where: short stacking energy: -340.380 Base-Backbone interact. energy: -0.429 local terms energy: -488.746635 where: bonds (distance) C4'-P energy: -113.188 bonds (distance) P-C4' energy: -113.815 flat angles C4'-P-C4' energy: -128.439 flat angles P-C4'-P energy: -71.505 tors. eta vs tors. theta energy: -61.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -893.328168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.328168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.328168 (E_RNA) where: Base-Base interactions energy: -459.792 where: short stacking energy: -231.970 Base-Backbone interact. energy: -2.784 local terms energy: -430.758618 where: bonds (distance) C4'-P energy: -132.651 bonds (distance) P-C4' energy: -125.027 flat angles C4'-P-C4' energy: -90.721 flat angles P-C4'-P energy: -67.088 tors. eta vs tors. theta energy: -15.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.006 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -650.780661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.780661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.780661 (E_RNA) where: Base-Base interactions energy: -296.517 where: short stacking energy: -171.553 Base-Backbone interact. energy: 8.674 local terms energy: -362.938249 where: bonds (distance) C4'-P energy: -116.990 bonds (distance) P-C4' energy: -117.361 flat angles C4'-P-C4' energy: -93.440 flat angles P-C4'-P energy: -63.437 tors. eta vs tors. theta energy: 28.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2376.015047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.015047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.015047 (E_RNA) where: Base-Base interactions energy: -1661.498 where: short stacking energy: -676.783 Base-Backbone interact. energy: -0.218 local terms energy: -714.298247 where: bonds (distance) C4'-P energy: -144.566 bonds (distance) P-C4' energy: -136.665 flat angles C4'-P-C4' energy: -154.047 flat angles P-C4'-P energy: -101.120 tors. eta vs tors. theta energy: -177.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2378.986861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.986861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.986861 (E_RNA) where: Base-Base interactions energy: -1628.960 where: short stacking energy: -704.724 Base-Backbone interact. energy: -1.646 local terms energy: -748.380962 where: bonds (distance) C4'-P energy: -143.008 bonds (distance) P-C4' energy: -141.081 flat angles C4'-P-C4' energy: -153.053 flat angles P-C4'-P energy: -112.454 tors. eta vs tors. theta energy: -198.784 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: 3, replica: 6 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2148.196442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.196442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.196442 (E_RNA) where: Base-Base interactions energy: -1484.021 where: short stacking energy: -633.469 Base-Backbone interact. energy: 0.966 local terms energy: -665.141076 where: bonds (distance) C4'-P energy: -140.001 bonds (distance) P-C4' energy: -132.568 flat angles C4'-P-C4' energy: -144.595 flat angles P-C4'-P energy: -97.009 tors. eta vs tors. theta energy: -150.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1967.504537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.504537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.504537 (E_RNA) where: Base-Base interactions energy: -1275.719 where: short stacking energy: -612.302 Base-Backbone interact. energy: 4.980 local terms energy: -696.765859 where: bonds (distance) C4'-P energy: -139.225 bonds (distance) P-C4' energy: -147.363 flat angles C4'-P-C4' energy: -153.832 flat angles P-C4'-P energy: -98.878 tors. eta vs tors. theta energy: -157.468 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: 5, replica: 8 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1944.854586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.854586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.854586 (E_RNA) where: Base-Base interactions energy: -1279.184 where: short stacking energy: -578.284 Base-Backbone interact. energy: -0.111 local terms energy: -665.558906 where: bonds (distance) C4'-P energy: -136.309 bonds (distance) P-C4' energy: -149.636 flat angles C4'-P-C4' energy: -138.343 flat angles P-C4'-P energy: -93.615 tors. eta vs tors. theta energy: -147.657 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: 6, replica: 1 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1734.893948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.893948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.893948 (E_RNA) where: Base-Base interactions energy: -1158.867 where: short stacking energy: -514.708 Base-Backbone interact. energy: 0.748 local terms energy: -576.774512 where: bonds (distance) C4'-P energy: -110.074 bonds (distance) P-C4' energy: -130.371 flat angles C4'-P-C4' energy: -135.617 flat angles P-C4'-P energy: -85.766 tors. eta vs tors. theta energy: -114.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1435.682926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.682926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.682926 (E_RNA) where: Base-Base interactions energy: -877.599 where: short stacking energy: -423.470 Base-Backbone interact. energy: -2.044 local terms energy: -556.040037 where: bonds (distance) C4'-P energy: -122.026 bonds (distance) P-C4' energy: -150.529 flat angles C4'-P-C4' energy: -130.779 flat angles P-C4'-P energy: -78.002 tors. eta vs tors. theta energy: -74.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1227.020532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.020532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.020532 (E_RNA) where: Base-Base interactions energy: -690.309 where: short stacking energy: -330.807 Base-Backbone interact. energy: -1.533 local terms energy: -535.178127 where: bonds (distance) C4'-P energy: -138.503 bonds (distance) P-C4' energy: -125.571 flat angles C4'-P-C4' energy: -121.739 flat angles P-C4'-P energy: -91.117 tors. eta vs tors. theta energy: -58.249 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: 9, replica: 9 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -963.661783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.661783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.661783 (E_RNA) where: Base-Base interactions energy: -519.163 where: short stacking energy: -268.375 Base-Backbone interact. energy: 0.726 local terms energy: -445.755827 where: bonds (distance) C4'-P energy: -132.884 bonds (distance) P-C4' energy: -131.957 flat angles C4'-P-C4' energy: -118.232 flat angles P-C4'-P energy: -58.337 tors. eta vs tors. theta energy: -4.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.531 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -603.055715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.055715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.055715 (E_RNA) where: Base-Base interactions energy: -273.154 where: short stacking energy: -196.997 Base-Backbone interact. energy: 6.276 local terms energy: -336.177616 where: bonds (distance) C4'-P energy: -108.276 bonds (distance) P-C4' energy: -107.997 flat angles C4'-P-C4' energy: -84.055 flat angles P-C4'-P energy: -64.844 tors. eta vs tors. theta energy: 28.993 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: 2 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2409.795108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.795108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.795108 (E_RNA) where: Base-Base interactions energy: -1640.406 where: short stacking energy: -704.214 Base-Backbone interact. energy: -2.228 local terms energy: -767.161652 where: bonds (distance) C4'-P energy: -139.350 bonds (distance) P-C4' energy: -159.102 flat angles C4'-P-C4' energy: -165.186 flat angles P-C4'-P energy: -111.563 tors. eta vs tors. theta energy: -191.960 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: 2, replica: 4 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2349.885356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.885356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.885356 (E_RNA) where: Base-Base interactions energy: -1645.092 where: short stacking energy: -696.447 Base-Backbone interact. energy: -1.471 local terms energy: -703.322718 where: bonds (distance) C4'-P energy: -132.974 bonds (distance) P-C4' energy: -145.340 flat angles C4'-P-C4' energy: -154.499 flat angles P-C4'-P energy: -99.109 tors. eta vs tors. theta energy: -171.400 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: 6 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2169.565938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.565938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.565938 (E_RNA) where: Base-Base interactions energy: -1497.882 where: short stacking energy: -653.908 Base-Backbone interact. energy: 5.020 local terms energy: -676.704385 where: bonds (distance) C4'-P energy: -139.744 bonds (distance) P-C4' energy: -121.628 flat angles C4'-P-C4' energy: -159.950 flat angles P-C4'-P energy: -98.067 tors. eta vs tors. theta energy: -157.315 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: 4, replica: 3 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1924.550386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.550386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.550386 (E_RNA) where: Base-Base interactions energy: -1271.054 where: short stacking energy: -577.331 Base-Backbone interact. energy: -0.254 local terms energy: -653.242273 where: bonds (distance) C4'-P energy: -133.683 bonds (distance) P-C4' energy: -137.999 flat angles C4'-P-C4' energy: -139.728 flat angles P-C4'-P energy: -97.434 tors. eta vs tors. theta energy: -144.398 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: 8 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1889.114112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.114112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.114112 (E_RNA) where: Base-Base interactions energy: -1252.700 where: short stacking energy: -548.023 Base-Backbone interact. energy: -3.717 local terms energy: -632.697163 where: bonds (distance) C4'-P energy: -123.801 bonds (distance) P-C4' energy: -130.417 flat angles C4'-P-C4' energy: -143.783 flat angles P-C4'-P energy: -88.892 tors. eta vs tors. theta energy: -145.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1780.979431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.979431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.979431 (E_RNA) where: Base-Base interactions energy: -1184.051 where: short stacking energy: -515.537 Base-Backbone interact. energy: -1.992 local terms energy: -594.936223 where: bonds (distance) C4'-P energy: -119.490 bonds (distance) P-C4' energy: -146.454 flat angles C4'-P-C4' energy: -125.679 flat angles P-C4'-P energy: -86.066 tors. eta vs tors. theta energy: -117.247 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: 7 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1441.110284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.110284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.110284 (E_RNA) where: Base-Base interactions energy: -906.054 where: short stacking energy: -451.033 Base-Backbone interact. energy: -2.924 local terms energy: -532.131582 where: bonds (distance) C4'-P energy: -133.278 bonds (distance) P-C4' energy: -97.980 flat angles C4'-P-C4' energy: -135.832 flat angles P-C4'-P energy: -71.873 tors. eta vs tors. theta energy: -93.169 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: 8, replica: 5 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1283.122075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.122075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.122075 (E_RNA) where: Base-Base interactions energy: -785.558 where: short stacking energy: -385.216 Base-Backbone interact. energy: -1.241 local terms energy: -496.323059 where: bonds (distance) C4'-P energy: -108.744 bonds (distance) P-C4' energy: -137.245 flat angles C4'-P-C4' energy: -115.829 flat angles P-C4'-P energy: -66.977 tors. eta vs tors. theta energy: -67.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -925.622175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.622175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.622175 (E_RNA) where: Base-Base interactions energy: -496.071 where: short stacking energy: -273.598 Base-Backbone interact. energy: 3.059 local terms energy: -432.609627 where: bonds (distance) C4'-P energy: -102.764 bonds (distance) P-C4' energy: -119.588 flat angles C4'-P-C4' energy: -111.199 flat angles P-C4'-P energy: -77.881 tors. eta vs tors. theta energy: -21.177 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: 10, replica: 10 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -577.668066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.668066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.668066 (E_RNA) where: Base-Base interactions energy: -198.546 where: short stacking energy: -175.029 Base-Backbone interact. energy: -2.735 local terms energy: -376.387218 where: bonds (distance) C4'-P energy: -116.567 bonds (distance) P-C4' energy: -133.475 flat angles C4'-P-C4' energy: -101.065 flat angles P-C4'-P energy: -51.616 tors. eta vs tors. theta energy: 26.336 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: 2 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2386.977378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.977378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.977378 (E_RNA) where: Base-Base interactions energy: -1618.722 where: short stacking energy: -694.515 Base-Backbone interact. energy: -0.719 local terms energy: -767.536331 where: bonds (distance) C4'-P energy: -149.852 bonds (distance) P-C4' energy: -146.544 flat angles C4'-P-C4' energy: -162.492 flat angles P-C4'-P energy: -108.831 tors. eta vs tors. theta energy: -199.817 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: 4 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2364.747778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.747778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.747778 (E_RNA) where: Base-Base interactions energy: -1631.957 where: short stacking energy: -678.532 Base-Backbone interact. energy: -1.677 local terms energy: -731.114183 where: bonds (distance) C4'-P energy: -143.618 bonds (distance) P-C4' energy: -151.059 flat angles C4'-P-C4' energy: -155.295 flat angles P-C4'-P energy: -103.112 tors. eta vs tors. theta energy: -178.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2171.024810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.024810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.024810 (E_RNA) where: Base-Base interactions energy: -1505.128 where: short stacking energy: -617.789 Base-Backbone interact. energy: -1.930 local terms energy: -663.967132 where: bonds (distance) C4'-P energy: -116.305 bonds (distance) P-C4' energy: -151.459 flat angles C4'-P-C4' energy: -154.436 flat angles P-C4'-P energy: -83.299 tors. eta vs tors. theta energy: -158.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1972.304173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.304173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.304173 (E_RNA) where: Base-Base interactions energy: -1305.957 where: short stacking energy: -599.346 Base-Backbone interact. energy: -2.561 local terms energy: -663.786053 where: bonds (distance) C4'-P energy: -134.154 bonds (distance) P-C4' energy: -140.243 flat angles C4'-P-C4' energy: -147.887 flat angles P-C4'-P energy: -100.932 tors. eta vs tors. theta energy: -140.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1875.400333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.400333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.400333 (E_RNA) where: Base-Base interactions energy: -1234.130 where: short stacking energy: -528.203 Base-Backbone interact. energy: -3.228 local terms energy: -638.042845 where: bonds (distance) C4'-P energy: -131.677 bonds (distance) P-C4' energy: -137.012 flat angles C4'-P-C4' energy: -149.389 flat angles P-C4'-P energy: -95.925 tors. eta vs tors. theta energy: -124.040 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: 1 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1766.948100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.948100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.948100 (E_RNA) where: Base-Base interactions energy: -1142.273 where: short stacking energy: -483.345 Base-Backbone interact. energy: -3.695 local terms energy: -620.979513 where: bonds (distance) C4'-P energy: -139.630 bonds (distance) P-C4' energy: -129.624 flat angles C4'-P-C4' energy: -144.030 flat angles P-C4'-P energy: -90.541 tors. eta vs tors. theta energy: -117.154 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: 7 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1382.333373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.333373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.333373 (E_RNA) where: Base-Base interactions energy: -868.614 where: short stacking energy: -410.583 Base-Backbone interact. energy: -0.452 local terms energy: -513.267398 where: bonds (distance) C4'-P energy: -112.945 bonds (distance) P-C4' energy: -120.689 flat angles C4'-P-C4' energy: -129.318 flat angles P-C4'-P energy: -84.512 tors. eta vs tors. theta energy: -65.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1251.385794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.385794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.385794 (E_RNA) where: Base-Base interactions energy: -722.437 where: short stacking energy: -334.250 Base-Backbone interact. energy: -0.995 local terms energy: -527.953436 where: bonds (distance) C4'-P energy: -117.358 bonds (distance) P-C4' energy: -138.351 flat angles C4'-P-C4' energy: -129.727 flat angles P-C4'-P energy: -81.516 tors. eta vs tors. theta energy: -61.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -933.093511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.093511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.093511 (E_RNA) where: Base-Base interactions energy: -482.277 where: short stacking energy: -289.106 Base-Backbone interact. energy: 3.045 local terms energy: -453.861871 where: bonds (distance) C4'-P energy: -119.768 bonds (distance) P-C4' energy: -137.615 flat angles C4'-P-C4' energy: -123.818 flat angles P-C4'-P energy: -56.945 tors. eta vs tors. theta energy: -15.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -587.326608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.326608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.326608 (E_RNA) where: Base-Base interactions energy: -198.380 where: short stacking energy: -151.007 Base-Backbone interact. energy: -1.067 local terms energy: -387.879122 where: bonds (distance) C4'-P energy: -136.026 bonds (distance) P-C4' energy: -118.967 flat angles C4'-P-C4' energy: -115.131 flat angles P-C4'-P energy: -49.764 tors. eta vs tors. theta energy: 32.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2411.492968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.492968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.492968 (E_RNA) where: Base-Base interactions energy: -1633.604 where: short stacking energy: -716.853 Base-Backbone interact. energy: -2.892 local terms energy: -774.997387 where: bonds (distance) C4'-P energy: -135.139 bonds (distance) P-C4' energy: -150.395 flat angles C4'-P-C4' energy: -175.514 flat angles P-C4'-P energy: -113.321 tors. eta vs tors. theta energy: -200.628 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: 108 Temperature: 0.950000 Total energy: -2338.309994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.309994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.309994 (E_RNA) where: Base-Base interactions energy: -1618.254 where: short stacking energy: -656.191 Base-Backbone interact. energy: 0.790 local terms energy: -720.846604 where: bonds (distance) C4'-P energy: -127.603 bonds (distance) P-C4' energy: -155.047 flat angles C4'-P-C4' energy: -165.314 flat angles P-C4'-P energy: -105.459 tors. eta vs tors. theta energy: -167.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2216.625207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.625207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.625207 (E_RNA) where: Base-Base interactions energy: -1499.462 where: short stacking energy: -647.349 Base-Backbone interact. energy: -3.040 local terms energy: -714.123083 where: bonds (distance) C4'-P energy: -141.667 bonds (distance) P-C4' energy: -149.854 flat angles C4'-P-C4' energy: -156.775 flat angles P-C4'-P energy: -97.331 tors. eta vs tors. theta energy: -168.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1995.241116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.241116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.241116 (E_RNA) where: Base-Base interactions energy: -1308.679 where: short stacking energy: -592.428 Base-Backbone interact. energy: 2.289 local terms energy: -690.609975 where: bonds (distance) C4'-P energy: -132.076 bonds (distance) P-C4' energy: -148.458 flat angles C4'-P-C4' energy: -149.770 flat angles P-C4'-P energy: -108.639 tors. eta vs tors. theta energy: -151.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.759 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1880.482818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.482818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.482818 (E_RNA) where: Base-Base interactions energy: -1252.592 where: short stacking energy: -542.668 Base-Backbone interact. energy: -2.619 local terms energy: -625.271703 where: bonds (distance) C4'-P energy: -127.870 bonds (distance) P-C4' energy: -131.926 flat angles C4'-P-C4' energy: -138.664 flat angles P-C4'-P energy: -87.016 tors. eta vs tors. theta energy: -139.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1707.877034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.877034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.877034 (E_RNA) where: Base-Base interactions energy: -1124.091 where: short stacking energy: -492.883 Base-Backbone interact. energy: -0.483 local terms energy: -583.302855 where: bonds (distance) C4'-P energy: -120.972 bonds (distance) P-C4' energy: -119.441 flat angles C4'-P-C4' energy: -143.961 flat angles P-C4'-P energy: -87.303 tors. eta vs tors. theta energy: -111.626 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: 7 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1376.278752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.278752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.278752 (E_RNA) where: Base-Base interactions energy: -856.757 where: short stacking energy: -398.199 Base-Backbone interact. energy: 1.822 local terms energy: -521.343398 where: bonds (distance) C4'-P energy: -128.822 bonds (distance) P-C4' energy: -133.655 flat angles C4'-P-C4' energy: -118.094 flat angles P-C4'-P energy: -79.475 tors. eta vs tors. theta energy: -61.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1220.576547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.576547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.576547 (E_RNA) where: Base-Base interactions energy: -733.639 where: short stacking energy: -339.770 Base-Backbone interact. energy: -2.445 local terms energy: -484.493298 where: bonds (distance) C4'-P energy: -110.410 bonds (distance) P-C4' energy: -125.953 flat angles C4'-P-C4' energy: -121.822 flat angles P-C4'-P energy: -67.402 tors. eta vs tors. theta energy: -58.907 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: 9 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -976.748087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.748087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.748087 (E_RNA) where: Base-Base interactions energy: -531.951 where: short stacking energy: -294.587 Base-Backbone interact. energy: -1.650 local terms energy: -443.146889 where: bonds (distance) C4'-P energy: -132.310 bonds (distance) P-C4' energy: -101.616 flat angles C4'-P-C4' energy: -108.679 flat angles P-C4'-P energy: -69.139 tors. eta vs tors. theta energy: -31.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -603.811272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.811272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.811272 (E_RNA) where: Base-Base interactions energy: -219.424 where: short stacking energy: -183.418 Base-Backbone interact. energy: 3.030 local terms energy: -387.417122 where: bonds (distance) C4'-P energy: -101.985 bonds (distance) P-C4' energy: -125.004 flat angles C4'-P-C4' energy: -107.302 flat angles P-C4'-P energy: -65.589 tors. eta vs tors. theta energy: 12.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2424.679760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.679760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.679760 (E_RNA) where: Base-Base interactions energy: -1662.907 where: short stacking energy: -710.628 Base-Backbone interact. energy: -4.977 local terms energy: -756.795526 where: bonds (distance) C4'-P energy: -148.175 bonds (distance) P-C4' energy: -143.364 flat angles C4'-P-C4' energy: -175.753 flat angles P-C4'-P energy: -98.160 tors. eta vs tors. theta energy: -191.343 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: 2, replica: 4 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2350.161966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.161966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.161966 (E_RNA) where: Base-Base interactions energy: -1628.481 where: short stacking energy: -672.844 Base-Backbone interact. energy: -2.369 local terms energy: -719.311860 where: bonds (distance) C4'-P energy: -131.667 bonds (distance) P-C4' energy: -148.045 flat angles C4'-P-C4' energy: -160.553 flat angles P-C4'-P energy: -110.401 tors. eta vs tors. theta energy: -168.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2138.912722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.912722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.912722 (E_RNA) where: Base-Base interactions energy: -1472.442 where: short stacking energy: -634.980 Base-Backbone interact. energy: -1.002 local terms energy: -665.469027 where: bonds (distance) C4'-P energy: -125.257 bonds (distance) P-C4' energy: -146.878 flat angles C4'-P-C4' energy: -143.798 flat angles P-C4'-P energy: -83.548 tors. eta vs tors. theta energy: -165.988 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: 8 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2056.725743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.725743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.725743 (E_RNA) where: Base-Base interactions energy: -1384.803 where: short stacking energy: -591.854 Base-Backbone interact. energy: -2.032 local terms energy: -669.891307 where: bonds (distance) C4'-P energy: -140.160 bonds (distance) P-C4' energy: -139.077 flat angles C4'-P-C4' energy: -152.601 flat angles P-C4'-P energy: -77.151 tors. eta vs tors. theta energy: -160.903 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: 5, replica: 3 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1888.795347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.795347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.795347 (E_RNA) where: Base-Base interactions energy: -1225.212 where: short stacking energy: -570.087 Base-Backbone interact. energy: -2.717 local terms energy: -660.865965 where: bonds (distance) C4'-P energy: -131.012 bonds (distance) P-C4' energy: -134.348 flat angles C4'-P-C4' energy: -150.011 flat angles P-C4'-P energy: -97.493 tors. eta vs tors. theta energy: -148.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1724.908049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.908049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.908049 (E_RNA) where: Base-Base interactions energy: -1143.655 where: short stacking energy: -518.580 Base-Backbone interact. energy: -3.292 local terms energy: -577.960647 where: bonds (distance) C4'-P energy: -119.526 bonds (distance) P-C4' energy: -120.075 flat angles C4'-P-C4' energy: -134.492 flat angles P-C4'-P energy: -82.669 tors. eta vs tors. theta energy: -121.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1425.673901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.673901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.673901 (E_RNA) where: Base-Base interactions energy: -934.109 where: short stacking energy: -409.745 Base-Backbone interact. energy: 4.223 local terms energy: -495.787912 where: bonds (distance) C4'-P energy: -107.299 bonds (distance) P-C4' energy: -117.611 flat angles C4'-P-C4' energy: -120.965 flat angles P-C4'-P energy: -80.508 tors. eta vs tors. theta energy: -69.405 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: 8, replica: 5 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1222.024070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.024070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.024070 (E_RNA) where: Base-Base interactions energy: -755.811 where: short stacking energy: -364.773 Base-Backbone interact. energy: 1.555 local terms energy: -467.767835 where: bonds (distance) C4'-P energy: -108.909 bonds (distance) P-C4' energy: -116.709 flat angles C4'-P-C4' energy: -123.086 flat angles P-C4'-P energy: -53.906 tors. eta vs tors. theta energy: -65.158 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: 9, replica: 9 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -878.491079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.491079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.491079 (E_RNA) where: Base-Base interactions energy: -454.602 where: short stacking energy: -254.949 Base-Backbone interact. energy: 2.095 local terms energy: -425.983922 where: bonds (distance) C4'-P energy: -118.674 bonds (distance) P-C4' energy: -102.512 flat angles C4'-P-C4' energy: -114.830 flat angles P-C4'-P energy: -79.954 tors. eta vs tors. theta energy: -10.013 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: 109 Temperature: 1.350000 Total energy: -562.605773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.605773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.605773 (E_RNA) where: Base-Base interactions energy: -185.186 where: short stacking energy: -136.130 Base-Backbone interact. energy: -2.808 local terms energy: -374.612597 where: bonds (distance) C4'-P energy: -104.017 bonds (distance) P-C4' energy: -122.744 flat angles C4'-P-C4' energy: -116.546 flat angles P-C4'-P energy: -67.369 tors. eta vs tors. theta energy: 36.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2454.905448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.905448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.905448 (E_RNA) where: Base-Base interactions energy: -1680.343 where: short stacking energy: -706.489 Base-Backbone interact. energy: -1.874 local terms energy: -772.687922 where: bonds (distance) C4'-P energy: -156.106 bonds (distance) P-C4' energy: -147.064 flat angles C4'-P-C4' energy: -162.010 flat angles P-C4'-P energy: -114.754 tors. eta vs tors. theta energy: -192.754 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: 4 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2342.911767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.911767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.911767 (E_RNA) where: Base-Base interactions energy: -1618.498 where: short stacking energy: -668.342 Base-Backbone interact. energy: 0.802 local terms energy: -725.215641 where: bonds (distance) C4'-P energy: -146.170 bonds (distance) P-C4' energy: -155.255 flat angles C4'-P-C4' energy: -159.990 flat angles P-C4'-P energy: -94.896 tors. eta vs tors. theta energy: -168.905 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: 6 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2188.818502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.818502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.818502 (E_RNA) where: Base-Base interactions energy: -1494.055 where: short stacking energy: -605.663 Base-Backbone interact. energy: -2.933 local terms energy: -691.830138 where: bonds (distance) C4'-P energy: -149.656 bonds (distance) P-C4' energy: -130.336 flat angles C4'-P-C4' energy: -161.277 flat angles P-C4'-P energy: -97.118 tors. eta vs tors. theta energy: -153.443 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: 8 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1983.812773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.812773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.812773 (E_RNA) where: Base-Base interactions energy: -1319.653 where: short stacking energy: -575.490 Base-Backbone interact. energy: 0.527 local terms energy: -664.686628 where: bonds (distance) C4'-P energy: -137.486 bonds (distance) P-C4' energy: -142.458 flat angles C4'-P-C4' energy: -144.144 flat angles P-C4'-P energy: -89.582 tors. eta vs tors. theta energy: -151.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1868.326862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.326862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.326862 (E_RNA) where: Base-Base interactions energy: -1216.351 where: short stacking energy: -536.140 Base-Backbone interact. energy: 0.166 local terms energy: -652.141628 where: bonds (distance) C4'-P energy: -133.190 bonds (distance) P-C4' energy: -135.944 flat angles C4'-P-C4' energy: -145.215 flat angles P-C4'-P energy: -101.754 tors. eta vs tors. theta energy: -136.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1707.261884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.261884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.261884 (E_RNA) where: Base-Base interactions energy: -1097.213 where: short stacking energy: -491.032 Base-Backbone interact. energy: -1.283 local terms energy: -608.765299 where: bonds (distance) C4'-P energy: -126.671 bonds (distance) P-C4' energy: -131.011 flat angles C4'-P-C4' energy: -143.344 flat angles P-C4'-P energy: -90.114 tors. eta vs tors. theta energy: -117.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1518.365122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.365122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.365122 (E_RNA) where: Base-Base interactions energy: -952.784 where: short stacking energy: -403.717 Base-Backbone interact. energy: -1.336 local terms energy: -564.244935 where: bonds (distance) C4'-P energy: -121.477 bonds (distance) P-C4' energy: -147.148 flat angles C4'-P-C4' energy: -131.398 flat angles P-C4'-P energy: -77.392 tors. eta vs tors. theta energy: -86.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1142.120298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.120298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.120298 (E_RNA) where: Base-Base interactions energy: -690.867 where: short stacking energy: -327.394 Base-Backbone interact. energy: 5.945 local terms energy: -457.198913 where: bonds (distance) C4'-P energy: -110.768 bonds (distance) P-C4' energy: -125.272 flat angles C4'-P-C4' energy: -110.594 flat angles P-C4'-P energy: -74.660 tors. eta vs tors. theta energy: -35.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -864.324527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.324527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.324527 (E_RNA) where: Base-Base interactions energy: -456.716 where: short stacking energy: -243.310 Base-Backbone interact. energy: 3.802 local terms energy: -411.411073 where: bonds (distance) C4'-P energy: -121.944 bonds (distance) P-C4' energy: -129.911 flat angles C4'-P-C4' energy: -93.275 flat angles P-C4'-P energy: -57.440 tors. eta vs tors. theta energy: -8.841 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: 110 Temperature: 1.350000 Total energy: -558.598652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.598652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.598652 (E_RNA) where: Base-Base interactions energy: -192.811 where: short stacking energy: -156.349 Base-Backbone interact. energy: -1.225 local terms energy: -364.563163 where: bonds (distance) C4'-P energy: -125.344 bonds (distance) P-C4' energy: -117.865 flat angles C4'-P-C4' energy: -94.686 flat angles P-C4'-P energy: -62.114 tors. eta vs tors. theta energy: 35.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2471.798505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.798505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.798505 (E_RNA) where: Base-Base interactions energy: -1690.860 where: short stacking energy: -704.727 Base-Backbone interact. energy: -2.655 local terms energy: -778.283295 where: bonds (distance) C4'-P energy: -145.274 bonds (distance) P-C4' energy: -151.710 flat angles C4'-P-C4' energy: -157.307 flat angles P-C4'-P energy: -122.836 tors. eta vs tors. theta energy: -201.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2381.793661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.793661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.793661 (E_RNA) where: Base-Base interactions energy: -1654.212 where: short stacking energy: -678.401 Base-Backbone interact. energy: -3.899 local terms energy: -723.682796 where: bonds (distance) C4'-P energy: -129.344 bonds (distance) P-C4' energy: -151.157 flat angles C4'-P-C4' energy: -164.207 flat angles P-C4'-P energy: -93.625 tors. eta vs tors. theta energy: -185.350 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: 3, replica: 6 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2137.950252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.950252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.950252 (E_RNA) where: Base-Base interactions energy: -1462.702 where: short stacking energy: -616.609 Base-Backbone interact. energy: -2.294 local terms energy: -672.954185 where: bonds (distance) C4'-P energy: -137.177 bonds (distance) P-C4' energy: -142.035 flat angles C4'-P-C4' energy: -143.202 flat angles P-C4'-P energy: -86.761 tors. eta vs tors. theta energy: -163.779 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: 4, replica: 8 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2013.517138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.517138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.517138 (E_RNA) where: Base-Base interactions energy: -1350.687 where: short stacking energy: -614.177 Base-Backbone interact. energy: 0.999 local terms energy: -663.829003 where: bonds (distance) C4'-P energy: -132.094 bonds (distance) P-C4' energy: -133.645 flat angles C4'-P-C4' energy: -140.002 flat angles P-C4'-P energy: -104.130 tors. eta vs tors. theta energy: -153.958 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: 5, replica: 3 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1887.541910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.541910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.541910 (E_RNA) where: Base-Base interactions energy: -1250.269 where: short stacking energy: -570.164 Base-Backbone interact. energy: -0.782 local terms energy: -636.490538 where: bonds (distance) C4'-P energy: -120.576 bonds (distance) P-C4' energy: -140.691 flat angles C4'-P-C4' energy: -153.151 flat angles P-C4'-P energy: -70.846 tors. eta vs tors. theta energy: -151.226 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: 1 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1766.420423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.420423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.420423 (E_RNA) where: Base-Base interactions energy: -1154.262 where: short stacking energy: -512.576 Base-Backbone interact. energy: -4.851 local terms energy: -607.307413 where: bonds (distance) C4'-P energy: -143.993 bonds (distance) P-C4' energy: -145.856 flat angles C4'-P-C4' energy: -129.654 flat angles P-C4'-P energy: -76.047 tors. eta vs tors. theta energy: -111.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1497.861485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.861485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.861485 (E_RNA) where: Base-Base interactions energy: -960.029 where: short stacking energy: -462.518 Base-Backbone interact. energy: -2.083 local terms energy: -535.749963 where: bonds (distance) C4'-P energy: -109.597 bonds (distance) P-C4' energy: -118.757 flat angles C4'-P-C4' energy: -121.017 flat angles P-C4'-P energy: -98.908 tors. eta vs tors. theta energy: -87.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1174.560732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.560732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.560732 (E_RNA) where: Base-Base interactions energy: -699.734 where: short stacking energy: -315.991 Base-Backbone interact. energy: -2.072 local terms energy: -472.755378 where: bonds (distance) C4'-P energy: -115.363 bonds (distance) P-C4' energy: -126.447 flat angles C4'-P-C4' energy: -104.008 flat angles P-C4'-P energy: -78.688 tors. eta vs tors. theta energy: -48.249 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: 9, replica: 9 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -929.539980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.539980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.539980 (E_RNA) where: Base-Base interactions energy: -472.818 where: short stacking energy: -263.652 Base-Backbone interact. energy: -1.213 local terms energy: -455.509125 where: bonds (distance) C4'-P energy: -118.712 bonds (distance) P-C4' energy: -117.767 flat angles C4'-P-C4' energy: -116.416 flat angles P-C4'-P energy: -77.764 tors. eta vs tors. theta energy: -24.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -625.350715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.350715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.350715 (E_RNA) where: Base-Base interactions energy: -254.685 where: short stacking energy: -170.582 Base-Backbone interact. energy: -1.508 local terms energy: -369.157711 where: bonds (distance) C4'-P energy: -121.378 bonds (distance) P-C4' energy: -119.665 flat angles C4'-P-C4' energy: -96.437 flat angles P-C4'-P energy: -54.769 tors. eta vs tors. theta energy: 23.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2433.494734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.494734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.494734 (E_RNA) where: Base-Base interactions energy: -1660.444 where: short stacking energy: -690.913 Base-Backbone interact. energy: -2.538 local terms energy: -770.512689 where: bonds (distance) C4'-P energy: -155.761 bonds (distance) P-C4' energy: -152.426 flat angles C4'-P-C4' energy: -160.618 flat angles P-C4'-P energy: -113.825 tors. eta vs tors. theta energy: -187.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2407.983111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.983111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.983111 (E_RNA) where: Base-Base interactions energy: -1655.150 where: short stacking energy: -700.636 Base-Backbone interact. energy: -2.706 local terms energy: -750.127318 where: bonds (distance) C4'-P energy: -138.157 bonds (distance) P-C4' energy: -143.130 flat angles C4'-P-C4' energy: -167.355 flat angles P-C4'-P energy: -118.496 tors. eta vs tors. theta energy: -182.990 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: 6 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2135.259204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.259204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.259204 (E_RNA) where: Base-Base interactions energy: -1452.471 where: short stacking energy: -614.214 Base-Backbone interact. energy: -3.513 local terms energy: -679.275553 where: bonds (distance) C4'-P energy: -130.785 bonds (distance) P-C4' energy: -146.809 flat angles C4'-P-C4' energy: -149.371 flat angles P-C4'-P energy: -101.709 tors. eta vs tors. theta energy: -150.601 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: 8 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2051.017690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.017690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.017690 (E_RNA) where: Base-Base interactions energy: -1372.704 where: short stacking energy: -580.129 Base-Backbone interact. energy: -1.005 local terms energy: -677.308112 where: bonds (distance) C4'-P energy: -125.188 bonds (distance) P-C4' energy: -149.924 flat angles C4'-P-C4' energy: -159.620 flat angles P-C4'-P energy: -82.766 tors. eta vs tors. theta energy: -159.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1938.225473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.225473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.225473 (E_RNA) where: Base-Base interactions energy: -1311.240 where: short stacking energy: -555.127 Base-Backbone interact. energy: -0.511 local terms energy: -626.474779 where: bonds (distance) C4'-P energy: -113.181 bonds (distance) P-C4' energy: -142.803 flat angles C4'-P-C4' energy: -143.654 flat angles P-C4'-P energy: -94.584 tors. eta vs tors. theta energy: -132.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1685.101540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.101540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.101540 (E_RNA) where: Base-Base interactions energy: -1077.265 where: short stacking energy: -459.492 Base-Backbone interact. energy: -1.318 local terms energy: -606.519063 where: bonds (distance) C4'-P energy: -123.050 bonds (distance) P-C4' energy: -144.550 flat angles C4'-P-C4' energy: -145.501 flat angles P-C4'-P energy: -94.513 tors. eta vs tors. theta energy: -98.906 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: 7, replica: 7 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1485.455768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.455768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.455768 (E_RNA) where: Base-Base interactions energy: -914.881 where: short stacking energy: -439.011 Base-Backbone interact. energy: -2.227 local terms energy: -568.347287 where: bonds (distance) C4'-P energy: -124.721 bonds (distance) P-C4' energy: -144.623 flat angles C4'-P-C4' energy: -121.100 flat angles P-C4'-P energy: -91.475 tors. eta vs tors. theta energy: -86.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1252.251810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.251810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.251810 (E_RNA) where: Base-Base interactions energy: -747.401 where: short stacking energy: -351.135 Base-Backbone interact. energy: -1.108 local terms energy: -503.742910 where: bonds (distance) C4'-P energy: -124.008 bonds (distance) P-C4' energy: -126.130 flat angles C4'-P-C4' energy: -129.125 flat angles P-C4'-P energy: -56.988 tors. eta vs tors. theta energy: -67.491 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: 9 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -902.701289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.701289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.701289 (E_RNA) where: Base-Base interactions energy: -461.471 where: short stacking energy: -266.742 Base-Backbone interact. energy: 2.536 local terms energy: -443.766426 where: bonds (distance) C4'-P energy: -114.135 bonds (distance) P-C4' energy: -132.972 flat angles C4'-P-C4' energy: -124.246 flat angles P-C4'-P energy: -55.321 tors. eta vs tors. theta energy: -17.094 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: 10, replica: 10 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -656.470358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.470358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.470358 (E_RNA) where: Base-Base interactions energy: -281.856 where: short stacking energy: -151.108 Base-Backbone interact. energy: -0.217 local terms energy: -374.396598 where: bonds (distance) C4'-P energy: -114.573 bonds (distance) P-C4' energy: -134.192 flat angles C4'-P-C4' energy: -95.047 flat angles P-C4'-P energy: -54.789 tors. eta vs tors. theta energy: 24.205 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: 4 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2409.824572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.824572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.824572 (E_RNA) where: Base-Base interactions energy: -1660.781 where: short stacking energy: -690.416 Base-Backbone interact. energy: -3.642 local terms energy: -745.401758 where: bonds (distance) C4'-P energy: -142.033 bonds (distance) P-C4' energy: -149.946 flat angles C4'-P-C4' energy: -165.127 flat angles P-C4'-P energy: -104.944 tors. eta vs tors. theta energy: -183.351 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: 2 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2419.911371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.911371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.911371 (E_RNA) where: Base-Base interactions energy: -1645.688 where: short stacking energy: -688.182 Base-Backbone interact. energy: -4.544 local terms energy: -769.679058 where: bonds (distance) C4'-P energy: -146.194 bonds (distance) P-C4' energy: -154.601 flat angles C4'-P-C4' energy: -172.277 flat angles P-C4'-P energy: -108.332 tors. eta vs tors. theta energy: -188.276 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: 6 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2141.717938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.717938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.717938 (E_RNA) where: Base-Base interactions energy: -1442.098 where: short stacking energy: -624.366 Base-Backbone interact. energy: -1.700 local terms energy: -697.919724 where: bonds (distance) C4'-P energy: -135.521 bonds (distance) P-C4' energy: -155.836 flat angles C4'-P-C4' energy: -156.711 flat angles P-C4'-P energy: -96.326 tors. eta vs tors. theta energy: -153.525 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: 8 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2003.074220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.074220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.074220 (E_RNA) where: Base-Base interactions energy: -1338.355 where: short stacking energy: -612.628 Base-Backbone interact. energy: -3.069 local terms energy: -661.650428 where: bonds (distance) C4'-P energy: -135.988 bonds (distance) P-C4' energy: -130.997 flat angles C4'-P-C4' energy: -155.617 flat angles P-C4'-P energy: -96.909 tors. eta vs tors. theta energy: -142.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1932.382660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.382660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.382660 (E_RNA) where: Base-Base interactions energy: -1287.390 where: short stacking energy: -572.166 Base-Backbone interact. energy: 5.738 local terms energy: -650.730578 where: bonds (distance) C4'-P energy: -114.340 bonds (distance) P-C4' energy: -140.175 flat angles C4'-P-C4' energy: -149.177 flat angles P-C4'-P energy: -96.268 tors. eta vs tors. theta energy: -150.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1708.522620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.522620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.522620 (E_RNA) where: Base-Base interactions energy: -1110.249 where: short stacking energy: -507.463 Base-Backbone interact. energy: -1.329 local terms energy: -596.944206 where: bonds (distance) C4'-P energy: -122.659 bonds (distance) P-C4' energy: -134.672 flat angles C4'-P-C4' energy: -141.841 flat angles P-C4'-P energy: -86.443 tors. eta vs tors. theta energy: -111.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1450.605692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.605692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.605692 (E_RNA) where: Base-Base interactions energy: -931.442 where: short stacking energy: -435.974 Base-Backbone interact. energy: 3.292 local terms energy: -522.456278 where: bonds (distance) C4'-P energy: -124.930 bonds (distance) P-C4' energy: -113.037 flat angles C4'-P-C4' energy: -121.298 flat angles P-C4'-P energy: -80.517 tors. eta vs tors. theta energy: -82.675 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: 5 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1285.811251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.811251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.811251 (E_RNA) where: Base-Base interactions energy: -764.228 where: short stacking energy: -361.317 Base-Backbone interact. energy: -2.168 local terms energy: -519.415183 where: bonds (distance) C4'-P energy: -127.749 bonds (distance) P-C4' energy: -114.637 flat angles C4'-P-C4' energy: -144.656 flat angles P-C4'-P energy: -79.640 tors. eta vs tors. theta energy: -52.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -946.356571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.356571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.356571 (E_RNA) where: Base-Base interactions energy: -488.227 where: short stacking energy: -263.580 Base-Backbone interact. energy: -0.413 local terms energy: -457.717408 where: bonds (distance) C4'-P energy: -123.259 bonds (distance) P-C4' energy: -135.131 flat angles C4'-P-C4' energy: -123.152 flat angles P-C4'-P energy: -54.688 tors. eta vs tors. theta energy: -21.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -649.606186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.606186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.606186 (E_RNA) where: Base-Base interactions energy: -252.113 where: short stacking energy: -175.033 Base-Backbone interact. energy: -2.012 local terms energy: -395.481780 where: bonds (distance) C4'-P energy: -101.009 bonds (distance) P-C4' energy: -146.619 flat angles C4'-P-C4' energy: -99.989 flat angles P-C4'-P energy: -62.243 tors. eta vs tors. theta energy: 14.378 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: 4 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2445.722570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.722570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.722570 (E_RNA) where: Base-Base interactions energy: -1691.482 where: short stacking energy: -725.789 Base-Backbone interact. energy: -1.764 local terms energy: -752.475992 where: bonds (distance) C4'-P energy: -145.910 bonds (distance) P-C4' energy: -145.259 flat angles C4'-P-C4' energy: -159.837 flat angles P-C4'-P energy: -107.732 tors. eta vs tors. theta energy: -193.738 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: 2 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2395.688842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.688842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.688842 (E_RNA) where: Base-Base interactions energy: -1644.475 where: short stacking energy: -700.260 Base-Backbone interact. energy: -2.328 local terms energy: -748.885400 where: bonds (distance) C4'-P energy: -151.208 bonds (distance) P-C4' energy: -135.669 flat angles C4'-P-C4' energy: -164.922 flat angles P-C4'-P energy: -109.737 tors. eta vs tors. theta energy: -187.350 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: 3, replica: 8 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2163.657422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.657422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.657422 (E_RNA) where: Base-Base interactions energy: -1450.199 where: short stacking energy: -661.563 Base-Backbone interact. energy: 0.982 local terms energy: -714.440553 where: bonds (distance) C4'-P energy: -140.032 bonds (distance) P-C4' energy: -145.394 flat angles C4'-P-C4' energy: -159.026 flat angles P-C4'-P energy: -110.177 tors. eta vs tors. theta energy: -159.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2066.327194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.327194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.327194 (E_RNA) where: Base-Base interactions energy: -1397.369 where: short stacking energy: -584.936 Base-Backbone interact. energy: -3.307 local terms energy: -665.651813 where: bonds (distance) C4'-P energy: -138.364 bonds (distance) P-C4' energy: -141.686 flat angles C4'-P-C4' energy: -160.580 flat angles P-C4'-P energy: -88.554 tors. eta vs tors. theta energy: -136.468 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: 5, replica: 3 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1907.033463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.033463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.033463 (E_RNA) where: Base-Base interactions energy: -1242.220 where: short stacking energy: -568.090 Base-Backbone interact. energy: 0.014 local terms energy: -664.828121 where: bonds (distance) C4'-P energy: -119.777 bonds (distance) P-C4' energy: -134.331 flat angles C4'-P-C4' energy: -162.718 flat angles P-C4'-P energy: -100.766 tors. eta vs tors. theta energy: -147.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1709.241440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.241440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.241440 (E_RNA) where: Base-Base interactions energy: -1100.168 where: short stacking energy: -487.322 Base-Backbone interact. energy: -3.199 local terms energy: -605.873778 where: bonds (distance) C4'-P energy: -134.652 bonds (distance) P-C4' energy: -118.887 flat angles C4'-P-C4' energy: -143.966 flat angles P-C4'-P energy: -92.177 tors. eta vs tors. theta energy: -116.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1462.362033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.362033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.362033 (E_RNA) where: Base-Base interactions energy: -935.519 where: short stacking energy: -447.409 Base-Backbone interact. energy: 3.701 local terms energy: -530.544187 where: bonds (distance) C4'-P energy: -98.200 bonds (distance) P-C4' energy: -133.282 flat angles C4'-P-C4' energy: -119.517 flat angles P-C4'-P energy: -94.755 tors. eta vs tors. theta energy: -84.790 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: 5 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1270.637618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.637618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.637618 (E_RNA) where: Base-Base interactions energy: -777.761 where: short stacking energy: -378.745 Base-Backbone interact. energy: 1.367 local terms energy: -494.243234 where: bonds (distance) C4'-P energy: -117.146 bonds (distance) P-C4' energy: -144.908 flat angles C4'-P-C4' energy: -100.585 flat angles P-C4'-P energy: -68.231 tors. eta vs tors. theta energy: -63.373 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: 9 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -1022.363766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.363766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.363766 (E_RNA) where: Base-Base interactions energy: -565.819 where: short stacking energy: -283.245 Base-Backbone interact. energy: 6.292 local terms energy: -463.252795 where: bonds (distance) C4'-P energy: -93.598 bonds (distance) P-C4' energy: -139.994 flat angles C4'-P-C4' energy: -127.468 flat angles P-C4'-P energy: -65.737 tors. eta vs tors. theta energy: -36.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.417 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -689.533415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.533415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.533415 (E_RNA) where: Base-Base interactions energy: -300.602 where: short stacking energy: -193.510 Base-Backbone interact. energy: 3.011 local terms energy: -391.942152 where: bonds (distance) C4'-P energy: -107.240 bonds (distance) P-C4' energy: -119.413 flat angles C4'-P-C4' energy: -109.492 flat angles P-C4'-P energy: -59.008 tors. eta vs tors. theta energy: 3.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2435.276574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.276574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.276574 (E_RNA) where: Base-Base interactions energy: -1693.638 where: short stacking energy: -684.810 Base-Backbone interact. energy: -2.876 local terms energy: -738.763116 where: bonds (distance) C4'-P energy: -134.673 bonds (distance) P-C4' energy: -153.117 flat angles C4'-P-C4' energy: -168.407 flat angles P-C4'-P energy: -96.460 tors. eta vs tors. theta energy: -186.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2392.047515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.047515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.047515 (E_RNA) where: Base-Base interactions energy: -1645.118 where: short stacking energy: -681.720 Base-Backbone interact. energy: -0.480 local terms energy: -746.449395 where: bonds (distance) C4'-P energy: -133.193 bonds (distance) P-C4' energy: -164.954 flat angles C4'-P-C4' energy: -150.021 flat angles P-C4'-P energy: -115.890 tors. eta vs tors. theta energy: -182.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2140.223925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.223925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.223925 (E_RNA) where: Base-Base interactions energy: -1430.901 where: short stacking energy: -620.488 Base-Backbone interact. energy: -1.544 local terms energy: -707.779418 where: bonds (distance) C4'-P energy: -146.926 bonds (distance) P-C4' energy: -145.376 flat angles C4'-P-C4' energy: -157.589 flat angles P-C4'-P energy: -99.059 tors. eta vs tors. theta energy: -158.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2032.164554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.164554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.164554 (E_RNA) where: Base-Base interactions energy: -1391.344 where: short stacking energy: -593.135 Base-Backbone interact. energy: -1.592 local terms energy: -639.228551 where: bonds (distance) C4'-P energy: -128.254 bonds (distance) P-C4' energy: -116.984 flat angles C4'-P-C4' energy: -158.467 flat angles P-C4'-P energy: -96.030 tors. eta vs tors. theta energy: -139.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1921.367157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.367157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.367157 (E_RNA) where: Base-Base interactions energy: -1293.055 where: short stacking energy: -565.771 Base-Backbone interact. energy: 0.993 local terms energy: -629.304966 where: bonds (distance) C4'-P energy: -125.885 bonds (distance) P-C4' energy: -140.288 flat angles C4'-P-C4' energy: -144.725 flat angles P-C4'-P energy: -78.108 tors. eta vs tors. theta energy: -140.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1729.469225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.469225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.469225 (E_RNA) where: Base-Base interactions energy: -1134.688 where: short stacking energy: -512.041 Base-Backbone interact. energy: -4.730 local terms energy: -590.051111 where: bonds (distance) C4'-P energy: -133.601 bonds (distance) P-C4' energy: -120.141 flat angles C4'-P-C4' energy: -139.415 flat angles P-C4'-P energy: -80.021 tors. eta vs tors. theta energy: -116.872 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: 7 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1461.235247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.235247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.235247 (E_RNA) where: Base-Base interactions energy: -920.434 where: short stacking energy: -418.968 Base-Backbone interact. energy: 2.777 local terms energy: -543.578910 where: bonds (distance) C4'-P energy: -126.264 bonds (distance) P-C4' energy: -130.918 flat angles C4'-P-C4' energy: -130.228 flat angles P-C4'-P energy: -66.675 tors. eta vs tors. theta energy: -89.493 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: 8, replica: 5 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1260.777015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.777015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.777015 (E_RNA) where: Base-Base interactions energy: -723.532 where: short stacking energy: -344.711 Base-Backbone interact. energy: 4.909 local terms energy: -542.154272 where: bonds (distance) C4'-P energy: -135.087 bonds (distance) P-C4' energy: -139.100 flat angles C4'-P-C4' energy: -119.382 flat angles P-C4'-P energy: -77.423 tors. eta vs tors. theta energy: -71.162 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: 9 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -1015.967557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.967557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.967557 (E_RNA) where: Base-Base interactions energy: -571.848 where: short stacking energy: -296.623 Base-Backbone interact. energy: -2.782 local terms energy: -441.337535 where: bonds (distance) C4'-P energy: -115.861 bonds (distance) P-C4' energy: -113.480 flat angles C4'-P-C4' energy: -120.605 flat angles P-C4'-P energy: -57.536 tors. eta vs tors. theta energy: -33.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -677.873685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.873685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.873685 (E_RNA) where: Base-Base interactions energy: -335.160 where: short stacking energy: -228.465 Base-Backbone interact. energy: 3.507 local terms energy: -346.221004 where: bonds (distance) C4'-P energy: -109.372 bonds (distance) P-C4' energy: -105.224 flat angles C4'-P-C4' energy: -84.787 flat angles P-C4'-P energy: -56.730 tors. eta vs tors. theta energy: 9.891 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: 2 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2431.075509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.075509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.075509 (E_RNA) where: Base-Base interactions energy: -1663.608 where: short stacking energy: -701.051 Base-Backbone interact. energy: 2.397 local terms energy: -769.864433 where: bonds (distance) C4'-P energy: -142.478 bonds (distance) P-C4' energy: -152.356 flat angles C4'-P-C4' energy: -168.246 flat angles P-C4'-P energy: -114.571 tors. eta vs tors. theta energy: -192.213 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: 4 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2377.692946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.692946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.692946 (E_RNA) where: Base-Base interactions energy: -1643.769 where: short stacking energy: -675.727 Base-Backbone interact. energy: -1.077 local terms energy: -732.847096 where: bonds (distance) C4'-P energy: -153.275 bonds (distance) P-C4' energy: -145.559 flat angles C4'-P-C4' energy: -154.842 flat angles P-C4'-P energy: -104.153 tors. eta vs tors. theta energy: -175.018 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: 8 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2124.243731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.243731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.243731 (E_RNA) where: Base-Base interactions energy: -1428.101 where: short stacking energy: -638.632 Base-Backbone interact. energy: -2.285 local terms energy: -693.858036 where: bonds (distance) C4'-P energy: -143.540 bonds (distance) P-C4' energy: -147.003 flat angles C4'-P-C4' energy: -157.405 flat angles P-C4'-P energy: -90.586 tors. eta vs tors. theta energy: -155.324 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: 116 Temperature: 1.050000 Total energy: -2099.931723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.931723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.931723 (E_RNA) where: Base-Base interactions energy: -1432.691 where: short stacking energy: -612.247 Base-Backbone interact. energy: -1.648 local terms energy: -665.592321 where: bonds (distance) C4'-P energy: -120.596 bonds (distance) P-C4' energy: -148.270 flat angles C4'-P-C4' energy: -157.643 flat angles P-C4'-P energy: -91.909 tors. eta vs tors. theta energy: -147.174 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: 5, replica: 3 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1926.448012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.448012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.448012 (E_RNA) where: Base-Base interactions energy: -1264.945 where: short stacking energy: -571.800 Base-Backbone interact. energy: -1.484 local terms energy: -660.018739 where: bonds (distance) C4'-P energy: -120.519 bonds (distance) P-C4' energy: -130.030 flat angles C4'-P-C4' energy: -149.914 flat angles P-C4'-P energy: -112.698 tors. eta vs tors. theta energy: -146.858 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: 6, replica: 1 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1791.498583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.498583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.498583 (E_RNA) where: Base-Base interactions energy: -1155.858 where: short stacking energy: -517.260 Base-Backbone interact. energy: -3.887 local terms energy: -631.752886 where: bonds (distance) C4'-P energy: -129.257 bonds (distance) P-C4' energy: -125.474 flat angles C4'-P-C4' energy: -152.829 flat angles P-C4'-P energy: -94.120 tors. eta vs tors. theta energy: -130.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1452.432460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.432460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.432460 (E_RNA) where: Base-Base interactions energy: -908.075 where: short stacking energy: -422.958 Base-Backbone interact. energy: -1.730 local terms energy: -542.627784 where: bonds (distance) C4'-P energy: -125.091 bonds (distance) P-C4' energy: -121.282 flat angles C4'-P-C4' energy: -137.303 flat angles P-C4'-P energy: -73.449 tors. eta vs tors. theta energy: -85.503 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: 8, replica: 5 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1333.932933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.932933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.932933 (E_RNA) where: Base-Base interactions energy: -809.122 where: short stacking energy: -371.786 Base-Backbone interact. energy: -1.200 local terms energy: -523.611095 where: bonds (distance) C4'-P energy: -113.981 bonds (distance) P-C4' energy: -126.153 flat angles C4'-P-C4' energy: -126.668 flat angles P-C4'-P energy: -83.328 tors. eta vs tors. theta energy: -73.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -975.334953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.334953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.334953 (E_RNA) where: Base-Base interactions energy: -555.063 where: short stacking energy: -292.316 Base-Backbone interact. energy: 1.664 local terms energy: -421.936122 where: bonds (distance) C4'-P energy: -98.480 bonds (distance) P-C4' energy: -136.851 flat angles C4'-P-C4' energy: -108.798 flat angles P-C4'-P energy: -60.078 tors. eta vs tors. theta energy: -17.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -716.300344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.300344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.300344 (E_RNA) where: Base-Base interactions energy: -314.220 where: short stacking energy: -200.351 Base-Backbone interact. energy: -0.992 local terms energy: -401.088590 where: bonds (distance) C4'-P energy: -124.577 bonds (distance) P-C4' energy: -111.464 flat angles C4'-P-C4' energy: -103.541 flat angles P-C4'-P energy: -77.262 tors. eta vs tors. theta energy: 15.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2457.444433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.444433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.444433 (E_RNA) where: Base-Base interactions energy: -1680.702 where: short stacking energy: -734.275 Base-Backbone interact. energy: -0.096 local terms energy: -776.646464 where: bonds (distance) C4'-P energy: -137.510 bonds (distance) P-C4' energy: -162.457 flat angles C4'-P-C4' energy: -166.880 flat angles P-C4'-P energy: -103.399 tors. eta vs tors. theta energy: -206.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2406.248838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.248838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.248838 (E_RNA) where: Base-Base interactions energy: -1678.152 where: short stacking energy: -698.855 Base-Backbone interact. energy: 3.837 local terms energy: -731.933653 where: bonds (distance) C4'-P energy: -135.530 bonds (distance) P-C4' energy: -141.517 flat angles C4'-P-C4' energy: -154.333 flat angles P-C4'-P energy: -114.698 tors. eta vs tors. theta energy: -185.855 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: 8 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2156.668873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.668873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.668873 (E_RNA) where: Base-Base interactions energy: -1435.411 where: short stacking energy: -652.435 Base-Backbone interact. energy: -2.662 local terms energy: -718.595635 where: bonds (distance) C4'-P energy: -131.113 bonds (distance) P-C4' energy: -164.176 flat angles C4'-P-C4' energy: -149.042 flat angles P-C4'-P energy: -103.935 tors. eta vs tors. theta energy: -170.330 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: 4, replica: 6 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2060.842506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.842506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.842506 (E_RNA) where: Base-Base interactions energy: -1409.733 where: short stacking energy: -598.592 Base-Backbone interact. energy: -3.437 local terms energy: -647.673195 where: bonds (distance) C4'-P energy: -103.195 bonds (distance) P-C4' energy: -139.498 flat angles C4'-P-C4' energy: -149.986 flat angles P-C4'-P energy: -105.002 tors. eta vs tors. theta energy: -149.991 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: 3 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1897.708699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.708699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.708699 (E_RNA) where: Base-Base interactions energy: -1283.613 where: short stacking energy: -528.524 Base-Backbone interact. energy: -1.678 local terms energy: -612.417867 where: bonds (distance) C4'-P energy: -121.986 bonds (distance) P-C4' energy: -138.889 flat angles C4'-P-C4' energy: -134.444 flat angles P-C4'-P energy: -90.241 tors. eta vs tors. theta energy: -126.858 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: 6, replica: 1 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1792.806491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.806491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.806491 (E_RNA) where: Base-Base interactions energy: -1180.824 where: short stacking energy: -490.355 Base-Backbone interact. energy: -3.822 local terms energy: -608.161251 where: bonds (distance) C4'-P energy: -138.712 bonds (distance) P-C4' energy: -131.191 flat angles C4'-P-C4' energy: -146.102 flat angles P-C4'-P energy: -78.423 tors. eta vs tors. theta energy: -113.734 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: 7 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1500.244577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.244577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.244577 (E_RNA) where: Base-Base interactions energy: -958.430 where: short stacking energy: -445.113 Base-Backbone interact. energy: 1.699 local terms energy: -543.513666 where: bonds (distance) C4'-P energy: -116.383 bonds (distance) P-C4' energy: -133.031 flat angles C4'-P-C4' energy: -128.117 flat angles P-C4'-P energy: -71.384 tors. eta vs tors. theta energy: -94.599 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: 8, replica: 5 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1306.981089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.981089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.981089 (E_RNA) where: Base-Base interactions energy: -807.282 where: short stacking energy: -368.153 Base-Backbone interact. energy: -1.554 local terms energy: -498.145297 where: bonds (distance) C4'-P energy: -114.614 bonds (distance) P-C4' energy: -123.663 flat angles C4'-P-C4' energy: -125.012 flat angles P-C4'-P energy: -73.275 tors. eta vs tors. theta energy: -61.581 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: 9, replica: 9 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -1001.264835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.264835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.264835 (E_RNA) where: Base-Base interactions energy: -550.876 where: short stacking energy: -283.611 Base-Backbone interact. energy: 0.919 local terms energy: -451.308689 where: bonds (distance) C4'-P energy: -100.117 bonds (distance) P-C4' energy: -127.814 flat angles C4'-P-C4' energy: -122.536 flat angles P-C4'-P energy: -74.570 tors. eta vs tors. theta energy: -26.272 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: 10, replica: 10 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -634.718570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.718570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.718570 (E_RNA) where: Base-Base interactions energy: -264.371 where: short stacking energy: -161.803 Base-Backbone interact. energy: 2.274 local terms energy: -373.406927 where: bonds (distance) C4'-P energy: -101.819 bonds (distance) P-C4' energy: -139.877 flat angles C4'-P-C4' energy: -95.093 flat angles P-C4'-P energy: -59.242 tors. eta vs tors. theta energy: 22.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.785 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2443.659837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.659837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.659837 (E_RNA) where: Base-Base interactions energy: -1687.302 where: short stacking energy: -741.313 Base-Backbone interact. energy: -1.265 local terms energy: -755.093226 where: bonds (distance) C4'-P energy: -134.543 bonds (distance) P-C4' energy: -154.681 flat angles C4'-P-C4' energy: -160.736 flat angles P-C4'-P energy: -105.498 tors. eta vs tors. theta energy: -199.635 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: 118 Temperature: 0.950000 Total energy: -2390.545286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.545286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.545286 (E_RNA) where: Base-Base interactions energy: -1650.620 where: short stacking energy: -681.778 Base-Backbone interact. energy: -0.618 local terms energy: -739.307308 where: bonds (distance) C4'-P energy: -160.005 bonds (distance) P-C4' energy: -146.066 flat angles C4'-P-C4' energy: -159.169 flat angles P-C4'-P energy: -93.826 tors. eta vs tors. theta energy: -180.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2166.163678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.163678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.163678 (E_RNA) where: Base-Base interactions energy: -1469.488 where: short stacking energy: -640.466 Base-Backbone interact. energy: 4.719 local terms energy: -701.395089 where: bonds (distance) C4'-P energy: -142.560 bonds (distance) P-C4' energy: -137.440 flat angles C4'-P-C4' energy: -152.747 flat angles P-C4'-P energy: -107.401 tors. eta vs tors. theta energy: -161.248 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: 118 Temperature: 1.050000 Total energy: -2099.963249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.963249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.963249 (E_RNA) where: Base-Base interactions energy: -1424.317 where: short stacking energy: -601.086 Base-Backbone interact. energy: -2.320 local terms energy: -673.325608 where: bonds (distance) C4'-P energy: -133.208 bonds (distance) P-C4' energy: -144.055 flat angles C4'-P-C4' energy: -153.125 flat angles P-C4'-P energy: -92.720 tors. eta vs tors. theta energy: -150.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1908.658518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.658518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.658518 (E_RNA) where: Base-Base interactions energy: -1274.672 where: short stacking energy: -553.968 Base-Backbone interact. energy: -2.905 local terms energy: -631.081962 where: bonds (distance) C4'-P energy: -134.409 bonds (distance) P-C4' energy: -129.855 flat angles C4'-P-C4' energy: -148.331 flat angles P-C4'-P energy: -87.316 tors. eta vs tors. theta energy: -131.171 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: 6, replica: 1 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1817.224424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.224424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.224424 (E_RNA) where: Base-Base interactions energy: -1192.820 where: short stacking energy: -532.699 Base-Backbone interact. energy: -0.090 local terms energy: -624.314346 where: bonds (distance) C4'-P energy: -137.159 bonds (distance) P-C4' energy: -137.928 flat angles C4'-P-C4' energy: -140.357 flat angles P-C4'-P energy: -80.919 tors. eta vs tors. theta energy: -127.952 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: 7, replica: 7 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1593.645374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.645374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.645374 (E_RNA) where: Base-Base interactions energy: -1029.590 where: short stacking energy: -462.184 Base-Backbone interact. energy: -2.947 local terms energy: -561.108351 where: bonds (distance) C4'-P energy: -125.367 bonds (distance) P-C4' energy: -118.494 flat angles C4'-P-C4' energy: -129.084 flat angles P-C4'-P energy: -84.447 tors. eta vs tors. theta energy: -103.716 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: 5 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1243.027547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.027547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.027547 (E_RNA) where: Base-Base interactions energy: -748.815 where: short stacking energy: -390.201 Base-Backbone interact. energy: -1.913 local terms energy: -492.299841 where: bonds (distance) C4'-P energy: -109.801 bonds (distance) P-C4' energy: -119.251 flat angles C4'-P-C4' energy: -120.615 flat angles P-C4'-P energy: -81.463 tors. eta vs tors. theta energy: -61.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -925.920472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.920472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.920472 (E_RNA) where: Base-Base interactions energy: -493.077 where: short stacking energy: -252.686 Base-Backbone interact. energy: -2.123 local terms energy: -430.720293 where: bonds (distance) C4'-P energy: -116.078 bonds (distance) P-C4' energy: -133.567 flat angles C4'-P-C4' energy: -95.535 flat angles P-C4'-P energy: -76.748 tors. eta vs tors. theta energy: -8.792 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: 118 Temperature: 1.350000 Total energy: -672.613288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.613288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.613288 (E_RNA) where: Base-Base interactions energy: -312.966 where: short stacking energy: -209.765 Base-Backbone interact. energy: 4.880 local terms energy: -364.527159 where: bonds (distance) C4'-P energy: -109.532 bonds (distance) P-C4' energy: -95.617 flat angles C4'-P-C4' energy: -110.532 flat angles P-C4'-P energy: -68.090 tors. eta vs tors. theta energy: 19.244 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: 1, replica: 2 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2431.492655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.492655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.492655 (E_RNA) where: Base-Base interactions energy: -1646.233 where: short stacking energy: -706.495 Base-Backbone interact. energy: -3.495 local terms energy: -781.764257 where: bonds (distance) C4'-P energy: -165.630 bonds (distance) P-C4' energy: -154.773 flat angles C4'-P-C4' energy: -151.820 flat angles P-C4'-P energy: -98.484 tors. eta vs tors. theta energy: -211.058 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: 119 Temperature: 0.950000 Total energy: -2398.552423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.552423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.552423 (E_RNA) where: Base-Base interactions energy: -1658.392 where: short stacking energy: -697.950 Base-Backbone interact. energy: -1.085 local terms energy: -739.075139 where: bonds (distance) C4'-P energy: -136.469 bonds (distance) P-C4' energy: -152.787 flat angles C4'-P-C4' energy: -156.172 flat angles P-C4'-P energy: -100.284 tors. eta vs tors. theta energy: -193.363 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: 3, replica: 8 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2159.575056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.575056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.575056 (E_RNA) where: Base-Base interactions energy: -1454.369 where: short stacking energy: -627.087 Base-Backbone interact. energy: -3.880 local terms energy: -701.325820 where: bonds (distance) C4'-P energy: -145.438 bonds (distance) P-C4' energy: -142.978 flat angles C4'-P-C4' energy: -155.278 flat angles P-C4'-P energy: -85.949 tors. eta vs tors. theta energy: -171.681 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: 6 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2081.651561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.651561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.651561 (E_RNA) where: Base-Base interactions energy: -1404.674 where: short stacking energy: -578.860 Base-Backbone interact. energy: 0.368 local terms energy: -677.346537 where: bonds (distance) C4'-P energy: -142.078 bonds (distance) P-C4' energy: -135.386 flat angles C4'-P-C4' energy: -149.926 flat angles P-C4'-P energy: -100.202 tors. eta vs tors. theta energy: -149.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1880.346679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.346679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.346679 (E_RNA) where: Base-Base interactions energy: -1224.777 where: short stacking energy: -542.554 Base-Backbone interact. energy: -1.482 local terms energy: -654.086948 where: bonds (distance) C4'-P energy: -127.567 bonds (distance) P-C4' energy: -136.165 flat angles C4'-P-C4' energy: -153.736 flat angles P-C4'-P energy: -83.814 tors. eta vs tors. theta energy: -152.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1824.954121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.954121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.954121 (E_RNA) where: Base-Base interactions energy: -1205.493 where: short stacking energy: -552.829 Base-Backbone interact. energy: 0.645 local terms energy: -620.106239 where: bonds (distance) C4'-P energy: -121.277 bonds (distance) P-C4' energy: -103.569 flat angles C4'-P-C4' energy: -137.613 flat angles P-C4'-P energy: -111.336 tors. eta vs tors. theta energy: -146.310 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: 7 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1697.616756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.616756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.616756 (E_RNA) where: Base-Base interactions energy: -1111.976 where: short stacking energy: -503.520 Base-Backbone interact. energy: 2.729 local terms energy: -588.369659 where: bonds (distance) C4'-P energy: -118.565 bonds (distance) P-C4' energy: -135.574 flat angles C4'-P-C4' energy: -132.991 flat angles P-C4'-P energy: -81.834 tors. eta vs tors. theta energy: -119.406 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: 8, replica: 5 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1308.832197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.832197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.832197 (E_RNA) where: Base-Base interactions energy: -760.477 where: short stacking energy: -355.942 Base-Backbone interact. energy: 1.421 local terms energy: -549.776526 where: bonds (distance) C4'-P energy: -106.367 bonds (distance) P-C4' energy: -147.105 flat angles C4'-P-C4' energy: -124.291 flat angles P-C4'-P energy: -105.448 tors. eta vs tors. theta energy: -66.565 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: 9 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -959.070866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.070866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.070866 (E_RNA) where: Base-Base interactions energy: -533.745 where: short stacking energy: -298.409 Base-Backbone interact. energy: 0.725 local terms energy: -426.050755 where: bonds (distance) C4'-P energy: -133.219 bonds (distance) P-C4' energy: -120.812 flat angles C4'-P-C4' energy: -115.299 flat angles P-C4'-P energy: -36.735 tors. eta vs tors. theta energy: -19.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -654.276786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.276786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.276786 (E_RNA) where: Base-Base interactions energy: -271.878 where: short stacking energy: -219.043 Base-Backbone interact. energy: 4.602 local terms energy: -387.000949 where: bonds (distance) C4'-P energy: -116.569 bonds (distance) P-C4' energy: -133.452 flat angles C4'-P-C4' energy: -91.065 flat angles P-C4'-P energy: -57.129 tors. eta vs tors. theta energy: 11.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2460.502300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.502300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.502300 (E_RNA) where: Base-Base interactions energy: -1691.368 where: short stacking energy: -736.070 Base-Backbone interact. energy: 1.417 local terms energy: -770.551479 where: bonds (distance) C4'-P energy: -134.477 bonds (distance) P-C4' energy: -156.640 flat angles C4'-P-C4' energy: -164.653 flat angles P-C4'-P energy: -95.354 tors. eta vs tors. theta energy: -219.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2398.288937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.288937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.288937 (E_RNA) where: Base-Base interactions energy: -1660.480 where: short stacking energy: -674.130 Base-Backbone interact. energy: -2.532 local terms energy: -735.277054 where: bonds (distance) C4'-P energy: -153.827 bonds (distance) P-C4' energy: -126.914 flat angles C4'-P-C4' energy: -161.179 flat angles P-C4'-P energy: -98.153 tors. eta vs tors. theta energy: -195.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2149.949967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.949967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.949967 (E_RNA) where: Base-Base interactions energy: -1445.056 where: short stacking energy: -641.055 Base-Backbone interact. energy: 1.751 local terms energy: -706.645145 where: bonds (distance) C4'-P energy: -132.807 bonds (distance) P-C4' energy: -147.148 flat angles C4'-P-C4' energy: -155.875 flat angles P-C4'-P energy: -114.218 tors. eta vs tors. theta energy: -156.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2080.466265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.466265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.466265 (E_RNA) where: Base-Base interactions energy: -1414.211 where: short stacking energy: -588.488 Base-Backbone interact. energy: 0.928 local terms energy: -667.183020 where: bonds (distance) C4'-P energy: -126.278 bonds (distance) P-C4' energy: -151.211 flat angles C4'-P-C4' energy: -141.793 flat angles P-C4'-P energy: -108.956 tors. eta vs tors. theta energy: -138.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1953.424539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.424539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.424539 (E_RNA) where: Base-Base interactions energy: -1284.642 where: short stacking energy: -563.397 Base-Backbone interact. energy: -1.465 local terms energy: -667.317897 where: bonds (distance) C4'-P energy: -136.551 bonds (distance) P-C4' energy: -154.841 flat angles C4'-P-C4' energy: -146.068 flat angles P-C4'-P energy: -88.007 tors. eta vs tors. theta energy: -141.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1818.248043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.248043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.248043 (E_RNA) where: Base-Base interactions energy: -1186.258 where: short stacking energy: -532.500 Base-Backbone interact. energy: -3.830 local terms energy: -628.159707 where: bonds (distance) C4'-P energy: -133.562 bonds (distance) P-C4' energy: -145.059 flat angles C4'-P-C4' energy: -146.887 flat angles P-C4'-P energy: -83.772 tors. eta vs tors. theta energy: -118.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1710.611891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.611891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.611891 (E_RNA) where: Base-Base interactions energy: -1137.765 where: short stacking energy: -489.634 Base-Backbone interact. energy: -1.577 local terms energy: -571.270219 where: bonds (distance) C4'-P energy: -123.053 bonds (distance) P-C4' energy: -137.609 flat angles C4'-P-C4' energy: -118.182 flat angles P-C4'-P energy: -79.951 tors. eta vs tors. theta energy: -112.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1336.703180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.703180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.703180 (E_RNA) where: Base-Base interactions energy: -814.497 where: short stacking energy: -397.746 Base-Backbone interact. energy: 3.529 local terms energy: -525.735653 where: bonds (distance) C4'-P energy: -122.571 bonds (distance) P-C4' energy: -128.245 flat angles C4'-P-C4' energy: -136.735 flat angles P-C4'-P energy: -74.291 tors. eta vs tors. theta energy: -63.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -909.033772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.033772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.033772 (E_RNA) where: Base-Base interactions energy: -443.628 where: short stacking energy: -256.293 Base-Backbone interact. energy: 1.120 local terms energy: -466.525254 where: bonds (distance) C4'-P energy: -123.144 bonds (distance) P-C4' energy: -129.519 flat angles C4'-P-C4' energy: -117.037 flat angles P-C4'-P energy: -66.308 tors. eta vs tors. theta energy: -30.517 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: 120 Temperature: 1.350000 Total energy: -647.669372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.669372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.669372 (E_RNA) where: Base-Base interactions energy: -237.743 where: short stacking energy: -155.396 Base-Backbone interact. energy: 3.571 local terms energy: -413.497758 where: bonds (distance) C4'-P energy: -133.864 bonds (distance) P-C4' energy: -132.644 flat angles C4'-P-C4' energy: -108.263 flat angles P-C4'-P energy: -60.026 tors. eta vs tors. theta energy: 21.299 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: 1, replica: 2 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2466.976297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.976297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.976297 (E_RNA) where: Base-Base interactions energy: -1687.729 where: short stacking energy: -722.391 Base-Backbone interact. energy: -2.678 local terms energy: -776.570103 where: bonds (distance) C4'-P energy: -129.141 bonds (distance) P-C4' energy: -158.856 flat angles C4'-P-C4' energy: -167.585 flat angles P-C4'-P energy: -118.293 tors. eta vs tors. theta energy: -202.696 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: 121 Temperature: 0.950000 Total energy: -2399.542002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.542002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.542002 (E_RNA) where: Base-Base interactions energy: -1673.917 where: short stacking energy: -692.574 Base-Backbone interact. energy: -4.687 local terms energy: -720.938257 where: bonds (distance) C4'-P energy: -147.347 bonds (distance) P-C4' energy: -142.299 flat angles C4'-P-C4' energy: -158.907 flat angles P-C4'-P energy: -91.544 tors. eta vs tors. theta energy: -180.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2174.965448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.965448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.965448 (E_RNA) where: Base-Base interactions energy: -1504.253 where: short stacking energy: -647.987 Base-Backbone interact. energy: 5.553 local terms energy: -676.265396 where: bonds (distance) C4'-P energy: -134.704 bonds (distance) P-C4' energy: -137.679 flat angles C4'-P-C4' energy: -160.037 flat angles P-C4'-P energy: -95.892 tors. eta vs tors. theta energy: -147.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -2078.667743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.667743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.667743 (E_RNA) where: Base-Base interactions energy: -1403.730 where: short stacking energy: -617.797 Base-Backbone interact. energy: -0.341 local terms energy: -674.597298 where: bonds (distance) C4'-P energy: -142.197 bonds (distance) P-C4' energy: -137.115 flat angles C4'-P-C4' energy: -162.350 flat angles P-C4'-P energy: -85.204 tors. eta vs tors. theta energy: -147.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1958.966974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.966974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.966974 (E_RNA) where: Base-Base interactions energy: -1312.542 where: short stacking energy: -588.646 Base-Backbone interact. energy: -2.349 local terms energy: -644.075420 where: bonds (distance) C4'-P energy: -102.780 bonds (distance) P-C4' energy: -137.029 flat angles C4'-P-C4' energy: -143.077 flat angles P-C4'-P energy: -101.502 tors. eta vs tors. theta energy: -159.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1745.097984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.097984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.097984 (E_RNA) where: Base-Base interactions energy: -1146.939 where: short stacking energy: -506.967 Base-Backbone interact. energy: -1.071 local terms energy: -597.087825 where: bonds (distance) C4'-P energy: -125.024 bonds (distance) P-C4' energy: -137.219 flat angles C4'-P-C4' energy: -130.926 flat angles P-C4'-P energy: -84.562 tors. eta vs tors. theta energy: -119.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1643.357981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.357981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.357981 (E_RNA) where: Base-Base interactions energy: -1104.545 where: short stacking energy: -462.934 Base-Backbone interact. energy: 0.336 local terms energy: -539.149676 where: bonds (distance) C4'-P energy: -116.203 bonds (distance) P-C4' energy: -123.975 flat angles C4'-P-C4' energy: -123.890 flat angles P-C4'-P energy: -64.632 tors. eta vs tors. theta energy: -110.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1341.919415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.919415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.919415 (E_RNA) where: Base-Base interactions energy: -781.708 where: short stacking energy: -345.041 Base-Backbone interact. energy: -2.174 local terms energy: -558.037044 where: bonds (distance) C4'-P energy: -112.249 bonds (distance) P-C4' energy: -140.509 flat angles C4'-P-C4' energy: -119.353 flat angles P-C4'-P energy: -96.388 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: 9 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -923.935920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.935920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.935920 (E_RNA) where: Base-Base interactions energy: -514.872 where: short stacking energy: -275.537 Base-Backbone interact. energy: 1.789 local terms energy: -410.852498 where: bonds (distance) C4'-P energy: -103.797 bonds (distance) P-C4' energy: -125.153 flat angles C4'-P-C4' energy: -108.313 flat angles P-C4'-P energy: -55.103 tors. eta vs tors. theta energy: -18.487 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: 10 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -611.165909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.165909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.165909 (E_RNA) where: Base-Base interactions energy: -233.529 where: short stacking energy: -173.578 Base-Backbone interact. energy: -0.545 local terms energy: -377.091775 where: bonds (distance) C4'-P energy: -114.798 bonds (distance) P-C4' energy: -130.202 flat angles C4'-P-C4' energy: -87.515 flat angles P-C4'-P energy: -60.569 tors. eta vs tors. theta energy: 15.993 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: 2 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2450.608525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.608525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.608525 (E_RNA) where: Base-Base interactions energy: -1683.450 where: short stacking energy: -690.808 Base-Backbone interact. energy: 1.947 local terms energy: -769.106309 where: bonds (distance) C4'-P energy: -147.043 bonds (distance) P-C4' energy: -159.097 flat angles C4'-P-C4' energy: -164.179 flat angles P-C4'-P energy: -104.868 tors. eta vs tors. theta energy: -193.919 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: 4 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2418.607728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.607728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.607728 (E_RNA) where: Base-Base interactions energy: -1664.675 where: short stacking energy: -696.799 Base-Backbone interact. energy: -1.391 local terms energy: -752.542394 where: bonds (distance) C4'-P energy: -146.808 bonds (distance) P-C4' energy: -148.655 flat angles C4'-P-C4' energy: -156.192 flat angles P-C4'-P energy: -109.405 tors. eta vs tors. theta energy: -191.482 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: 8 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2163.062085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.062085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.062085 (E_RNA) where: Base-Base interactions energy: -1473.732 where: short stacking energy: -626.722 Base-Backbone interact. energy: 2.146 local terms energy: -691.475955 where: bonds (distance) C4'-P energy: -130.733 bonds (distance) P-C4' energy: -135.509 flat angles C4'-P-C4' energy: -165.445 flat angles P-C4'-P energy: -101.029 tors. eta vs tors. theta energy: -158.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2071.035429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.035429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.035429 (E_RNA) where: Base-Base interactions energy: -1395.609 where: short stacking energy: -590.532 Base-Backbone interact. energy: 0.216 local terms energy: -675.641896 where: bonds (distance) C4'-P energy: -118.732 bonds (distance) P-C4' energy: -140.449 flat angles C4'-P-C4' energy: -157.207 flat angles P-C4'-P energy: -96.380 tors. eta vs tors. theta energy: -162.874 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: 5, replica: 3 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1933.995717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.995717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.995717 (E_RNA) where: Base-Base interactions energy: -1288.398 where: short stacking energy: -547.881 Base-Backbone interact. energy: 3.194 local terms energy: -648.791528 where: bonds (distance) C4'-P energy: -137.149 bonds (distance) P-C4' energy: -133.625 flat angles C4'-P-C4' energy: -143.927 flat angles P-C4'-P energy: -88.458 tors. eta vs tors. theta energy: -145.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1802.449736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.449736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.449736 (E_RNA) where: Base-Base interactions energy: -1173.013 where: short stacking energy: -525.979 Base-Backbone interact. energy: -2.894 local terms energy: -626.543216 where: bonds (distance) C4'-P energy: -135.536 bonds (distance) P-C4' energy: -141.558 flat angles C4'-P-C4' energy: -146.868 flat angles P-C4'-P energy: -79.792 tors. eta vs tors. theta energy: -122.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1639.554204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.554204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.554204 (E_RNA) where: Base-Base interactions energy: -1082.802 where: short stacking energy: -484.230 Base-Backbone interact. energy: -2.941 local terms energy: -553.810531 where: bonds (distance) C4'-P energy: -121.080 bonds (distance) P-C4' energy: -116.191 flat angles C4'-P-C4' energy: -113.816 flat angles P-C4'-P energy: -94.563 tors. eta vs tors. theta energy: -108.160 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: 5 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1323.489825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.489825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.489825 (E_RNA) where: Base-Base interactions energy: -833.219 where: short stacking energy: -388.764 Base-Backbone interact. energy: -1.570 local terms energy: -488.701658 where: bonds (distance) C4'-P energy: -106.194 bonds (distance) P-C4' energy: -127.069 flat angles C4'-P-C4' energy: -127.204 flat angles P-C4'-P energy: -70.063 tors. eta vs tors. theta energy: -58.173 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: 9 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -946.289019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.289019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.289019 (E_RNA) where: Base-Base interactions energy: -525.537 where: short stacking energy: -286.074 Base-Backbone interact. energy: 3.528 local terms energy: -424.279968 where: bonds (distance) C4'-P energy: -103.552 bonds (distance) P-C4' energy: -124.929 flat angles C4'-P-C4' energy: -101.811 flat angles P-C4'-P energy: -65.341 tors. eta vs tors. theta energy: -28.647 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: 10 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -586.807480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.807480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.807480 (E_RNA) where: Base-Base interactions energy: -225.451 where: short stacking energy: -169.299 Base-Backbone interact. energy: 8.209 local terms energy: -369.565297 where: bonds (distance) C4'-P energy: -117.002 bonds (distance) P-C4' energy: -128.965 flat angles C4'-P-C4' energy: -100.145 flat angles P-C4'-P energy: -47.462 tors. eta vs tors. theta energy: 24.009 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: 2 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2482.201304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.201304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.201304 (E_RNA) where: Base-Base interactions energy: -1710.510 where: short stacking energy: -690.977 Base-Backbone interact. energy: -3.036 local terms energy: -768.654631 where: bonds (distance) C4'-P energy: -141.896 bonds (distance) P-C4' energy: -156.106 flat angles C4'-P-C4' energy: -159.319 flat angles P-C4'-P energy: -116.794 tors. eta vs tors. theta energy: -194.541 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: 4 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2409.731797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.731797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.731797 (E_RNA) where: Base-Base interactions energy: -1655.973 where: short stacking energy: -688.401 Base-Backbone interact. energy: -2.434 local terms energy: -751.324320 where: bonds (distance) C4'-P energy: -128.514 bonds (distance) P-C4' energy: -155.661 flat angles C4'-P-C4' energy: -174.842 flat angles P-C4'-P energy: -102.851 tors. eta vs tors. theta energy: -189.455 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: 123 Temperature: 1.000000 Total energy: -2155.501427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.501427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.501427 (E_RNA) where: Base-Base interactions energy: -1448.125 where: short stacking energy: -638.853 Base-Backbone interact. energy: -1.772 local terms energy: -705.604874 where: bonds (distance) C4'-P energy: -130.861 bonds (distance) P-C4' energy: -155.435 flat angles C4'-P-C4' energy: -150.797 flat angles P-C4'-P energy: -97.773 tors. eta vs tors. theta energy: -170.739 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: 4, replica: 6 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2069.250850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.250850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.250850 (E_RNA) where: Base-Base interactions energy: -1413.093 where: short stacking energy: -592.277 Base-Backbone interact. energy: -0.849 local terms energy: -655.308786 where: bonds (distance) C4'-P energy: -132.645 bonds (distance) P-C4' energy: -145.260 flat angles C4'-P-C4' energy: -142.261 flat angles P-C4'-P energy: -94.641 tors. eta vs tors. theta energy: -140.501 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: 3 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1983.443731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.443731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.443731 (E_RNA) where: Base-Base interactions energy: -1335.738 where: short stacking energy: -593.774 Base-Backbone interact. energy: 0.761 local terms energy: -648.466244 where: bonds (distance) C4'-P energy: -117.781 bonds (distance) P-C4' energy: -115.605 flat angles C4'-P-C4' energy: -160.116 flat angles P-C4'-P energy: -103.854 tors. eta vs tors. theta energy: -151.110 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: 1 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1782.166692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.166692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.166692 (E_RNA) where: Base-Base interactions energy: -1188.555 where: short stacking energy: -517.041 Base-Backbone interact. energy: -3.452 local terms energy: -590.159812 where: bonds (distance) C4'-P energy: -111.195 bonds (distance) P-C4' energy: -111.438 flat angles C4'-P-C4' energy: -144.069 flat angles P-C4'-P energy: -86.496 tors. eta vs tors. theta energy: -136.962 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: 7 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1684.395876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.395876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.395876 (E_RNA) where: Base-Base interactions energy: -1100.480 where: short stacking energy: -481.489 Base-Backbone interact. energy: -0.378 local terms energy: -583.537550 where: bonds (distance) C4'-P energy: -116.094 bonds (distance) P-C4' energy: -128.945 flat angles C4'-P-C4' energy: -140.418 flat angles P-C4'-P energy: -76.867 tors. eta vs tors. theta energy: -121.213 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: 5 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1421.556777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.556777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.556777 (E_RNA) where: Base-Base interactions energy: -868.316 where: short stacking energy: -433.337 Base-Backbone interact. energy: 1.577 local terms energy: -554.818236 where: bonds (distance) C4'-P energy: -116.321 bonds (distance) P-C4' energy: -122.094 flat angles C4'-P-C4' energy: -138.644 flat angles P-C4'-P energy: -90.117 tors. eta vs tors. theta energy: -87.642 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: 9 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -936.859016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.859016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.859016 (E_RNA) where: Base-Base interactions energy: -492.832 where: short stacking energy: -255.810 Base-Backbone interact. energy: 5.388 local terms energy: -449.414575 where: bonds (distance) C4'-P energy: -122.994 bonds (distance) P-C4' energy: -131.950 flat angles C4'-P-C4' energy: -119.847 flat angles P-C4'-P energy: -53.886 tors. eta vs tors. theta energy: -20.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -564.067584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.067584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.067584 (E_RNA) where: Base-Base interactions energy: -175.631 where: short stacking energy: -156.105 Base-Backbone interact. energy: -2.587 local terms energy: -386.535696 where: bonds (distance) C4'-P energy: -114.019 bonds (distance) P-C4' energy: -118.704 flat angles C4'-P-C4' energy: -104.319 flat angles P-C4'-P energy: -56.211 tors. eta vs tors. theta energy: 6.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.686 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2501.106414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.106414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.106414 (E_RNA) where: Base-Base interactions energy: -1745.717 where: short stacking energy: -734.359 Base-Backbone interact. energy: 6.613 local terms energy: -762.003137 where: bonds (distance) C4'-P energy: -144.470 bonds (distance) P-C4' energy: -127.320 flat angles C4'-P-C4' energy: -167.756 flat angles P-C4'-P energy: -117.259 tors. eta vs tors. theta energy: -205.199 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: 124 Temperature: 0.950000 Total energy: -2381.760966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.760966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.760966 (E_RNA) where: Base-Base interactions energy: -1654.511 where: short stacking energy: -663.277 Base-Backbone interact. energy: -1.814 local terms energy: -725.436492 where: bonds (distance) C4'-P energy: -125.613 bonds (distance) P-C4' energy: -156.464 flat angles C4'-P-C4' energy: -164.871 flat angles P-C4'-P energy: -110.771 tors. eta vs tors. theta energy: -167.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2141.508771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.508771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.508771 (E_RNA) where: Base-Base interactions energy: -1438.179 where: short stacking energy: -625.780 Base-Backbone interact. energy: -1.125 local terms energy: -702.205274 where: bonds (distance) C4'-P energy: -149.450 bonds (distance) P-C4' energy: -153.814 flat angles C4'-P-C4' energy: -150.188 flat angles P-C4'-P energy: -90.203 tors. eta vs tors. theta energy: -158.549 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: 8 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -2125.592335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.592335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.592335 (E_RNA) where: Base-Base interactions energy: -1425.211 where: short stacking energy: -634.537 Base-Backbone interact. energy: -1.118 local terms energy: -699.262727 where: bonds (distance) C4'-P energy: -132.769 bonds (distance) P-C4' energy: -143.871 flat angles C4'-P-C4' energy: -141.269 flat angles P-C4'-P energy: -97.783 tors. eta vs tors. theta energy: -183.570 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: 5, replica: 3 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1944.592067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.592067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.592067 (E_RNA) where: Base-Base interactions energy: -1271.487 where: short stacking energy: -579.236 Base-Backbone interact. energy: -0.059 local terms energy: -673.045755 where: bonds (distance) C4'-P energy: -127.193 bonds (distance) P-C4' energy: -135.431 flat angles C4'-P-C4' energy: -146.855 flat angles P-C4'-P energy: -89.716 tors. eta vs tors. theta energy: -173.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1782.604210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.604210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.604210 (E_RNA) where: Base-Base interactions energy: -1179.860 where: short stacking energy: -515.807 Base-Backbone interact. energy: -2.279 local terms energy: -600.823622 where: bonds (distance) C4'-P energy: -135.008 bonds (distance) P-C4' energy: -130.599 flat angles C4'-P-C4' energy: -119.490 flat angles P-C4'-P energy: -87.580 tors. eta vs tors. theta energy: -128.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.359 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1675.704005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.704005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.704005 (E_RNA) where: Base-Base interactions energy: -1103.497 where: short stacking energy: -464.303 Base-Backbone interact. energy: 1.874 local terms energy: -574.080660 where: bonds (distance) C4'-P energy: -135.403 bonds (distance) P-C4' energy: -131.049 flat angles C4'-P-C4' energy: -119.932 flat angles P-C4'-P energy: -85.652 tors. eta vs tors. theta energy: -102.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1428.232740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.232740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.232740 (E_RNA) where: Base-Base interactions energy: -909.785 where: short stacking energy: -425.617 Base-Backbone interact. energy: -2.685 local terms energy: -515.762721 where: bonds (distance) C4'-P energy: -93.119 bonds (distance) P-C4' energy: -135.874 flat angles C4'-P-C4' energy: -141.226 flat angles P-C4'-P energy: -70.221 tors. eta vs tors. theta energy: -75.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -897.436776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.436776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.436776 (E_RNA) where: Base-Base interactions energy: -483.787 where: short stacking energy: -238.260 Base-Backbone interact. energy: -3.606 local terms energy: -410.043601 where: bonds (distance) C4'-P energy: -110.119 bonds (distance) P-C4' energy: -113.418 flat angles C4'-P-C4' energy: -119.405 flat angles P-C4'-P energy: -73.336 tors. eta vs tors. theta energy: 6.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -571.840276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.840276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.840276 (E_RNA) where: Base-Base interactions energy: -196.333 where: short stacking energy: -142.497 Base-Backbone interact. energy: 0.742 local terms energy: -376.249166 where: bonds (distance) C4'-P energy: -117.151 bonds (distance) P-C4' energy: -135.269 flat angles C4'-P-C4' energy: -96.989 flat angles P-C4'-P energy: -50.101 tors. eta vs tors. theta energy: 23.262 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: 2 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2516.692956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.692956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.692956 (E_RNA) where: Base-Base interactions energy: -1738.813 where: short stacking energy: -732.355 Base-Backbone interact. energy: 2.458 local terms energy: -780.338258 where: bonds (distance) C4'-P energy: -157.334 bonds (distance) P-C4' energy: -151.272 flat angles C4'-P-C4' energy: -158.064 flat angles P-C4'-P energy: -108.468 tors. eta vs tors. theta energy: -205.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2408.812801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.812801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.812801 (E_RNA) where: Base-Base interactions energy: -1662.642 where: short stacking energy: -698.730 Base-Backbone interact. energy: -4.498 local terms energy: -741.672572 where: bonds (distance) C4'-P energy: -137.085 bonds (distance) P-C4' energy: -138.287 flat angles C4'-P-C4' energy: -161.164 flat angles P-C4'-P energy: -102.283 tors. eta vs tors. theta energy: -202.854 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: 3, replica: 6 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2170.797361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.797361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.797361 (E_RNA) where: Base-Base interactions energy: -1448.112 where: short stacking energy: -627.452 Base-Backbone interact. energy: -2.103 local terms energy: -720.581615 where: bonds (distance) C4'-P energy: -139.134 bonds (distance) P-C4' energy: -151.429 flat angles C4'-P-C4' energy: -170.138 flat angles P-C4'-P energy: -95.069 tors. eta vs tors. theta energy: -164.812 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: 8 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2094.214847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.214847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.214847 (E_RNA) where: Base-Base interactions energy: -1410.731 where: short stacking energy: -613.955 Base-Backbone interact. energy: -0.555 local terms energy: -682.929179 where: bonds (distance) C4'-P energy: -120.742 bonds (distance) P-C4' energy: -145.425 flat angles C4'-P-C4' energy: -162.269 flat angles P-C4'-P energy: -97.871 tors. eta vs tors. theta energy: -156.623 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: 5, replica: 3 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1966.576928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.576928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.576928 (E_RNA) where: Base-Base interactions energy: -1319.580 where: short stacking energy: -574.749 Base-Backbone interact. energy: 0.285 local terms energy: -647.281531 where: bonds (distance) C4'-P energy: -135.831 bonds (distance) P-C4' energy: -154.746 flat angles C4'-P-C4' energy: -126.811 flat angles P-C4'-P energy: -89.643 tors. eta vs tors. theta energy: -140.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1742.999267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.999267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.999267 (E_RNA) where: Base-Base interactions energy: -1179.617 where: short stacking energy: -536.400 Base-Backbone interact. energy: -1.644 local terms energy: -561.738334 where: bonds (distance) C4'-P energy: -106.514 bonds (distance) P-C4' energy: -117.959 flat angles C4'-P-C4' energy: -138.456 flat angles P-C4'-P energy: -72.726 tors. eta vs tors. theta energy: -126.084 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: 7, replica: 1 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1762.287876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.287876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.287876 (E_RNA) where: Base-Base interactions energy: -1139.279 where: short stacking energy: -490.199 Base-Backbone interact. energy: 0.088 local terms energy: -623.720408 where: bonds (distance) C4'-P energy: -126.064 bonds (distance) P-C4' energy: -126.370 flat angles C4'-P-C4' energy: -144.895 flat angles P-C4'-P energy: -93.361 tors. eta vs tors. theta energy: -133.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.624 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1319.275233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.275233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.275233 (E_RNA) where: Base-Base interactions energy: -826.596 where: short stacking energy: -377.241 Base-Backbone interact. energy: 2.671 local terms energy: -495.350524 where: bonds (distance) C4'-P energy: -122.667 bonds (distance) P-C4' energy: -126.685 flat angles C4'-P-C4' energy: -122.623 flat angles P-C4'-P energy: -65.488 tors. eta vs tors. theta energy: -57.886 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: 9 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -998.741097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.741097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.741097 (E_RNA) where: Base-Base interactions energy: -556.944 where: short stacking energy: -309.214 Base-Backbone interact. energy: -0.884 local terms energy: -440.912444 where: bonds (distance) C4'-P energy: -112.148 bonds (distance) P-C4' energy: -123.141 flat angles C4'-P-C4' energy: -106.294 flat angles P-C4'-P energy: -77.749 tors. eta vs tors. theta energy: -21.581 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: 10 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -590.684143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.684143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.684143 (E_RNA) where: Base-Base interactions energy: -218.420 where: short stacking energy: -149.643 Base-Backbone interact. energy: 1.345 local terms energy: -373.609587 where: bonds (distance) C4'-P energy: -112.336 bonds (distance) P-C4' energy: -122.597 flat angles C4'-P-C4' energy: -105.766 flat angles P-C4'-P energy: -65.421 tors. eta vs tors. theta energy: 32.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2543.684936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.684936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.684936 (E_RNA) where: Base-Base interactions energy: -1749.757 where: short stacking energy: -732.960 Base-Backbone interact. energy: 5.089 local terms energy: -799.016634 where: bonds (distance) C4'-P energy: -143.465 bonds (distance) P-C4' energy: -154.520 flat angles C4'-P-C4' energy: -171.019 flat angles P-C4'-P energy: -116.509 tors. eta vs tors. theta energy: -213.504 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: 126 Temperature: 0.950000 Total energy: -2407.174873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.174873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.174873 (E_RNA) where: Base-Base interactions energy: -1663.746 where: short stacking energy: -696.548 Base-Backbone interact. energy: -4.369 local terms energy: -739.059769 where: bonds (distance) C4'-P energy: -153.650 bonds (distance) P-C4' energy: -146.825 flat angles C4'-P-C4' energy: -165.314 flat angles P-C4'-P energy: -79.252 tors. eta vs tors. theta energy: -194.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2199.472582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.472582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.472582 (E_RNA) where: Base-Base interactions energy: -1484.188 where: short stacking energy: -620.731 Base-Backbone interact. energy: -1.872 local terms energy: -713.411827 where: bonds (distance) C4'-P energy: -132.778 bonds (distance) P-C4' energy: -143.075 flat angles C4'-P-C4' energy: -170.666 flat angles P-C4'-P energy: -98.118 tors. eta vs tors. theta energy: -168.774 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: 8 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2131.932383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.932383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.932383 (E_RNA) where: Base-Base interactions energy: -1437.970 where: short stacking energy: -643.977 Base-Backbone interact. energy: -1.301 local terms energy: -692.660869 where: bonds (distance) C4'-P energy: -121.283 bonds (distance) P-C4' energy: -139.563 flat angles C4'-P-C4' energy: -145.775 flat angles P-C4'-P energy: -103.365 tors. eta vs tors. theta energy: -182.676 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: 126 Temperature: 1.100000 Total energy: -1968.277860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.277860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.277860 (E_RNA) where: Base-Base interactions energy: -1301.793 where: short stacking energy: -567.208 Base-Backbone interact. energy: 1.709 local terms energy: -668.193121 where: bonds (distance) C4'-P energy: -129.284 bonds (distance) P-C4' energy: -130.140 flat angles C4'-P-C4' energy: -149.672 flat angles P-C4'-P energy: -98.900 tors. eta vs tors. theta energy: -160.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1815.995060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.995060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.995060 (E_RNA) where: Base-Base interactions energy: -1191.571 where: short stacking energy: -533.798 Base-Backbone interact. energy: 2.887 local terms energy: -627.312033 where: bonds (distance) C4'-P energy: -111.898 bonds (distance) P-C4' energy: -145.920 flat angles C4'-P-C4' energy: -147.630 flat angles P-C4'-P energy: -92.806 tors. eta vs tors. theta energy: -129.057 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: 1 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1720.915799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.915799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.915799 (E_RNA) where: Base-Base interactions energy: -1118.661 where: short stacking energy: -501.242 Base-Backbone interact. energy: -4.778 local terms energy: -597.476752 where: bonds (distance) C4'-P energy: -123.135 bonds (distance) P-C4' energy: -122.147 flat angles C4'-P-C4' energy: -130.660 flat angles P-C4'-P energy: -93.028 tors. eta vs tors. theta energy: -128.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1339.923903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.923903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.923903 (E_RNA) where: Base-Base interactions energy: -823.587 where: short stacking energy: -358.324 Base-Backbone interact. energy: 2.546 local terms energy: -518.882500 where: bonds (distance) C4'-P energy: -135.059 bonds (distance) P-C4' energy: -116.594 flat angles C4'-P-C4' energy: -126.814 flat angles P-C4'-P energy: -68.463 tors. eta vs tors. theta energy: -71.952 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: 9 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -950.335099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.335099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.335099 (E_RNA) where: Base-Base interactions energy: -502.780 where: short stacking energy: -272.259 Base-Backbone interact. energy: -0.382 local terms energy: -447.173351 where: bonds (distance) C4'-P energy: -126.039 bonds (distance) P-C4' energy: -138.684 flat angles C4'-P-C4' energy: -100.656 flat angles P-C4'-P energy: -62.160 tors. eta vs tors. theta energy: -19.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -583.062714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.062714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.062714 (E_RNA) where: Base-Base interactions energy: -222.340 where: short stacking energy: -147.120 Base-Backbone interact. energy: -0.483 local terms energy: -360.239793 where: bonds (distance) C4'-P energy: -110.759 bonds (distance) P-C4' energy: -140.164 flat angles C4'-P-C4' energy: -96.638 flat angles P-C4'-P energy: -42.812 tors. eta vs tors. theta energy: 30.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2545.596660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.596660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.596660 (E_RNA) where: Base-Base interactions energy: -1759.740 where: short stacking energy: -754.497 Base-Backbone interact. energy: 1.223 local terms energy: -787.079220 where: bonds (distance) C4'-P energy: -152.740 bonds (distance) P-C4' energy: -134.352 flat angles C4'-P-C4' energy: -174.136 flat angles P-C4'-P energy: -109.159 tors. eta vs tors. theta energy: -216.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2413.577248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.577248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.577248 (E_RNA) where: Base-Base interactions energy: -1661.587 where: short stacking energy: -690.597 Base-Backbone interact. energy: -5.001 local terms energy: -746.989281 where: bonds (distance) C4'-P energy: -152.444 bonds (distance) P-C4' energy: -144.797 flat angles C4'-P-C4' energy: -163.181 flat angles P-C4'-P energy: -96.822 tors. eta vs tors. theta energy: -189.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2171.523713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.523713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.523713 (E_RNA) where: Base-Base interactions energy: -1445.048 where: short stacking energy: -633.492 Base-Backbone interact. energy: 1.235 local terms energy: -727.710575 where: bonds (distance) C4'-P energy: -145.818 bonds (distance) P-C4' energy: -153.546 flat angles C4'-P-C4' energy: -164.047 flat angles P-C4'-P energy: -88.496 tors. eta vs tors. theta energy: -175.804 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: 4, replica: 3 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2031.907139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.907139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.907139 (E_RNA) where: Base-Base interactions energy: -1376.868 where: short stacking energy: -594.814 Base-Backbone interact. energy: -2.290 local terms energy: -652.748237 where: bonds (distance) C4'-P energy: -112.239 bonds (distance) P-C4' energy: -143.654 flat angles C4'-P-C4' energy: -139.565 flat angles P-C4'-P energy: -96.081 tors. eta vs tors. theta energy: -161.210 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: 127 Temperature: 1.100000 Total energy: -2021.370305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.370305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.370305 (E_RNA) where: Base-Base interactions energy: -1347.982 where: short stacking energy: -588.591 Base-Backbone interact. energy: -3.809 local terms energy: -669.579642 where: bonds (distance) C4'-P energy: -119.613 bonds (distance) P-C4' energy: -131.556 flat angles C4'-P-C4' energy: -160.345 flat angles P-C4'-P energy: -102.101 tors. eta vs tors. theta energy: -155.964 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: 6, replica: 1 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1760.679848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.679848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.679848 (E_RNA) where: Base-Base interactions energy: -1155.082 where: short stacking energy: -510.714 Base-Backbone interact. energy: 0.882 local terms energy: -606.479623 where: bonds (distance) C4'-P energy: -133.060 bonds (distance) P-C4' energy: -144.025 flat angles C4'-P-C4' energy: -137.634 flat angles P-C4'-P energy: -81.934 tors. eta vs tors. theta energy: -109.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1673.620834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.620834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.620834 (E_RNA) where: Base-Base interactions energy: -1078.680 where: short stacking energy: -490.754 Base-Backbone interact. energy: 1.878 local terms energy: -596.818747 where: bonds (distance) C4'-P energy: -125.780 bonds (distance) P-C4' energy: -123.582 flat angles C4'-P-C4' energy: -137.809 flat angles P-C4'-P energy: -84.047 tors. eta vs tors. theta energy: -125.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1392.205887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.205887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.205887 (E_RNA) where: Base-Base interactions energy: -885.671 where: short stacking energy: -409.320 Base-Backbone interact. energy: -1.736 local terms energy: -504.798775 where: bonds (distance) C4'-P energy: -121.518 bonds (distance) P-C4' energy: -127.062 flat angles C4'-P-C4' energy: -114.777 flat angles P-C4'-P energy: -71.170 tors. eta vs tors. theta energy: -70.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -1084.736075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.736075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.736075 (E_RNA) where: Base-Base interactions energy: -600.548 where: short stacking energy: -300.190 Base-Backbone interact. energy: 6.138 local terms energy: -490.326592 where: bonds (distance) C4'-P energy: -120.925 bonds (distance) P-C4' energy: -136.367 flat angles C4'-P-C4' energy: -122.691 flat angles P-C4'-P energy: -71.355 tors. eta vs tors. theta energy: -38.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -585.894987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.894987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.894987 (E_RNA) where: Base-Base interactions energy: -201.655 where: short stacking energy: -140.773 Base-Backbone interact. energy: 4.414 local terms energy: -388.654234 where: bonds (distance) C4'-P energy: -114.447 bonds (distance) P-C4' energy: -126.962 flat angles C4'-P-C4' energy: -112.386 flat angles P-C4'-P energy: -69.488 tors. eta vs tors. theta energy: 34.629 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: 1, replica: 2 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2523.173971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.173971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.173971 (E_RNA) where: Base-Base interactions energy: -1726.248 where: short stacking energy: -730.549 Base-Backbone interact. energy: -4.920 local terms energy: -792.006103 where: bonds (distance) C4'-P energy: -145.098 bonds (distance) P-C4' energy: -155.016 flat angles C4'-P-C4' energy: -168.332 flat angles P-C4'-P energy: -115.837 tors. eta vs tors. theta energy: -207.723 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: 4 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2387.829307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.829307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.829307 (E_RNA) where: Base-Base interactions energy: -1652.027 where: short stacking energy: -686.419 Base-Backbone interact. energy: -0.929 local terms energy: -734.873464 where: bonds (distance) C4'-P energy: -130.795 bonds (distance) P-C4' energy: -153.892 flat angles C4'-P-C4' energy: -161.022 flat angles P-C4'-P energy: -104.065 tors. eta vs tors. theta energy: -185.100 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: 6 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2174.469586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.469586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.469586 (E_RNA) where: Base-Base interactions energy: -1454.993 where: short stacking energy: -641.024 Base-Backbone interact. energy: -1.098 local terms energy: -718.378180 where: bonds (distance) C4'-P energy: -137.712 bonds (distance) P-C4' energy: -152.965 flat angles C4'-P-C4' energy: -154.942 flat angles P-C4'-P energy: -109.177 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: 4, replica: 3 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2010.559919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.559919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.559919 (E_RNA) where: Base-Base interactions energy: -1354.246 where: short stacking energy: -629.109 Base-Backbone interact. energy: -3.112 local terms energy: -653.202373 where: bonds (distance) C4'-P energy: -132.381 bonds (distance) P-C4' energy: -136.172 flat angles C4'-P-C4' energy: -141.409 flat angles P-C4'-P energy: -72.841 tors. eta vs tors. theta energy: -170.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -2012.228209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.228209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.228209 (E_RNA) where: Base-Base interactions energy: -1310.228 where: short stacking energy: -545.111 Base-Backbone interact. energy: 3.827 local terms energy: -705.827910 where: bonds (distance) C4'-P energy: -140.456 bonds (distance) P-C4' energy: -146.816 flat angles C4'-P-C4' energy: -151.192 flat angles P-C4'-P energy: -97.049 tors. eta vs tors. theta energy: -170.315 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: 1 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1831.764360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.764360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.764360 (E_RNA) where: Base-Base interactions energy: -1189.269 where: short stacking energy: -523.474 Base-Backbone interact. energy: 1.930 local terms energy: -644.424940 where: bonds (distance) C4'-P energy: -134.074 bonds (distance) P-C4' energy: -137.902 flat angles C4'-P-C4' energy: -138.904 flat angles P-C4'-P energy: -108.950 tors. eta vs tors. theta energy: -124.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1648.912557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.912557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.912557 (E_RNA) where: Base-Base interactions energy: -1066.479 where: short stacking energy: -466.732 Base-Backbone interact. energy: 0.793 local terms energy: -583.226468 where: bonds (distance) C4'-P energy: -125.009 bonds (distance) P-C4' energy: -125.823 flat angles C4'-P-C4' energy: -147.079 flat angles P-C4'-P energy: -74.061 tors. eta vs tors. theta energy: -111.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1375.624556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.624556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.624556 (E_RNA) where: Base-Base interactions energy: -850.744 where: short stacking energy: -418.129 Base-Backbone interact. energy: -0.829 local terms energy: -524.052010 where: bonds (distance) C4'-P energy: -103.447 bonds (distance) P-C4' energy: -126.099 flat angles C4'-P-C4' energy: -109.636 flat angles P-C4'-P energy: -85.070 tors. eta vs tors. theta energy: -99.799 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: 9, replica: 9 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -1034.791251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.791251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.791251 (E_RNA) where: Base-Base interactions energy: -600.446 where: short stacking energy: -318.306 Base-Backbone interact. energy: -3.074 local terms energy: -431.271566 where: bonds (distance) C4'-P energy: -100.521 bonds (distance) P-C4' energy: -127.612 flat angles C4'-P-C4' energy: -120.114 flat angles P-C4'-P energy: -52.133 tors. eta vs tors. theta energy: -30.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -575.011288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.011288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.011288 (E_RNA) where: Base-Base interactions energy: -201.802 where: short stacking energy: -154.409 Base-Backbone interact. energy: 2.895 local terms energy: -376.627932 where: bonds (distance) C4'-P energy: -139.928 bonds (distance) P-C4' energy: -115.279 flat angles C4'-P-C4' energy: -101.372 flat angles P-C4'-P energy: -52.110 tors. eta vs tors. theta energy: 32.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.524 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2489.694489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.694489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.694489 (E_RNA) where: Base-Base interactions energy: -1709.193 where: short stacking energy: -740.931 Base-Backbone interact. energy: -6.454 local terms energy: -774.046845 where: bonds (distance) C4'-P energy: -146.604 bonds (distance) P-C4' energy: -141.392 flat angles C4'-P-C4' energy: -160.987 flat angles P-C4'-P energy: -119.732 tors. eta vs tors. theta energy: -205.332 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: 129 Temperature: 0.950000 Total energy: -2380.668592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.668592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.668592 (E_RNA) where: Base-Base interactions energy: -1644.054 where: short stacking energy: -654.034 Base-Backbone interact. energy: -2.562 local terms energy: -734.052502 where: bonds (distance) C4'-P energy: -138.323 bonds (distance) P-C4' energy: -151.456 flat angles C4'-P-C4' energy: -164.882 flat angles P-C4'-P energy: -111.113 tors. eta vs tors. theta energy: -168.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2189.535927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.535927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.535927 (E_RNA) where: Base-Base interactions energy: -1468.946 where: short stacking energy: -631.816 Base-Backbone interact. energy: -2.287 local terms energy: -718.302397 where: bonds (distance) C4'-P energy: -141.138 bonds (distance) P-C4' energy: -143.455 flat angles C4'-P-C4' energy: -158.278 flat angles P-C4'-P energy: -107.202 tors. eta vs tors. theta energy: -168.230 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: 8 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2095.766448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.766448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.766448 (E_RNA) where: Base-Base interactions energy: -1394.788 where: short stacking energy: -593.457 Base-Backbone interact. energy: -4.173 local terms energy: -696.805785 where: bonds (distance) C4'-P energy: -128.941 bonds (distance) P-C4' energy: -150.307 flat angles C4'-P-C4' energy: -144.518 flat angles P-C4'-P energy: -110.654 tors. eta vs tors. theta energy: -162.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -2005.809029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.809029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.809029 (E_RNA) where: Base-Base interactions energy: -1327.552 where: short stacking energy: -597.532 Base-Backbone interact. energy: 0.502 local terms energy: -678.759201 where: bonds (distance) C4'-P energy: -136.379 bonds (distance) P-C4' energy: -140.820 flat angles C4'-P-C4' energy: -140.429 flat angles P-C4'-P energy: -97.223 tors. eta vs tors. theta energy: -163.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1883.344615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.344615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.344615 (E_RNA) where: Base-Base interactions energy: -1248.725 where: short stacking energy: -531.574 Base-Backbone interact. energy: -2.171 local terms energy: -632.448746 where: bonds (distance) C4'-P energy: -141.113 bonds (distance) P-C4' energy: -140.043 flat angles C4'-P-C4' energy: -138.141 flat angles P-C4'-P energy: -90.074 tors. eta vs tors. theta energy: -123.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1612.169910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.169910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.169910 (E_RNA) where: Base-Base interactions energy: -1036.768 where: short stacking energy: -450.898 Base-Backbone interact. energy: 0.374 local terms energy: -575.776217 where: bonds (distance) C4'-P energy: -127.394 bonds (distance) P-C4' energy: -130.364 flat angles C4'-P-C4' energy: -136.126 flat angles P-C4'-P energy: -91.424 tors. eta vs tors. theta energy: -90.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1348.003007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.003007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.003007 (E_RNA) where: Base-Base interactions energy: -810.280 where: short stacking energy: -384.402 Base-Backbone interact. energy: -2.546 local terms energy: -535.177008 where: bonds (distance) C4'-P energy: -116.833 bonds (distance) P-C4' energy: -146.689 flat angles C4'-P-C4' energy: -128.776 flat angles P-C4'-P energy: -66.695 tors. eta vs tors. theta energy: -76.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -1040.719053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.719053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.719053 (E_RNA) where: Base-Base interactions energy: -564.676 where: short stacking energy: -278.087 Base-Backbone interact. energy: -2.240 local terms energy: -473.803791 where: bonds (distance) C4'-P energy: -123.100 bonds (distance) P-C4' energy: -127.934 flat angles C4'-P-C4' energy: -129.199 flat angles P-C4'-P energy: -56.713 tors. eta vs tors. theta energy: -36.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -614.205644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.205644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.205644 (E_RNA) where: Base-Base interactions energy: -255.641 where: short stacking energy: -174.844 Base-Backbone interact. energy: 3.546 local terms energy: -362.111218 where: bonds (distance) C4'-P energy: -99.516 bonds (distance) P-C4' energy: -122.814 flat angles C4'-P-C4' energy: -101.036 flat angles P-C4'-P energy: -62.045 tors. eta vs tors. theta energy: 23.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2489.157266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.157266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.157266 (E_RNA) where: Base-Base interactions energy: -1716.630 where: short stacking energy: -723.629 Base-Backbone interact. energy: -1.859 local terms energy: -770.667940 where: bonds (distance) C4'-P energy: -160.154 bonds (distance) P-C4' energy: -143.896 flat angles C4'-P-C4' energy: -165.040 flat angles P-C4'-P energy: -105.117 tors. eta vs tors. theta energy: -196.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2347.474668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.474668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.474668 (E_RNA) where: Base-Base interactions energy: -1644.726 where: short stacking energy: -650.034 Base-Backbone interact. energy: 1.036 local terms energy: -703.784800 where: bonds (distance) C4'-P energy: -136.226 bonds (distance) P-C4' energy: -141.795 flat angles C4'-P-C4' energy: -168.052 flat angles P-C4'-P energy: -91.677 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: 3, replica: 6 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2191.165329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.165329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.165329 (E_RNA) where: Base-Base interactions energy: -1491.678 where: short stacking energy: -634.720 Base-Backbone interact. energy: -1.346 local terms energy: -698.141191 where: bonds (distance) C4'-P energy: -135.683 bonds (distance) P-C4' energy: -142.085 flat angles C4'-P-C4' energy: -153.923 flat angles P-C4'-P energy: -98.406 tors. eta vs tors. theta energy: -168.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2094.776803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.776803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.776803 (E_RNA) where: Base-Base interactions energy: -1425.469 where: short stacking energy: -605.797 Base-Backbone interact. energy: -2.620 local terms energy: -666.688453 where: bonds (distance) C4'-P energy: -129.583 bonds (distance) P-C4' energy: -133.962 flat angles C4'-P-C4' energy: -161.431 flat angles P-C4'-P energy: -91.940 tors. eta vs tors. theta energy: -149.772 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: 3 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1945.243066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.243066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.243066 (E_RNA) where: Base-Base interactions energy: -1299.613 where: short stacking energy: -556.698 Base-Backbone interact. energy: -1.747 local terms energy: -643.883623 where: bonds (distance) C4'-P energy: -120.557 bonds (distance) P-C4' energy: -136.743 flat angles C4'-P-C4' energy: -149.367 flat angles P-C4'-P energy: -91.724 tors. eta vs tors. theta energy: -145.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1792.148031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.148031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.148031 (E_RNA) where: Base-Base interactions energy: -1199.016 where: short stacking energy: -527.668 Base-Backbone interact. energy: -2.435 local terms energy: -590.696993 where: bonds (distance) C4'-P energy: -113.874 bonds (distance) P-C4' energy: -122.969 flat angles C4'-P-C4' energy: -137.770 flat angles P-C4'-P energy: -96.920 tors. eta vs tors. theta energy: -119.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1620.606558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.606558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.606558 (E_RNA) where: Base-Base interactions energy: -1057.560 where: short stacking energy: -465.034 Base-Backbone interact. energy: -0.609 local terms energy: -562.437862 where: bonds (distance) C4'-P energy: -118.170 bonds (distance) P-C4' energy: -133.395 flat angles C4'-P-C4' energy: -128.336 flat angles P-C4'-P energy: -85.367 tors. eta vs tors. theta energy: -97.170 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: 5 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1285.471952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.471952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.471952 (E_RNA) where: Base-Base interactions energy: -791.921 where: short stacking energy: -356.942 Base-Backbone interact. energy: -1.046 local terms energy: -492.504656 where: bonds (distance) C4'-P energy: -138.769 bonds (distance) P-C4' energy: -126.733 flat angles C4'-P-C4' energy: -106.456 flat angles P-C4'-P energy: -66.832 tors. eta vs tors. theta energy: -53.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -1013.131879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.131879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.131879 (E_RNA) where: Base-Base interactions energy: -545.024 where: short stacking energy: -254.287 Base-Backbone interact. energy: 5.365 local terms energy: -473.473426 where: bonds (distance) C4'-P energy: -131.986 bonds (distance) P-C4' energy: -138.623 flat angles C4'-P-C4' energy: -123.660 flat angles P-C4'-P energy: -66.491 tors. eta vs tors. theta energy: -12.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -589.137822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.137822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.137822 (E_RNA) where: Base-Base interactions energy: -223.327 where: short stacking energy: -154.747 Base-Backbone interact. energy: 2.764 local terms energy: -368.574992 where: bonds (distance) C4'-P energy: -103.320 bonds (distance) P-C4' energy: -114.601 flat angles C4'-P-C4' energy: -117.729 flat angles P-C4'-P energy: -60.352 tors. eta vs tors. theta energy: 27.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2490.458879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.458879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.458879 (E_RNA) where: Base-Base interactions energy: -1739.620 where: short stacking energy: -722.222 Base-Backbone interact. energy: -2.979 local terms energy: -747.860150 where: bonds (distance) C4'-P energy: -143.968 bonds (distance) P-C4' energy: -146.621 flat angles C4'-P-C4' energy: -156.931 flat angles P-C4'-P energy: -107.172 tors. eta vs tors. theta energy: -193.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2367.811367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.811367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.811367 (E_RNA) where: Base-Base interactions energy: -1642.554 where: short stacking energy: -668.643 Base-Backbone interact. energy: -2.780 local terms energy: -722.477363 where: bonds (distance) C4'-P energy: -142.637 bonds (distance) P-C4' energy: -131.581 flat angles C4'-P-C4' energy: -154.149 flat angles P-C4'-P energy: -109.588 tors. eta vs tors. theta energy: -184.522 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: 3, replica: 6 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2187.023691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.023691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.023691 (E_RNA) where: Base-Base interactions energy: -1473.113 where: short stacking energy: -623.407 Base-Backbone interact. energy: -2.520 local terms energy: -711.390492 where: bonds (distance) C4'-P energy: -144.563 bonds (distance) P-C4' energy: -151.834 flat angles C4'-P-C4' energy: -166.766 flat angles P-C4'-P energy: -77.229 tors. eta vs tors. theta energy: -170.999 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: 8 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2054.428567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.428567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.428567 (E_RNA) where: Base-Base interactions energy: -1370.228 where: short stacking energy: -598.642 Base-Backbone interact. energy: -1.864 local terms energy: -682.336842 where: bonds (distance) C4'-P energy: -124.175 bonds (distance) P-C4' energy: -145.220 flat angles C4'-P-C4' energy: -150.045 flat angles P-C4'-P energy: -112.546 tors. eta vs tors. theta energy: -150.351 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: 5, replica: 3 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1939.531572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.531572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.531572 (E_RNA) where: Base-Base interactions energy: -1266.389 where: short stacking energy: -571.855 Base-Backbone interact. energy: -3.616 local terms energy: -669.526456 where: bonds (distance) C4'-P energy: -146.211 bonds (distance) P-C4' energy: -130.128 flat angles C4'-P-C4' energy: -155.833 flat angles P-C4'-P energy: -87.029 tors. eta vs tors. theta energy: -150.325 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: 1 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1754.524518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.524518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.524518 (E_RNA) where: Base-Base interactions energy: -1143.770 where: short stacking energy: -533.577 Base-Backbone interact. energy: -3.822 local terms energy: -606.933179 where: bonds (distance) C4'-P energy: -121.623 bonds (distance) P-C4' energy: -135.427 flat angles C4'-P-C4' energy: -138.566 flat angles P-C4'-P energy: -77.892 tors. eta vs tors. theta energy: -133.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1600.657355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.657355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.657355 (E_RNA) where: Base-Base interactions energy: -1051.467 where: short stacking energy: -473.987 Base-Backbone interact. energy: 3.271 local terms energy: -552.460855 where: bonds (distance) C4'-P energy: -116.387 bonds (distance) P-C4' energy: -111.244 flat angles C4'-P-C4' energy: -121.257 flat angles P-C4'-P energy: -91.902 tors. eta vs tors. theta energy: -111.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1304.737761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.737761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.737761 (E_RNA) where: Base-Base interactions energy: -807.049 where: short stacking energy: -376.653 Base-Backbone interact. energy: 4.672 local terms energy: -502.361088 where: bonds (distance) C4'-P energy: -130.092 bonds (distance) P-C4' energy: -127.776 flat angles C4'-P-C4' energy: -122.773 flat angles P-C4'-P energy: -69.912 tors. eta vs tors. theta energy: -51.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -1050.096629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.096629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.096629 (E_RNA) where: Base-Base interactions energy: -597.536 where: short stacking energy: -317.019 Base-Backbone interact. energy: -2.400 local terms energy: -450.160359 where: bonds (distance) C4'-P energy: -119.229 bonds (distance) P-C4' energy: -125.305 flat angles C4'-P-C4' energy: -101.498 flat angles P-C4'-P energy: -61.114 tors. eta vs tors. theta energy: -43.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -610.142511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.142511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.142511 (E_RNA) where: Base-Base interactions energy: -269.093 where: short stacking energy: -188.999 Base-Backbone interact. energy: -0.424 local terms energy: -340.625323 where: bonds (distance) C4'-P energy: -91.369 bonds (distance) P-C4' energy: -129.623 flat angles C4'-P-C4' energy: -100.631 flat angles P-C4'-P energy: -43.012 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: 1, replica: 2 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2537.938927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.938927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.938927 (E_RNA) where: Base-Base interactions energy: -1750.673 where: short stacking energy: -731.888 Base-Backbone interact. energy: -1.560 local terms energy: -785.706050 where: bonds (distance) C4'-P energy: -158.351 bonds (distance) P-C4' energy: -156.848 flat angles C4'-P-C4' energy: -162.523 flat angles P-C4'-P energy: -107.680 tors. eta vs tors. theta energy: -200.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2369.451045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.451045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.451045 (E_RNA) where: Base-Base interactions energy: -1619.256 where: short stacking energy: -699.688 Base-Backbone interact. energy: -2.463 local terms energy: -747.731348 where: bonds (distance) C4'-P energy: -142.444 bonds (distance) P-C4' energy: -155.090 flat angles C4'-P-C4' energy: -157.867 flat angles P-C4'-P energy: -102.935 tors. eta vs tors. theta energy: -189.396 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: 6 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2192.460997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.460997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.460997 (E_RNA) where: Base-Base interactions energy: -1495.554 where: short stacking energy: -653.387 Base-Backbone interact. energy: -0.902 local terms energy: -696.004651 where: bonds (distance) C4'-P energy: -139.005 bonds (distance) P-C4' energy: -136.589 flat angles C4'-P-C4' energy: -163.664 flat angles P-C4'-P energy: -88.323 tors. eta vs tors. theta energy: -168.423 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: 8 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2117.799879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.799879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.799879 (E_RNA) where: Base-Base interactions energy: -1415.875 where: short stacking energy: -628.278 Base-Backbone interact. energy: -3.330 local terms energy: -698.594722 where: bonds (distance) C4'-P energy: -133.822 bonds (distance) P-C4' energy: -142.123 flat angles C4'-P-C4' energy: -157.470 flat angles P-C4'-P energy: -93.484 tors. eta vs tors. theta energy: -171.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1920.015661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.015661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.015661 (E_RNA) where: Base-Base interactions energy: -1286.173 where: short stacking energy: -547.683 Base-Backbone interact. energy: -1.296 local terms energy: -632.546491 where: bonds (distance) C4'-P energy: -112.479 bonds (distance) P-C4' energy: -138.857 flat angles C4'-P-C4' energy: -133.446 flat angles P-C4'-P energy: -93.880 tors. eta vs tors. theta energy: -153.885 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: 1 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1719.334368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.334368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.334368 (E_RNA) where: Base-Base interactions energy: -1131.464 where: short stacking energy: -513.115 Base-Backbone interact. energy: 0.196 local terms energy: -588.065890 where: bonds (distance) C4'-P energy: -105.947 bonds (distance) P-C4' energy: -129.384 flat angles C4'-P-C4' energy: -151.785 flat angles P-C4'-P energy: -78.372 tors. eta vs tors. theta energy: -122.578 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: 7 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1688.378124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.378124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.378124 (E_RNA) where: Base-Base interactions energy: -1101.102 where: short stacking energy: -509.715 Base-Backbone interact. energy: -2.216 local terms energy: -585.060247 where: bonds (distance) C4'-P energy: -126.497 bonds (distance) P-C4' energy: -120.506 flat angles C4'-P-C4' energy: -127.094 flat angles P-C4'-P energy: -87.751 tors. eta vs tors. theta energy: -123.213 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: 5 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1357.618620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.618620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.618620 (E_RNA) where: Base-Base interactions energy: -842.466 where: short stacking energy: -349.158 Base-Backbone interact. energy: -2.288 local terms energy: -512.864339 where: bonds (distance) C4'-P energy: -122.751 bonds (distance) P-C4' energy: -141.994 flat angles C4'-P-C4' energy: -108.413 flat angles P-C4'-P energy: -76.977 tors. eta vs tors. theta energy: -62.729 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: 9 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -972.364307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.364307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.364307 (E_RNA) where: Base-Base interactions energy: -548.141 where: short stacking energy: -270.169 Base-Backbone interact. energy: -5.299 local terms energy: -418.924651 where: bonds (distance) C4'-P energy: -111.615 bonds (distance) P-C4' energy: -119.518 flat angles C4'-P-C4' energy: -109.842 flat angles P-C4'-P energy: -61.015 tors. eta vs tors. theta energy: -16.934 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: 132 Temperature: 1.350000 Total energy: -618.880126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.880126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.880126 (E_RNA) where: Base-Base interactions energy: -234.110 where: short stacking energy: -171.296 Base-Backbone interact. energy: 0.163 local terms energy: -384.933134 where: bonds (distance) C4'-P energy: -113.785 bonds (distance) P-C4' energy: -116.593 flat angles C4'-P-C4' energy: -102.069 flat angles P-C4'-P energy: -75.859 tors. eta vs tors. theta energy: 23.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2528.334658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.334658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.334658 (E_RNA) where: Base-Base interactions energy: -1738.537 where: short stacking energy: -713.748 Base-Backbone interact. energy: -2.921 local terms energy: -786.876634 where: bonds (distance) C4'-P energy: -156.908 bonds (distance) P-C4' energy: -142.117 flat angles C4'-P-C4' energy: -168.823 flat angles P-C4'-P energy: -109.992 tors. eta vs tors. theta energy: -209.037 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: 133 Temperature: 0.950000 Total energy: -2364.993849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.993849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.993849 (E_RNA) where: Base-Base interactions energy: -1653.323 where: short stacking energy: -676.068 Base-Backbone interact. energy: -1.629 local terms energy: -710.463219 where: bonds (distance) C4'-P energy: -156.173 bonds (distance) P-C4' energy: -141.139 flat angles C4'-P-C4' energy: -146.211 flat angles P-C4'-P energy: -98.946 tors. eta vs tors. theta energy: -167.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.421 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2161.602417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.602417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.602417 (E_RNA) where: Base-Base interactions energy: -1476.819 where: short stacking energy: -606.615 Base-Backbone interact. energy: 0.692 local terms energy: -685.475000 where: bonds (distance) C4'-P energy: -124.008 bonds (distance) P-C4' energy: -154.324 flat angles C4'-P-C4' energy: -157.608 flat angles P-C4'-P energy: -90.564 tors. eta vs tors. theta energy: -158.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2172.009529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.009529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.009529 (E_RNA) where: Base-Base interactions energy: -1451.599 where: short stacking energy: -630.948 Base-Backbone interact. energy: -3.264 local terms energy: -717.146483 where: bonds (distance) C4'-P energy: -149.857 bonds (distance) P-C4' energy: -139.944 flat angles C4'-P-C4' energy: -159.033 flat angles P-C4'-P energy: -102.041 tors. eta vs tors. theta energy: -166.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1913.938716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.938716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.938716 (E_RNA) where: Base-Base interactions energy: -1291.104 where: short stacking energy: -547.812 Base-Backbone interact. energy: -3.928 local terms energy: -618.905955 where: bonds (distance) C4'-P energy: -122.820 bonds (distance) P-C4' energy: -137.853 flat angles C4'-P-C4' energy: -140.357 flat angles P-C4'-P energy: -71.936 tors. eta vs tors. theta energy: -145.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1728.350201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.350201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.350201 (E_RNA) where: Base-Base interactions energy: -1140.147 where: short stacking energy: -496.729 Base-Backbone interact. energy: -0.576 local terms energy: -587.626768 where: bonds (distance) C4'-P energy: -131.506 bonds (distance) P-C4' energy: -126.722 flat angles C4'-P-C4' energy: -122.740 flat angles P-C4'-P energy: -85.304 tors. eta vs tors. theta energy: -121.355 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: 7, replica: 1 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1544.298386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.298386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.298386 (E_RNA) where: Base-Base interactions energy: -967.659 where: short stacking energy: -440.817 Base-Backbone interact. energy: -0.816 local terms energy: -575.823358 where: bonds (distance) C4'-P energy: -127.585 bonds (distance) P-C4' energy: -118.339 flat angles C4'-P-C4' energy: -133.540 flat angles P-C4'-P energy: -100.358 tors. eta vs tors. theta energy: -96.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1399.742210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.742210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.742210 (E_RNA) where: Base-Base interactions energy: -880.009 where: short stacking energy: -381.637 Base-Backbone interact. energy: 2.396 local terms energy: -522.129650 where: bonds (distance) C4'-P energy: -108.311 bonds (distance) P-C4' energy: -138.722 flat angles C4'-P-C4' energy: -126.819 flat angles P-C4'-P energy: -75.756 tors. eta vs tors. theta energy: -72.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -998.360130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.360130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.360130 (E_RNA) where: Base-Base interactions energy: -571.411 where: short stacking energy: -320.200 Base-Backbone interact. energy: 0.626 local terms energy: -427.574658 where: bonds (distance) C4'-P energy: -116.312 bonds (distance) P-C4' energy: -132.181 flat angles C4'-P-C4' energy: -102.030 flat angles P-C4'-P energy: -61.287 tors. eta vs tors. theta energy: -15.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -652.401436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.401436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.401436 (E_RNA) where: Base-Base interactions energy: -264.613 where: short stacking energy: -190.650 Base-Backbone interact. energy: -0.702 local terms energy: -387.085939 where: bonds (distance) C4'-P energy: -112.018 bonds (distance) P-C4' energy: -137.194 flat angles C4'-P-C4' energy: -98.039 flat angles P-C4'-P energy: -44.749 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: 1, replica: 2 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2519.555500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.555500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.555500 (E_RNA) where: Base-Base interactions energy: -1740.197 where: short stacking energy: -714.833 Base-Backbone interact. energy: -1.511 local terms energy: -777.847693 where: bonds (distance) C4'-P energy: -144.018 bonds (distance) P-C4' energy: -157.665 flat angles C4'-P-C4' energy: -174.395 flat angles P-C4'-P energy: -108.409 tors. eta vs tors. theta energy: -193.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2388.079267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.079267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.079267 (E_RNA) where: Base-Base interactions energy: -1668.935 where: short stacking energy: -677.968 Base-Backbone interact. energy: -3.009 local terms energy: -716.134846 where: bonds (distance) C4'-P energy: -139.472 bonds (distance) P-C4' energy: -132.457 flat angles C4'-P-C4' energy: -157.033 flat angles P-C4'-P energy: -98.966 tors. eta vs tors. theta energy: -188.207 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: 8 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2222.609915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.609915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.609915 (E_RNA) where: Base-Base interactions energy: -1498.622 where: short stacking energy: -659.991 Base-Backbone interact. energy: 0.899 local terms energy: -724.887450 where: bonds (distance) C4'-P energy: -146.778 bonds (distance) P-C4' energy: -145.651 flat angles C4'-P-C4' energy: -155.919 flat angles P-C4'-P energy: -95.772 tors. eta vs tors. theta energy: -180.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2073.982335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.982335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.982335 (E_RNA) where: Base-Base interactions energy: -1410.388 where: short stacking energy: -598.449 Base-Backbone interact. energy: -4.944 local terms energy: -658.650697 where: bonds (distance) C4'-P energy: -139.098 bonds (distance) P-C4' energy: -135.722 flat angles C4'-P-C4' energy: -136.865 flat angles P-C4'-P energy: -94.001 tors. eta vs tors. theta energy: -152.964 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: 3 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1932.236745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.236745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.236745 (E_RNA) where: Base-Base interactions energy: -1285.355 where: short stacking energy: -548.736 Base-Backbone interact. energy: -2.586 local terms energy: -644.295347 where: bonds (distance) C4'-P energy: -137.694 bonds (distance) P-C4' energy: -134.031 flat angles C4'-P-C4' energy: -146.617 flat angles P-C4'-P energy: -79.851 tors. eta vs tors. theta energy: -146.103 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: 7 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1712.095036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.095036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.095036 (E_RNA) where: Base-Base interactions energy: -1100.040 where: short stacking energy: -481.956 Base-Backbone interact. energy: 5.110 local terms energy: -617.165109 where: bonds (distance) C4'-P energy: -105.150 bonds (distance) P-C4' energy: -136.553 flat angles C4'-P-C4' energy: -150.981 flat angles P-C4'-P energy: -96.221 tors. eta vs tors. theta energy: -128.260 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: 7, replica: 1 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1588.362137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.362137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.362137 (E_RNA) where: Base-Base interactions energy: -1026.514 where: short stacking energy: -436.141 Base-Backbone interact. energy: -0.721 local terms energy: -561.128028 where: bonds (distance) C4'-P energy: -123.883 bonds (distance) P-C4' energy: -132.576 flat angles C4'-P-C4' energy: -134.780 flat angles P-C4'-P energy: -86.528 tors. eta vs tors. theta energy: -83.360 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: 5 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1403.580321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.580321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.580321 (E_RNA) where: Base-Base interactions energy: -872.424 where: short stacking energy: -434.624 Base-Backbone interact. energy: -0.132 local terms energy: -531.024073 where: bonds (distance) C4'-P energy: -117.032 bonds (distance) P-C4' energy: -125.422 flat angles C4'-P-C4' energy: -120.875 flat angles P-C4'-P energy: -74.078 tors. eta vs tors. theta energy: -93.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -991.732117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.732117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.732117 (E_RNA) where: Base-Base interactions energy: -583.663 where: short stacking energy: -323.245 Base-Backbone interact. energy: 5.358 local terms energy: -413.427373 where: bonds (distance) C4'-P energy: -116.797 bonds (distance) P-C4' energy: -115.449 flat angles C4'-P-C4' energy: -95.711 flat angles P-C4'-P energy: -47.542 tors. eta vs tors. theta energy: -37.928 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: 10, replica: 10 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -717.403662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.403662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.403662 (E_RNA) where: Base-Base interactions energy: -317.361 where: short stacking energy: -188.083 Base-Backbone interact. energy: 4.847 local terms energy: -404.889114 where: bonds (distance) C4'-P energy: -117.181 bonds (distance) P-C4' energy: -123.955 flat angles C4'-P-C4' energy: -98.933 flat angles P-C4'-P energy: -83.491 tors. eta vs tors. theta energy: 18.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2502.626386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.626386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.626386 (E_RNA) where: Base-Base interactions energy: -1724.106 where: short stacking energy: -705.722 Base-Backbone interact. energy: -1.661 local terms energy: -776.859830 where: bonds (distance) C4'-P energy: -151.339 bonds (distance) P-C4' energy: -149.539 flat angles C4'-P-C4' energy: -164.510 flat angles P-C4'-P energy: -113.182 tors. eta vs tors. theta energy: -198.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2415.396538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.396538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.396538 (E_RNA) where: Base-Base interactions energy: -1705.418 where: short stacking energy: -714.008 Base-Backbone interact. energy: 0.244 local terms energy: -710.222260 where: bonds (distance) C4'-P energy: -146.191 bonds (distance) P-C4' energy: -149.367 flat angles C4'-P-C4' energy: -145.770 flat angles P-C4'-P energy: -88.185 tors. eta vs tors. theta energy: -180.709 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: 8 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2209.080527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.080527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.080527 (E_RNA) where: Base-Base interactions energy: -1506.823 where: short stacking energy: -640.819 Base-Backbone interact. energy: -3.121 local terms energy: -699.136530 where: bonds (distance) C4'-P energy: -123.671 bonds (distance) P-C4' energy: -141.088 flat angles C4'-P-C4' energy: -159.101 flat angles P-C4'-P energy: -105.079 tors. eta vs tors. theta energy: -170.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2118.413174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.413174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.413174 (E_RNA) where: Base-Base interactions energy: -1452.987 where: short stacking energy: -605.214 Base-Backbone interact. energy: -2.403 local terms energy: -663.023835 where: bonds (distance) C4'-P energy: -123.975 bonds (distance) P-C4' energy: -133.752 flat angles C4'-P-C4' energy: -154.472 flat angles P-C4'-P energy: -97.372 tors. eta vs tors. theta energy: -153.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1904.082261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.082261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.082261 (E_RNA) where: Base-Base interactions energy: -1262.203 where: short stacking energy: -558.050 Base-Backbone interact. energy: -2.492 local terms energy: -639.387039 where: bonds (distance) C4'-P energy: -132.429 bonds (distance) P-C4' energy: -126.219 flat angles C4'-P-C4' energy: -151.986 flat angles P-C4'-P energy: -82.544 tors. eta vs tors. theta energy: -146.209 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: 7 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1710.308578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.308578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.308578 (E_RNA) where: Base-Base interactions energy: -1090.990 where: short stacking energy: -481.136 Base-Backbone interact. energy: 3.912 local terms energy: -623.230281 where: bonds (distance) C4'-P energy: -133.673 bonds (distance) P-C4' energy: -138.053 flat angles C4'-P-C4' energy: -147.634 flat angles P-C4'-P energy: -86.609 tors. eta vs tors. theta energy: -117.262 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: 1 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1512.484911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.484911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.484911 (E_RNA) where: Base-Base interactions energy: -950.021 where: short stacking energy: -439.437 Base-Backbone interact. energy: -1.405 local terms energy: -561.058200 where: bonds (distance) C4'-P energy: -121.379 bonds (distance) P-C4' energy: -142.156 flat angles C4'-P-C4' energy: -130.308 flat angles P-C4'-P energy: -66.980 tors. eta vs tors. theta energy: -100.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1330.101322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.101322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.101322 (E_RNA) where: Base-Base interactions energy: -826.411 where: short stacking energy: -396.242 Base-Backbone interact. energy: -2.482 local terms energy: -501.208585 where: bonds (distance) C4'-P energy: -98.131 bonds (distance) P-C4' energy: -132.708 flat angles C4'-P-C4' energy: -124.311 flat angles P-C4'-P energy: -76.402 tors. eta vs tors. theta energy: -69.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -947.458356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.458356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.458356 (E_RNA) where: Base-Base interactions energy: -492.564 where: short stacking energy: -264.450 Base-Backbone interact. energy: -1.101 local terms energy: -453.793025 where: bonds (distance) C4'-P energy: -119.118 bonds (distance) P-C4' energy: -132.467 flat angles C4'-P-C4' energy: -107.196 flat angles P-C4'-P energy: -70.478 tors. eta vs tors. theta energy: -24.535 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: 10 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -699.605558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.605558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.605558 (E_RNA) where: Base-Base interactions energy: -306.826 where: short stacking energy: -182.015 Base-Backbone interact. energy: -0.512 local terms energy: -392.267357 where: bonds (distance) C4'-P energy: -108.648 bonds (distance) P-C4' energy: -129.675 flat angles C4'-P-C4' energy: -108.753 flat angles P-C4'-P energy: -45.046 tors. eta vs tors. theta energy: -0.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2500.361794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.361794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.361794 (E_RNA) where: Base-Base interactions energy: -1741.757 where: short stacking energy: -720.584 Base-Backbone interact. energy: 0.923 local terms energy: -759.527655 where: bonds (distance) C4'-P energy: -148.074 bonds (distance) P-C4' energy: -160.497 flat angles C4'-P-C4' energy: -162.939 flat angles P-C4'-P energy: -94.517 tors. eta vs tors. theta energy: -193.501 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: 4 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2410.143061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.143061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.143061 (E_RNA) where: Base-Base interactions energy: -1678.009 where: short stacking energy: -708.933 Base-Backbone interact. energy: -1.795 local terms energy: -730.338987 where: bonds (distance) C4'-P energy: -143.155 bonds (distance) P-C4' energy: -146.582 flat angles C4'-P-C4' energy: -156.190 flat angles P-C4'-P energy: -94.765 tors. eta vs tors. theta energy: -189.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2240.274551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.274551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.274551 (E_RNA) where: Base-Base interactions energy: -1513.852 where: short stacking energy: -655.576 Base-Backbone interact. energy: -7.663 local terms energy: -718.759480 where: bonds (distance) C4'-P energy: -146.422 bonds (distance) P-C4' energy: -132.891 flat angles C4'-P-C4' energy: -161.360 flat angles P-C4'-P energy: -101.985 tors. eta vs tors. theta energy: -176.101 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: 6 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2161.163382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.163382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.163382 (E_RNA) where: Base-Base interactions energy: -1473.137 where: short stacking energy: -635.306 Base-Backbone interact. energy: -1.872 local terms energy: -686.154364 where: bonds (distance) C4'-P energy: -154.629 bonds (distance) P-C4' energy: -143.830 flat angles C4'-P-C4' energy: -148.834 flat angles P-C4'-P energy: -87.542 tors. eta vs tors. theta energy: -151.319 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: 3 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -2001.137690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.137690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.137690 (E_RNA) where: Base-Base interactions energy: -1334.494 where: short stacking energy: -588.249 Base-Backbone interact. energy: -0.963 local terms energy: -665.680699 where: bonds (distance) C4'-P energy: -134.019 bonds (distance) P-C4' energy: -137.348 flat angles C4'-P-C4' energy: -145.010 flat angles P-C4'-P energy: -94.548 tors. eta vs tors. theta energy: -154.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1727.073578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.073578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.073578 (E_RNA) where: Base-Base interactions energy: -1097.618 where: short stacking energy: -504.482 Base-Backbone interact. energy: -3.819 local terms energy: -625.635764 where: bonds (distance) C4'-P energy: -133.098 bonds (distance) P-C4' energy: -137.831 flat angles C4'-P-C4' energy: -139.965 flat angles P-C4'-P energy: -93.543 tors. eta vs tors. theta energy: -121.199 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: 1 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1488.902553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.902553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.902553 (E_RNA) where: Base-Base interactions energy: -928.507 where: short stacking energy: -422.205 Base-Backbone interact. energy: -2.397 local terms energy: -557.998703 where: bonds (distance) C4'-P energy: -125.048 bonds (distance) P-C4' energy: -124.474 flat angles C4'-P-C4' energy: -133.741 flat angles P-C4'-P energy: -81.911 tors. eta vs tors. theta energy: -92.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1399.196115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.196115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.196115 (E_RNA) where: Base-Base interactions energy: -875.122 where: short stacking energy: -412.395 Base-Backbone interact. energy: 4.221 local terms energy: -528.295034 where: bonds (distance) C4'-P energy: -120.136 bonds (distance) P-C4' energy: -124.523 flat angles C4'-P-C4' energy: -132.971 flat angles P-C4'-P energy: -77.585 tors. eta vs tors. theta energy: -73.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -1012.088567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.088567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.088567 (E_RNA) where: Base-Base interactions energy: -542.179 where: short stacking energy: -298.121 Base-Backbone interact. energy: -1.373 local terms energy: -468.536797 where: bonds (distance) C4'-P energy: -121.270 bonds (distance) P-C4' energy: -125.803 flat angles C4'-P-C4' energy: -118.195 flat angles P-C4'-P energy: -71.154 tors. eta vs tors. theta energy: -32.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -692.786452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.786452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.786452 (E_RNA) where: Base-Base interactions energy: -311.873 where: short stacking energy: -206.055 Base-Backbone interact. energy: -1.420 local terms energy: -379.493439 where: bonds (distance) C4'-P energy: -123.511 bonds (distance) P-C4' energy: -128.144 flat angles C4'-P-C4' energy: -93.485 flat angles P-C4'-P energy: -45.278 tors. eta vs tors. theta energy: 10.924 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: 1, replica: 2 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2486.429403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.429403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.429403 (E_RNA) where: Base-Base interactions energy: -1712.164 where: short stacking energy: -695.413 Base-Backbone interact. energy: 1.127 local terms energy: -775.392130 where: bonds (distance) C4'-P energy: -155.082 bonds (distance) P-C4' energy: -161.143 flat angles C4'-P-C4' energy: -163.287 flat angles P-C4'-P energy: -105.990 tors. eta vs tors. theta energy: -189.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2368.516998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.516998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.516998 (E_RNA) where: Base-Base interactions energy: -1627.737 where: short stacking energy: -669.729 Base-Backbone interact. energy: 2.060 local terms energy: -742.839703 where: bonds (distance) C4'-P energy: -152.393 bonds (distance) P-C4' energy: -152.107 flat angles C4'-P-C4' energy: -159.350 flat angles P-C4'-P energy: -107.026 tors. eta vs tors. theta energy: -171.964 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: 3, replica: 8 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2266.383148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.383148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.383148 (E_RNA) where: Base-Base interactions energy: -1525.255 where: short stacking energy: -661.514 Base-Backbone interact. energy: -2.816 local terms energy: -738.312078 where: bonds (distance) C4'-P energy: -145.901 bonds (distance) P-C4' energy: -136.614 flat angles C4'-P-C4' energy: -160.282 flat angles P-C4'-P energy: -112.504 tors. eta vs tors. theta energy: -183.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2148.883747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.883747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.883747 (E_RNA) where: Base-Base interactions energy: -1482.794 where: short stacking energy: -609.876 Base-Backbone interact. energy: 2.028 local terms energy: -668.116982 where: bonds (distance) C4'-P energy: -128.145 bonds (distance) P-C4' energy: -133.163 flat angles C4'-P-C4' energy: -149.546 flat angles P-C4'-P energy: -102.703 tors. eta vs tors. theta energy: -154.560 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: 3 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1980.864882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.864882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.864882 (E_RNA) where: Base-Base interactions energy: -1320.287 where: short stacking energy: -572.224 Base-Backbone interact. energy: -1.687 local terms energy: -658.890840 where: bonds (distance) C4'-P energy: -128.658 bonds (distance) P-C4' energy: -143.940 flat angles C4'-P-C4' energy: -148.661 flat angles P-C4'-P energy: -93.002 tors. eta vs tors. theta energy: -144.629 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: 6, replica: 7 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1739.603875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.603875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.603875 (E_RNA) where: Base-Base interactions energy: -1110.501 where: short stacking energy: -523.965 Base-Backbone interact. energy: -1.323 local terms energy: -627.780062 where: bonds (distance) C4'-P energy: -106.568 bonds (distance) P-C4' energy: -128.821 flat angles C4'-P-C4' energy: -158.806 flat angles P-C4'-P energy: -97.527 tors. eta vs tors. theta energy: -136.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1477.911295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.911295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.911295 (E_RNA) where: Base-Base interactions energy: -921.438 where: short stacking energy: -443.429 Base-Backbone interact. energy: 1.666 local terms energy: -558.138978 where: bonds (distance) C4'-P energy: -108.065 bonds (distance) P-C4' energy: -138.519 flat angles C4'-P-C4' energy: -137.286 flat angles P-C4'-P energy: -91.449 tors. eta vs tors. theta energy: -82.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1316.215218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.215218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.215218 (E_RNA) where: Base-Base interactions energy: -803.358 where: short stacking energy: -406.388 Base-Backbone interact. energy: -1.440 local terms energy: -511.417371 where: bonds (distance) C4'-P energy: -119.716 bonds (distance) P-C4' energy: -115.974 flat angles C4'-P-C4' energy: -131.723 flat angles P-C4'-P energy: -70.706 tors. eta vs tors. theta energy: -73.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -1024.101952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.101952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.101952 (E_RNA) where: Base-Base interactions energy: -585.332 where: short stacking energy: -276.878 Base-Backbone interact. energy: -0.716 local terms energy: -438.054224 where: bonds (distance) C4'-P energy: -112.643 bonds (distance) P-C4' energy: -119.561 flat angles C4'-P-C4' energy: -121.014 flat angles P-C4'-P energy: -54.744 tors. eta vs tors. theta energy: -30.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -674.122305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.122305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.122305 (E_RNA) where: Base-Base interactions energy: -284.119 where: short stacking energy: -198.181 Base-Backbone interact. energy: -1.444 local terms energy: -388.558917 where: bonds (distance) C4'-P energy: -142.110 bonds (distance) P-C4' energy: -122.016 flat angles C4'-P-C4' energy: -90.321 flat angles P-C4'-P energy: -47.930 tors. eta vs tors. theta energy: 13.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2492.311230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.311230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.311230 (E_RNA) where: Base-Base interactions energy: -1696.645 where: short stacking energy: -709.051 Base-Backbone interact. energy: -4.755 local terms energy: -790.911690 where: bonds (distance) C4'-P energy: -147.421 bonds (distance) P-C4' energy: -159.050 flat angles C4'-P-C4' energy: -170.762 flat angles P-C4'-P energy: -104.226 tors. eta vs tors. theta energy: -209.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2359.884401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.884401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.884401 (E_RNA) where: Base-Base interactions energy: -1627.486 where: short stacking energy: -657.894 Base-Backbone interact. energy: -4.863 local terms energy: -727.535964 where: bonds (distance) C4'-P energy: -138.046 bonds (distance) P-C4' energy: -152.211 flat angles C4'-P-C4' energy: -153.408 flat angles P-C4'-P energy: -107.198 tors. eta vs tors. theta energy: -176.673 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: 3, replica: 8 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2253.257953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.257953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.257953 (E_RNA) where: Base-Base interactions energy: -1510.928 where: short stacking energy: -651.557 Base-Backbone interact. energy: -4.526 local terms energy: -737.803773 where: bonds (distance) C4'-P energy: -137.367 bonds (distance) P-C4' energy: -154.178 flat angles C4'-P-C4' energy: -157.960 flat angles P-C4'-P energy: -110.860 tors. eta vs tors. theta energy: -177.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2148.932208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.932208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.932208 (E_RNA) where: Base-Base interactions energy: -1476.962 where: short stacking energy: -618.663 Base-Backbone interact. energy: -1.623 local terms energy: -670.347083 where: bonds (distance) C4'-P energy: -127.908 bonds (distance) P-C4' energy: -137.052 flat angles C4'-P-C4' energy: -142.040 flat angles P-C4'-P energy: -101.159 tors. eta vs tors. theta energy: -162.188 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: 5, replica: 3 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1956.241307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.241307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.241307 (E_RNA) where: Base-Base interactions energy: -1314.944 where: short stacking energy: -565.072 Base-Backbone interact. energy: -0.228 local terms energy: -641.068655 where: bonds (distance) C4'-P energy: -124.491 bonds (distance) P-C4' energy: -142.649 flat angles C4'-P-C4' energy: -139.812 flat angles P-C4'-P energy: -90.491 tors. eta vs tors. theta energy: -143.626 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: 7 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1741.937936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.937936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.937936 (E_RNA) where: Base-Base interactions energy: -1101.280 where: short stacking energy: -502.975 Base-Backbone interact. energy: -1.361 local terms energy: -639.296417 where: bonds (distance) C4'-P energy: -122.559 bonds (distance) P-C4' energy: -150.336 flat angles C4'-P-C4' energy: -142.970 flat angles P-C4'-P energy: -84.475 tors. eta vs tors. theta energy: -138.957 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: 7, replica: 1 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1467.461351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.461351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.461351 (E_RNA) where: Base-Base interactions energy: -893.236 where: short stacking energy: -398.166 Base-Backbone interact. energy: -3.245 local terms energy: -570.979986 where: bonds (distance) C4'-P energy: -129.044 bonds (distance) P-C4' energy: -134.189 flat angles C4'-P-C4' energy: -136.819 flat angles P-C4'-P energy: -89.149 tors. eta vs tors. theta energy: -81.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1248.590755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.590755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.590755 (E_RNA) where: Base-Base interactions energy: -732.778 where: short stacking energy: -334.981 Base-Backbone interact. energy: 1.141 local terms energy: -516.953214 where: bonds (distance) C4'-P energy: -115.061 bonds (distance) P-C4' energy: -134.307 flat angles C4'-P-C4' energy: -117.764 flat angles P-C4'-P energy: -85.622 tors. eta vs tors. theta energy: -64.199 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: 9 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -1006.184559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.184559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.184559 (E_RNA) where: Base-Base interactions energy: -596.232 where: short stacking energy: -301.798 Base-Backbone interact. energy: 5.158 local terms energy: -415.111433 where: bonds (distance) C4'-P energy: -119.382 bonds (distance) P-C4' energy: -112.365 flat angles C4'-P-C4' energy: -120.967 flat angles P-C4'-P energy: -43.881 tors. eta vs tors. theta energy: -18.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -699.504237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.504237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.504237 (E_RNA) where: Base-Base interactions energy: -341.629 where: short stacking energy: -225.014 Base-Backbone interact. energy: 2.576 local terms energy: -360.450881 where: bonds (distance) C4'-P energy: -124.356 bonds (distance) P-C4' energy: -103.718 flat angles C4'-P-C4' energy: -96.686 flat angles P-C4'-P energy: -54.443 tors. eta vs tors. theta energy: 18.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2524.809433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.809433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.809433 (E_RNA) where: Base-Base interactions energy: -1738.989 where: short stacking energy: -741.035 Base-Backbone interact. energy: -1.845 local terms energy: -783.975680 where: bonds (distance) C4'-P energy: -167.379 bonds (distance) P-C4' energy: -143.465 flat angles C4'-P-C4' energy: -153.457 flat angles P-C4'-P energy: -117.511 tors. eta vs tors. theta energy: -202.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2374.377800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.377800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.377800 (E_RNA) where: Base-Base interactions energy: -1655.767 where: short stacking energy: -689.265 Base-Backbone interact. energy: 1.216 local terms energy: -719.826713 where: bonds (distance) C4'-P energy: -129.028 bonds (distance) P-C4' energy: -130.647 flat angles C4'-P-C4' energy: -168.167 flat angles P-C4'-P energy: -96.234 tors. eta vs tors. theta energy: -195.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2252.569729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.569729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.569729 (E_RNA) where: Base-Base interactions energy: -1523.494 where: short stacking energy: -627.321 Base-Backbone interact. energy: -3.671 local terms energy: -725.404787 where: bonds (distance) C4'-P energy: -144.850 bonds (distance) P-C4' energy: -137.273 flat angles C4'-P-C4' energy: -157.493 flat angles P-C4'-P energy: -113.120 tors. eta vs tors. theta energy: -172.668 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: 4, replica: 6 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2171.799008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.799008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.799008 (E_RNA) where: Base-Base interactions energy: -1501.958 where: short stacking energy: -619.872 Base-Backbone interact. energy: 3.916 local terms energy: -673.756704 where: bonds (distance) C4'-P energy: -134.036 bonds (distance) P-C4' energy: -135.597 flat angles C4'-P-C4' energy: -150.989 flat angles P-C4'-P energy: -90.745 tors. eta vs tors. theta energy: -162.390 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: 3 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1964.500007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.500007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.500007 (E_RNA) where: Base-Base interactions energy: -1314.921 where: short stacking energy: -576.694 Base-Backbone interact. energy: 8.555 local terms energy: -658.134058 where: bonds (distance) C4'-P energy: -128.675 bonds (distance) P-C4' energy: -141.581 flat angles C4'-P-C4' energy: -132.823 flat angles P-C4'-P energy: -102.526 tors. eta vs tors. theta energy: -152.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1739.612577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.612577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.612577 (E_RNA) where: Base-Base interactions energy: -1140.819 where: short stacking energy: -481.852 Base-Backbone interact. energy: -2.308 local terms energy: -596.485685 where: bonds (distance) C4'-P energy: -127.546 bonds (distance) P-C4' energy: -122.066 flat angles C4'-P-C4' energy: -149.938 flat angles P-C4'-P energy: -87.886 tors. eta vs tors. theta energy: -109.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1481.155865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.155865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.155865 (E_RNA) where: Base-Base interactions energy: -918.687 where: short stacking energy: -448.268 Base-Backbone interact. energy: -0.412 local terms energy: -562.057556 where: bonds (distance) C4'-P energy: -110.600 bonds (distance) P-C4' energy: -133.260 flat angles C4'-P-C4' energy: -138.527 flat angles P-C4'-P energy: -78.006 tors. eta vs tors. theta energy: -101.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1251.492841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.492841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.492841 (E_RNA) where: Base-Base interactions energy: -760.900 where: short stacking energy: -377.471 Base-Backbone interact. energy: 2.461 local terms energy: -493.053827 where: bonds (distance) C4'-P energy: -108.451 bonds (distance) P-C4' energy: -120.391 flat angles C4'-P-C4' energy: -117.929 flat angles P-C4'-P energy: -75.802 tors. eta vs tors. theta energy: -70.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -918.517643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.517643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.517643 (E_RNA) where: Base-Base interactions energy: -458.061 where: short stacking energy: -245.152 Base-Backbone interact. energy: -0.596 local terms energy: -459.860827 where: bonds (distance) C4'-P energy: -123.590 bonds (distance) P-C4' energy: -137.365 flat angles C4'-P-C4' energy: -116.682 flat angles P-C4'-P energy: -59.656 tors. eta vs tors. theta energy: -22.568 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: 139 Temperature: 1.350000 Total energy: -692.896055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.896055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.896055 (E_RNA) where: Base-Base interactions energy: -288.597 where: short stacking energy: -194.559 Base-Backbone interact. energy: -2.313 local terms energy: -401.985780 where: bonds (distance) C4'-P energy: -124.777 bonds (distance) P-C4' energy: -120.775 flat angles C4'-P-C4' energy: -107.897 flat angles P-C4'-P energy: -71.554 tors. eta vs tors. theta energy: 23.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2510.998908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.998908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.998908 (E_RNA) where: Base-Base interactions energy: -1729.519 where: short stacking energy: -710.653 Base-Backbone interact. energy: -3.305 local terms energy: -778.175712 where: bonds (distance) C4'-P energy: -132.583 bonds (distance) P-C4' energy: -162.126 flat angles C4'-P-C4' energy: -161.353 flat angles P-C4'-P energy: -112.990 tors. eta vs tors. theta energy: -209.123 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: 2, replica: 4 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2391.567667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.567667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.567667 (E_RNA) where: Base-Base interactions energy: -1657.011 where: short stacking energy: -686.920 Base-Backbone interact. energy: -4.048 local terms energy: -730.508935 where: bonds (distance) C4'-P energy: -147.231 bonds (distance) P-C4' energy: -139.071 flat angles C4'-P-C4' energy: -149.781 flat angles P-C4'-P energy: -100.090 tors. eta vs tors. theta energy: -194.336 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: 8 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2273.474329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.474329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.474329 (E_RNA) where: Base-Base interactions energy: -1550.282 where: short stacking energy: -674.697 Base-Backbone interact. energy: -2.616 local terms energy: -720.575588 where: bonds (distance) C4'-P energy: -143.310 bonds (distance) P-C4' energy: -122.734 flat angles C4'-P-C4' energy: -165.422 flat angles P-C4'-P energy: -100.404 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: 4, replica: 6 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2166.028021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.028021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.028021 (E_RNA) where: Base-Base interactions energy: -1493.353 where: short stacking energy: -619.016 Base-Backbone interact. energy: 0.424 local terms energy: -673.098391 where: bonds (distance) C4'-P energy: -136.729 bonds (distance) P-C4' energy: -139.027 flat angles C4'-P-C4' energy: -135.741 flat angles P-C4'-P energy: -99.036 tors. eta vs tors. theta energy: -162.566 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: 3 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1954.205719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.205719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.205719 (E_RNA) where: Base-Base interactions energy: -1312.809 where: short stacking energy: -574.654 Base-Backbone interact. energy: 0.079 local terms energy: -641.476429 where: bonds (distance) C4'-P energy: -109.592 bonds (distance) P-C4' energy: -137.348 flat angles C4'-P-C4' energy: -147.447 flat angles P-C4'-P energy: -90.556 tors. eta vs tors. theta energy: -156.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1805.907312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.907312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.907312 (E_RNA) where: Base-Base interactions energy: -1199.808 where: short stacking energy: -532.893 Base-Backbone interact. energy: -0.802 local terms energy: -606.668378 where: bonds (distance) C4'-P energy: -118.693 bonds (distance) P-C4' energy: -141.603 flat angles C4'-P-C4' energy: -129.228 flat angles P-C4'-P energy: -96.607 tors. eta vs tors. theta energy: -120.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.370 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1432.717126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.717126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.717126 (E_RNA) where: Base-Base interactions energy: -896.686 where: short stacking energy: -406.278 Base-Backbone interact. energy: -0.878 local terms energy: -535.153008 where: bonds (distance) C4'-P energy: -139.818 bonds (distance) P-C4' energy: -132.750 flat angles C4'-P-C4' energy: -125.756 flat angles P-C4'-P energy: -77.712 tors. eta vs tors. theta energy: -59.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1250.811480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.811480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.811480 (E_RNA) where: Base-Base interactions energy: -728.508 where: short stacking energy: -354.529 Base-Backbone interact. energy: 0.552 local terms energy: -522.855424 where: bonds (distance) C4'-P energy: -122.703 bonds (distance) P-C4' energy: -134.872 flat angles C4'-P-C4' energy: -134.514 flat angles P-C4'-P energy: -71.566 tors. eta vs tors. theta energy: -59.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -1064.900311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.900311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.900311 (E_RNA) where: Base-Base interactions energy: -602.930 where: short stacking energy: -278.623 Base-Backbone interact. energy: -0.731 local terms energy: -461.239552 where: bonds (distance) C4'-P energy: -137.518 bonds (distance) P-C4' energy: -125.783 flat angles C4'-P-C4' energy: -110.193 flat angles P-C4'-P energy: -70.037 tors. eta vs tors. theta energy: -17.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -672.869373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.869373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.869373 (E_RNA) where: Base-Base interactions energy: -323.288 where: short stacking energy: -188.575 Base-Backbone interact. energy: -6.032 local terms energy: -343.549336 where: bonds (distance) C4'-P energy: -112.414 bonds (distance) P-C4' energy: -120.469 flat angles C4'-P-C4' energy: -107.134 flat angles P-C4'-P energy: -40.946 tors. eta vs tors. theta energy: 37.414 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: 1, replica: 2 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2506.105214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.105214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.105214 (E_RNA) where: Base-Base interactions energy: -1712.066 where: short stacking energy: -739.393 Base-Backbone interact. energy: -0.882 local terms energy: -793.156964 where: bonds (distance) C4'-P energy: -151.596 bonds (distance) P-C4' energy: -154.198 flat angles C4'-P-C4' energy: -171.391 flat angles P-C4'-P energy: -108.259 tors. eta vs tors. theta energy: -207.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2357.300863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.300863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.300863 (E_RNA) where: Base-Base interactions energy: -1628.598 where: short stacking energy: -668.430 Base-Backbone interact. energy: -1.493 local terms energy: -727.210210 where: bonds (distance) C4'-P energy: -129.695 bonds (distance) P-C4' energy: -161.432 flat angles C4'-P-C4' energy: -157.130 flat angles P-C4'-P energy: -105.712 tors. eta vs tors. theta energy: -173.242 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: 8 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2284.956559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.956559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.956559 (E_RNA) where: Base-Base interactions energy: -1587.072 where: short stacking energy: -675.488 Base-Backbone interact. energy: -1.273 local terms energy: -696.610991 where: bonds (distance) C4'-P energy: -125.286 bonds (distance) P-C4' energy: -133.634 flat angles C4'-P-C4' energy: -161.880 flat angles P-C4'-P energy: -96.138 tors. eta vs tors. theta energy: -179.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -2176.594556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.594556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.594556 (E_RNA) where: Base-Base interactions energy: -1512.211 where: short stacking energy: -633.138 Base-Backbone interact. energy: -3.311 local terms energy: -661.072462 where: bonds (distance) C4'-P energy: -133.626 bonds (distance) P-C4' energy: -122.170 flat angles C4'-P-C4' energy: -135.319 flat angles P-C4'-P energy: -94.983 tors. eta vs tors. theta energy: -174.974 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: 3 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -2002.352092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.352092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.352092 (E_RNA) where: Base-Base interactions energy: -1346.699 where: short stacking energy: -597.426 Base-Backbone interact. energy: 2.051 local terms energy: -657.703797 where: bonds (distance) C4'-P energy: -134.683 bonds (distance) P-C4' energy: -131.548 flat angles C4'-P-C4' energy: -150.723 flat angles P-C4'-P energy: -83.477 tors. eta vs tors. theta energy: -157.273 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: 7 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1769.340714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.340714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.340714 (E_RNA) where: Base-Base interactions energy: -1178.696 where: short stacking energy: -530.519 Base-Backbone interact. energy: 2.522 local terms energy: -593.166632 where: bonds (distance) C4'-P energy: -111.911 bonds (distance) P-C4' energy: -121.853 flat angles C4'-P-C4' energy: -142.746 flat angles P-C4'-P energy: -87.547 tors. eta vs tors. theta energy: -129.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1492.922259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.922259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.922259 (E_RNA) where: Base-Base interactions energy: -907.236 where: short stacking energy: -412.590 Base-Backbone interact. energy: -0.474 local terms energy: -585.212345 where: bonds (distance) C4'-P energy: -123.233 bonds (distance) P-C4' energy: -138.592 flat angles C4'-P-C4' energy: -129.110 flat angles P-C4'-P energy: -102.508 tors. eta vs tors. theta energy: -91.769 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: 8, replica: 5 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1215.723381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.723381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.723381 (E_RNA) where: Base-Base interactions energy: -728.602 where: short stacking energy: -346.076 Base-Backbone interact. energy: -4.750 local terms energy: -482.371139 where: bonds (distance) C4'-P energy: -128.153 bonds (distance) P-C4' energy: -130.351 flat angles C4'-P-C4' energy: -98.350 flat angles P-C4'-P energy: -67.456 tors. eta vs tors. theta energy: -58.061 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: 9 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -1045.922661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.922661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.922661 (E_RNA) where: Base-Base interactions energy: -576.786 where: short stacking energy: -285.513 Base-Backbone interact. energy: 6.733 local terms energy: -475.869682 where: bonds (distance) C4'-P energy: -130.052 bonds (distance) P-C4' energy: -130.200 flat angles C4'-P-C4' energy: -101.530 flat angles P-C4'-P energy: -90.530 tors. eta vs tors. theta energy: -23.557 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: 141 Temperature: 1.350000 Total energy: -716.764633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.764633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.764633 (E_RNA) where: Base-Base interactions energy: -326.885 where: short stacking energy: -208.877 Base-Backbone interact. energy: 6.996 local terms energy: -396.875693 where: bonds (distance) C4'-P energy: -96.902 bonds (distance) P-C4' energy: -131.698 flat angles C4'-P-C4' energy: -100.326 flat angles P-C4'-P energy: -71.400 tors. eta vs tors. theta energy: 3.450 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: 2 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2559.142275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.142275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.142275 (E_RNA) where: Base-Base interactions energy: -1754.281 where: short stacking energy: -729.476 Base-Backbone interact. energy: -4.805 local terms energy: -800.056964 where: bonds (distance) C4'-P energy: -161.013 bonds (distance) P-C4' energy: -160.889 flat angles C4'-P-C4' energy: -170.420 flat angles P-C4'-P energy: -104.274 tors. eta vs tors. theta energy: -203.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2407.871906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.871906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.871906 (E_RNA) where: Base-Base interactions energy: -1661.260 where: short stacking energy: -683.487 Base-Backbone interact. energy: -2.458 local terms energy: -744.154530 where: bonds (distance) C4'-P energy: -141.204 bonds (distance) P-C4' energy: -146.272 flat angles C4'-P-C4' energy: -164.069 flat angles P-C4'-P energy: -111.722 tors. eta vs tors. theta energy: -180.887 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: 8 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2281.738154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.738154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.738154 (E_RNA) where: Base-Base interactions energy: -1571.725 where: short stacking energy: -655.934 Base-Backbone interact. energy: -0.220 local terms energy: -709.793270 where: bonds (distance) C4'-P energy: -147.132 bonds (distance) P-C4' energy: -125.504 flat angles C4'-P-C4' energy: -150.950 flat angles P-C4'-P energy: -109.124 tors. eta vs tors. theta energy: -177.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2170.873831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.873831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.873831 (E_RNA) where: Base-Base interactions energy: -1478.180 where: short stacking energy: -598.086 Base-Backbone interact. energy: -3.195 local terms energy: -689.518618 where: bonds (distance) C4'-P energy: -148.160 bonds (distance) P-C4' energy: -145.047 flat angles C4'-P-C4' energy: -159.363 flat angles P-C4'-P energy: -76.954 tors. eta vs tors. theta energy: -159.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.020 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -2014.823445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.823445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.823445 (E_RNA) where: Base-Base interactions energy: -1316.468 where: short stacking energy: -611.178 Base-Backbone interact. energy: 4.337 local terms energy: -702.692517 where: bonds (distance) C4'-P energy: -147.190 bonds (distance) P-C4' energy: -132.505 flat angles C4'-P-C4' energy: -145.029 flat angles P-C4'-P energy: -95.954 tors. eta vs tors. theta energy: -182.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1837.586869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.586869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.586869 (E_RNA) where: Base-Base interactions energy: -1207.893 where: short stacking energy: -540.630 Base-Backbone interact. energy: 3.725 local terms energy: -633.419051 where: bonds (distance) C4'-P energy: -132.918 bonds (distance) P-C4' energy: -140.030 flat angles C4'-P-C4' energy: -147.307 flat angles P-C4'-P energy: -79.535 tors. eta vs tors. theta energy: -133.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1461.915560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.915560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.915560 (E_RNA) where: Base-Base interactions energy: -914.100 where: short stacking energy: -431.714 Base-Backbone interact. energy: -1.746 local terms energy: -546.069843 where: bonds (distance) C4'-P energy: -107.779 bonds (distance) P-C4' energy: -123.810 flat angles C4'-P-C4' energy: -146.518 flat angles P-C4'-P energy: -85.494 tors. eta vs tors. theta energy: -82.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1214.272903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.272903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.272903 (E_RNA) where: Base-Base interactions energy: -695.406 where: short stacking energy: -336.838 Base-Backbone interact. energy: -1.284 local terms energy: -517.581979 where: bonds (distance) C4'-P energy: -125.296 bonds (distance) P-C4' energy: -124.393 flat angles C4'-P-C4' energy: -129.824 flat angles P-C4'-P energy: -81.661 tors. eta vs tors. theta energy: -56.408 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: 9 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -1060.313981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.313981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.313981 (E_RNA) where: Base-Base interactions energy: -614.710 where: short stacking energy: -292.108 Base-Backbone interact. energy: -0.429 local terms energy: -445.558434 where: bonds (distance) C4'-P energy: -95.337 bonds (distance) P-C4' energy: -128.515 flat angles C4'-P-C4' energy: -117.895 flat angles P-C4'-P energy: -68.464 tors. eta vs tors. theta energy: -35.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.384 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -711.795833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.795833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.795833 (E_RNA) where: Base-Base interactions energy: -326.864 where: short stacking energy: -213.395 Base-Backbone interact. energy: -2.784 local terms energy: -382.147366 where: bonds (distance) C4'-P energy: -95.755 bonds (distance) P-C4' energy: -140.687 flat angles C4'-P-C4' energy: -93.884 flat angles P-C4'-P energy: -64.171 tors. eta vs tors. theta energy: 12.349 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: 2 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2494.772705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.772705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.772705 (E_RNA) where: Base-Base interactions energy: -1706.521 where: short stacking energy: -729.572 Base-Backbone interact. energy: -1.265 local terms energy: -786.986901 where: bonds (distance) C4'-P energy: -138.678 bonds (distance) P-C4' energy: -159.892 flat angles C4'-P-C4' energy: -173.885 flat angles P-C4'-P energy: -115.323 tors. eta vs tors. theta energy: -199.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2386.019338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.019338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.019338 (E_RNA) where: Base-Base interactions energy: -1674.772 where: short stacking energy: -696.679 Base-Backbone interact. energy: 2.153 local terms energy: -713.400056 where: bonds (distance) C4'-P energy: -137.130 bonds (distance) P-C4' energy: -142.329 flat angles C4'-P-C4' energy: -144.674 flat angles P-C4'-P energy: -112.257 tors. eta vs tors. theta energy: -177.010 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: 3, replica: 8 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2287.562468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.562468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.562468 (E_RNA) where: Base-Base interactions energy: -1576.530 where: short stacking energy: -688.914 Base-Backbone interact. energy: 1.953 local terms energy: -712.985857 where: bonds (distance) C4'-P energy: -139.282 bonds (distance) P-C4' energy: -136.891 flat angles C4'-P-C4' energy: -155.349 flat angles P-C4'-P energy: -100.487 tors. eta vs tors. theta energy: -180.978 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: 143 Temperature: 1.050000 Total energy: -2128.285979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.285979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.285979 (E_RNA) where: Base-Base interactions energy: -1478.723 where: short stacking energy: -597.307 Base-Backbone interact. energy: -1.623 local terms energy: -647.939668 where: bonds (distance) C4'-P energy: -135.710 bonds (distance) P-C4' energy: -136.996 flat angles C4'-P-C4' energy: -142.154 flat angles P-C4'-P energy: -82.196 tors. eta vs tors. theta energy: -150.883 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: 3 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1982.633470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.633470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.633470 (E_RNA) where: Base-Base interactions energy: -1340.462 where: short stacking energy: -575.987 Base-Backbone interact. energy: -2.514 local terms energy: -640.243805 where: bonds (distance) C4'-P energy: -114.563 bonds (distance) P-C4' energy: -131.963 flat angles C4'-P-C4' energy: -150.003 flat angles P-C4'-P energy: -93.882 tors. eta vs tors. theta energy: -149.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.586 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1795.216883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.216883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.216883 (E_RNA) where: Base-Base interactions energy: -1159.215 where: short stacking energy: -548.863 Base-Backbone interact. energy: -4.066 local terms energy: -631.935141 where: bonds (distance) C4'-P energy: -118.043 bonds (distance) P-C4' energy: -139.593 flat angles C4'-P-C4' energy: -139.069 flat angles P-C4'-P energy: -87.693 tors. eta vs tors. theta energy: -147.538 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: 1 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1422.478431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.478431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.478431 (E_RNA) where: Base-Base interactions energy: -875.865 where: short stacking energy: -440.725 Base-Backbone interact. energy: 1.482 local terms energy: -548.095408 where: bonds (distance) C4'-P energy: -138.980 bonds (distance) P-C4' energy: -128.909 flat angles C4'-P-C4' energy: -120.538 flat angles P-C4'-P energy: -71.461 tors. eta vs tors. theta energy: -88.208 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: 8, replica: 5 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1213.895534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.895534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.895534 (E_RNA) where: Base-Base interactions energy: -698.544 where: short stacking energy: -342.460 Base-Backbone interact. energy: -0.295 local terms energy: -515.056789 where: bonds (distance) C4'-P energy: -139.608 bonds (distance) P-C4' energy: -131.704 flat angles C4'-P-C4' energy: -118.116 flat angles P-C4'-P energy: -71.495 tors. eta vs tors. theta energy: -54.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -1119.257686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.257686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.257686 (E_RNA) where: Base-Base interactions energy: -660.968 where: short stacking energy: -315.125 Base-Backbone interact. energy: -4.166 local terms energy: -454.123371 where: bonds (distance) C4'-P energy: -116.896 bonds (distance) P-C4' energy: -114.362 flat angles C4'-P-C4' energy: -103.280 flat angles P-C4'-P energy: -71.752 tors. eta vs tors. theta energy: -47.834 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: 10 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -710.750528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.750528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.750528 (E_RNA) where: Base-Base interactions energy: -349.630 where: short stacking energy: -199.696 Base-Backbone interact. energy: 1.269 local terms energy: -362.389605 where: bonds (distance) C4'-P energy: -108.925 bonds (distance) P-C4' energy: -114.514 flat angles C4'-P-C4' energy: -101.345 flat angles P-C4'-P energy: -51.236 tors. eta vs tors. theta energy: 13.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2493.331516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.331516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.331516 (E_RNA) where: Base-Base interactions energy: -1716.190 where: short stacking energy: -709.121 Base-Backbone interact. energy: -1.334 local terms energy: -775.807316 where: bonds (distance) C4'-P energy: -145.519 bonds (distance) P-C4' energy: -148.537 flat angles C4'-P-C4' energy: -166.766 flat angles P-C4'-P energy: -110.519 tors. eta vs tors. theta energy: -204.466 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: 4 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2391.296224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.296224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.296224 (E_RNA) where: Base-Base interactions energy: -1634.998 where: short stacking energy: -687.319 Base-Backbone interact. energy: -2.119 local terms energy: -754.178698 where: bonds (distance) C4'-P energy: -149.076 bonds (distance) P-C4' energy: -150.298 flat angles C4'-P-C4' energy: -157.789 flat angles P-C4'-P energy: -104.858 tors. eta vs tors. theta energy: -192.157 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: 3, replica: 8 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2301.052275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.052275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.052275 (E_RNA) where: Base-Base interactions energy: -1585.914 where: short stacking energy: -690.789 Base-Backbone interact. energy: -0.699 local terms energy: -714.439691 where: bonds (distance) C4'-P energy: -145.033 bonds (distance) P-C4' energy: -133.639 flat angles C4'-P-C4' energy: -156.146 flat angles P-C4'-P energy: -87.202 tors. eta vs tors. theta energy: -192.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2178.237041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.237041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.237041 (E_RNA) where: Base-Base interactions energy: -1477.522 where: short stacking energy: -645.439 Base-Backbone interact. energy: 1.604 local terms energy: -702.319520 where: bonds (distance) C4'-P energy: -144.603 bonds (distance) P-C4' energy: -142.701 flat angles C4'-P-C4' energy: -162.080 flat angles P-C4'-P energy: -93.401 tors. eta vs tors. theta energy: -159.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -2016.724132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.724132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.724132 (E_RNA) where: Base-Base interactions energy: -1383.407 where: short stacking energy: -582.326 Base-Backbone interact. energy: -3.233 local terms energy: -630.084446 where: bonds (distance) C4'-P energy: -111.492 bonds (distance) P-C4' energy: -133.149 flat angles C4'-P-C4' energy: -145.873 flat angles P-C4'-P energy: -84.593 tors. eta vs tors. theta energy: -154.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1828.340881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.340881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.340881 (E_RNA) where: Base-Base interactions energy: -1185.983 where: short stacking energy: -548.682 Base-Backbone interact. energy: 1.638 local terms energy: -643.996481 where: bonds (distance) C4'-P energy: -126.723 bonds (distance) P-C4' energy: -136.525 flat angles C4'-P-C4' energy: -149.979 flat angles P-C4'-P energy: -90.277 tors. eta vs tors. theta energy: -140.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1426.982237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.982237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.982237 (E_RNA) where: Base-Base interactions energy: -887.664 where: short stacking energy: -413.377 Base-Backbone interact. energy: 1.911 local terms energy: -541.229104 where: bonds (distance) C4'-P energy: -122.578 bonds (distance) P-C4' energy: -124.986 flat angles C4'-P-C4' energy: -137.796 flat angles P-C4'-P energy: -76.126 tors. eta vs tors. theta energy: -79.742 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: 5 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1168.038360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.038360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.038360 (E_RNA) where: Base-Base interactions energy: -683.692 where: short stacking energy: -354.156 Base-Backbone interact. energy: -1.695 local terms energy: -482.651143 where: bonds (distance) C4'-P energy: -118.450 bonds (distance) P-C4' energy: -140.945 flat angles C4'-P-C4' energy: -100.375 flat angles P-C4'-P energy: -81.248 tors. eta vs tors. theta energy: -41.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -1087.114007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.114007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.114007 (E_RNA) where: Base-Base interactions energy: -621.471 where: short stacking energy: -288.140 Base-Backbone interact. energy: -0.359 local terms energy: -465.284338 where: bonds (distance) C4'-P energy: -126.487 bonds (distance) P-C4' energy: -117.745 flat angles C4'-P-C4' energy: -112.278 flat angles P-C4'-P energy: -68.002 tors. eta vs tors. theta energy: -40.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -806.304434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.304434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.304434 (E_RNA) where: Base-Base interactions energy: -399.406 where: short stacking energy: -224.751 Base-Backbone interact. energy: -2.417 local terms energy: -404.481876 where: bonds (distance) C4'-P energy: -108.185 bonds (distance) P-C4' energy: -124.985 flat angles C4'-P-C4' energy: -103.372 flat angles P-C4'-P energy: -61.777 tors. eta vs tors. theta energy: -6.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2530.969483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.969483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.969483 (E_RNA) where: Base-Base interactions energy: -1731.323 where: short stacking energy: -732.878 Base-Backbone interact. energy: -2.735 local terms energy: -796.911524 where: bonds (distance) C4'-P energy: -161.876 bonds (distance) P-C4' energy: -146.567 flat angles C4'-P-C4' energy: -158.996 flat angles P-C4'-P energy: -118.506 tors. eta vs tors. theta energy: -210.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2412.595838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.595838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.595838 (E_RNA) where: Base-Base interactions energy: -1654.236 where: short stacking energy: -681.506 Base-Backbone interact. energy: -1.729 local terms energy: -756.631228 where: bonds (distance) C4'-P energy: -155.643 bonds (distance) P-C4' energy: -156.365 flat angles C4'-P-C4' energy: -164.100 flat angles P-C4'-P energy: -92.957 tors. eta vs tors. theta energy: -187.566 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: 8 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2316.891468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.891468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.891468 (E_RNA) where: Base-Base interactions energy: -1601.820 where: short stacking energy: -688.562 Base-Backbone interact. energy: 2.740 local terms energy: -717.811365 where: bonds (distance) C4'-P energy: -108.263 bonds (distance) P-C4' energy: -152.555 flat angles C4'-P-C4' energy: -156.975 flat angles P-C4'-P energy: -115.573 tors. eta vs tors. theta energy: -184.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2214.215199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.215199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.215199 (E_RNA) where: Base-Base interactions energy: -1490.870 where: short stacking energy: -620.586 Base-Backbone interact. energy: -1.223 local terms energy: -722.697528 where: bonds (distance) C4'-P energy: -144.239 bonds (distance) P-C4' energy: -148.266 flat angles C4'-P-C4' energy: -159.344 flat angles P-C4'-P energy: -108.398 tors. eta vs tors. theta energy: -162.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.576 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -2017.255067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.255067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.255067 (E_RNA) where: Base-Base interactions energy: -1365.103 where: short stacking energy: -589.325 Base-Backbone interact. energy: 0.282 local terms energy: -652.433730 where: bonds (distance) C4'-P energy: -118.239 bonds (distance) P-C4' energy: -139.216 flat angles C4'-P-C4' energy: -143.712 flat angles P-C4'-P energy: -96.253 tors. eta vs tors. theta energy: -155.014 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: 6, replica: 7 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1846.386344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.386344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.386344 (E_RNA) where: Base-Base interactions energy: -1219.606 where: short stacking energy: -585.599 Base-Backbone interact. energy: 1.390 local terms energy: -628.170112 where: bonds (distance) C4'-P energy: -117.852 bonds (distance) P-C4' energy: -126.260 flat angles C4'-P-C4' energy: -143.952 flat angles P-C4'-P energy: -98.583 tors. eta vs tors. theta energy: -141.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1436.869297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.869297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.869297 (E_RNA) where: Base-Base interactions energy: -893.856 where: short stacking energy: -436.846 Base-Backbone interact. energy: 2.855 local terms energy: -545.867477 where: bonds (distance) C4'-P energy: -139.196 bonds (distance) P-C4' energy: -122.915 flat angles C4'-P-C4' energy: -125.841 flat angles P-C4'-P energy: -83.286 tors. eta vs tors. theta energy: -74.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1171.552105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.552105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.552105 (E_RNA) where: Base-Base interactions energy: -691.746 where: short stacking energy: -313.843 Base-Backbone interact. energy: -3.806 local terms energy: -476.000462 where: bonds (distance) C4'-P energy: -117.204 bonds (distance) P-C4' energy: -135.392 flat angles C4'-P-C4' energy: -123.530 flat angles P-C4'-P energy: -65.718 tors. eta vs tors. theta energy: -34.156 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: 9 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -1028.538787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.538787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.538787 (E_RNA) where: Base-Base interactions energy: -586.091 where: short stacking energy: -284.543 Base-Backbone interact. energy: 0.718 local terms energy: -443.166044 where: bonds (distance) C4'-P energy: -111.008 bonds (distance) P-C4' energy: -146.955 flat angles C4'-P-C4' energy: -99.750 flat angles P-C4'-P energy: -64.859 tors. eta vs tors. theta energy: -20.594 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: 10, replica: 10 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -777.121217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.121217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.121217 (E_RNA) where: Base-Base interactions energy: -401.159 where: short stacking energy: -242.154 Base-Backbone interact. energy: 4.532 local terms energy: -380.494214 where: bonds (distance) C4'-P energy: -98.765 bonds (distance) P-C4' energy: -127.413 flat angles C4'-P-C4' energy: -115.130 flat angles P-C4'-P energy: -48.775 tors. eta vs tors. theta energy: 9.589 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: 1, replica: 2 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2575.765135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.765135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.765135 (E_RNA) where: Base-Base interactions energy: -1762.851 where: short stacking energy: -743.910 Base-Backbone interact. energy: -3.930 local terms energy: -808.984269 where: bonds (distance) C4'-P energy: -151.966 bonds (distance) P-C4' energy: -146.251 flat angles C4'-P-C4' energy: -180.999 flat angles P-C4'-P energy: -114.239 tors. eta vs tors. theta energy: -215.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2434.861720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.861720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.861720 (E_RNA) where: Base-Base interactions energy: -1702.996 where: short stacking energy: -698.627 Base-Backbone interact. energy: 5.522 local terms energy: -737.387798 where: bonds (distance) C4'-P energy: -138.576 bonds (distance) P-C4' energy: -152.680 flat angles C4'-P-C4' energy: -160.599 flat angles P-C4'-P energy: -94.538 tors. eta vs tors. theta energy: -190.995 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: 3, replica: 8 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2297.679909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.679909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.679909 (E_RNA) where: Base-Base interactions energy: -1567.264 where: short stacking energy: -671.789 Base-Backbone interact. energy: 0.353 local terms energy: -730.769099 where: bonds (distance) C4'-P energy: -139.773 bonds (distance) P-C4' energy: -145.945 flat angles C4'-P-C4' energy: -163.543 flat angles P-C4'-P energy: -105.885 tors. eta vs tors. theta energy: -175.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2148.939819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.939819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.939819 (E_RNA) where: Base-Base interactions energy: -1495.055 where: short stacking energy: -634.697 Base-Backbone interact. energy: 4.704 local terms energy: -658.588263 where: bonds (distance) C4'-P energy: -108.518 bonds (distance) P-C4' energy: -144.034 flat angles C4'-P-C4' energy: -154.030 flat angles P-C4'-P energy: -83.606 tors. eta vs tors. theta energy: -168.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -2016.325753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.325753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.325753 (E_RNA) where: Base-Base interactions energy: -1327.340 where: short stacking energy: -606.417 Base-Backbone interact. energy: -2.049 local terms energy: -687.733564 where: bonds (distance) C4'-P energy: -132.876 bonds (distance) P-C4' energy: -134.920 flat angles C4'-P-C4' energy: -147.213 flat angles P-C4'-P energy: -105.913 tors. eta vs tors. theta energy: -166.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.797 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1865.233335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.233335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.233335 (E_RNA) where: Base-Base interactions energy: -1226.750 where: short stacking energy: -554.071 Base-Backbone interact. energy: -0.118 local terms energy: -638.364621 where: bonds (distance) C4'-P energy: -127.860 bonds (distance) P-C4' energy: -127.274 flat angles C4'-P-C4' energy: -147.569 flat angles P-C4'-P energy: -93.623 tors. eta vs tors. theta energy: -142.039 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: 5 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1356.942601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.942601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.942601 (E_RNA) where: Base-Base interactions energy: -798.649 where: short stacking energy: -394.247 Base-Backbone interact. energy: -1.468 local terms energy: -556.825877 where: bonds (distance) C4'-P energy: -138.538 bonds (distance) P-C4' energy: -132.026 flat angles C4'-P-C4' energy: -124.627 flat angles P-C4'-P energy: -77.196 tors. eta vs tors. theta energy: -84.440 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: 146 Temperature: 1.250000 Total energy: -1387.457280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.457280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.457280 (E_RNA) where: Base-Base interactions energy: -877.488 where: short stacking energy: -410.524 Base-Backbone interact. energy: 4.328 local terms energy: -514.297227 where: bonds (distance) C4'-P energy: -98.425 bonds (distance) P-C4' energy: -115.761 flat angles C4'-P-C4' energy: -124.611 flat angles P-C4'-P energy: -92.850 tors. eta vs tors. theta energy: -82.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -1093.881903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.881903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.881903 (E_RNA) where: Base-Base interactions energy: -638.544 where: short stacking energy: -292.875 Base-Backbone interact. energy: -0.292 local terms energy: -455.045579 where: bonds (distance) C4'-P energy: -137.578 bonds (distance) P-C4' energy: -115.062 flat angles C4'-P-C4' energy: -110.935 flat angles P-C4'-P energy: -63.389 tors. eta vs tors. theta energy: -28.081 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: 10 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -804.403874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.403874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.403874 (E_RNA) where: Base-Base interactions energy: -394.906 where: short stacking energy: -215.270 Base-Backbone interact. energy: 0.804 local terms energy: -410.301551 where: bonds (distance) C4'-P energy: -122.994 bonds (distance) P-C4' energy: -126.182 flat angles C4'-P-C4' energy: -109.672 flat angles P-C4'-P energy: -57.045 tors. eta vs tors. theta energy: 5.592 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: 2 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2524.855669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.855669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.855669 (E_RNA) where: Base-Base interactions energy: -1739.034 where: short stacking energy: -734.391 Base-Backbone interact. energy: -2.441 local terms energy: -783.380489 where: bonds (distance) C4'-P energy: -127.006 bonds (distance) P-C4' energy: -157.112 flat angles C4'-P-C4' energy: -165.077 flat angles P-C4'-P energy: -123.767 tors. eta vs tors. theta energy: -210.418 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: 2, replica: 4 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2386.551599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.551599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.551599 (E_RNA) where: Base-Base interactions energy: -1646.996 where: short stacking energy: -684.671 Base-Backbone interact. energy: 3.540 local terms energy: -743.095903 where: bonds (distance) C4'-P energy: -143.418 bonds (distance) P-C4' energy: -149.243 flat angles C4'-P-C4' energy: -157.773 flat angles P-C4'-P energy: -112.420 tors. eta vs tors. theta energy: -180.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2289.960776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.960776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.960776 (E_RNA) where: Base-Base interactions energy: -1561.256 where: short stacking energy: -671.600 Base-Backbone interact. energy: -3.426 local terms energy: -725.278862 where: bonds (distance) C4'-P energy: -131.127 bonds (distance) P-C4' energy: -153.019 flat angles C4'-P-C4' energy: -161.419 flat angles P-C4'-P energy: -104.416 tors. eta vs tors. theta energy: -175.297 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: 6 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2128.528886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.528886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.528886 (E_RNA) where: Base-Base interactions energy: -1450.651 where: short stacking energy: -613.429 Base-Backbone interact. energy: 4.382 local terms energy: -682.259562 where: bonds (distance) C4'-P energy: -145.832 bonds (distance) P-C4' energy: -149.905 flat angles C4'-P-C4' energy: -157.308 flat angles P-C4'-P energy: -77.414 tors. eta vs tors. theta energy: -151.800 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: 5, replica: 3 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2070.743457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.743457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.743457 (E_RNA) where: Base-Base interactions energy: -1373.091 where: short stacking energy: -595.723 Base-Backbone interact. energy: 1.767 local terms energy: -699.419481 where: bonds (distance) C4'-P energy: -149.757 bonds (distance) P-C4' energy: -139.284 flat angles C4'-P-C4' energy: -148.687 flat angles P-C4'-P energy: -96.600 tors. eta vs tors. theta energy: -165.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1818.578914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.578914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.578914 (E_RNA) where: Base-Base interactions energy: -1206.692 where: short stacking energy: -510.531 Base-Backbone interact. energy: -3.270 local terms energy: -608.616030 where: bonds (distance) C4'-P energy: -114.266 bonds (distance) P-C4' energy: -154.838 flat angles C4'-P-C4' energy: -129.829 flat angles P-C4'-P energy: -89.539 tors. eta vs tors. theta energy: -120.145 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: 5 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1390.709779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.709779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.709779 (E_RNA) where: Base-Base interactions energy: -825.345 where: short stacking energy: -406.747 Base-Backbone interact. energy: 7.231 local terms energy: -572.595949 where: bonds (distance) C4'-P energy: -126.167 bonds (distance) P-C4' energy: -123.362 flat angles C4'-P-C4' energy: -139.369 flat angles P-C4'-P energy: -102.641 tors. eta vs tors. theta energy: -81.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1332.825166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.825166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.825166 (E_RNA) where: Base-Base interactions energy: -849.992 where: short stacking energy: -390.457 Base-Backbone interact. energy: -0.754 local terms energy: -482.079622 where: bonds (distance) C4'-P energy: -116.254 bonds (distance) P-C4' energy: -126.268 flat angles C4'-P-C4' energy: -110.733 flat angles P-C4'-P energy: -60.726 tors. eta vs tors. theta energy: -68.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -1093.487861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.487861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.487861 (E_RNA) where: Base-Base interactions energy: -629.091 where: short stacking energy: -302.121 Base-Backbone interact. energy: -3.717 local terms energy: -460.680321 where: bonds (distance) C4'-P energy: -118.531 bonds (distance) P-C4' energy: -110.327 flat angles C4'-P-C4' energy: -111.386 flat angles P-C4'-P energy: -91.827 tors. eta vs tors. theta energy: -28.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -814.273995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.273995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.273995 (E_RNA) where: Base-Base interactions energy: -383.146 where: short stacking energy: -223.622 Base-Backbone interact. energy: 3.870 local terms energy: -434.998204 where: bonds (distance) C4'-P energy: -130.163 bonds (distance) P-C4' energy: -142.365 flat angles C4'-P-C4' energy: -93.611 flat angles P-C4'-P energy: -68.357 tors. eta vs tors. theta energy: -0.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2532.972994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.972994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.972994 (E_RNA) where: Base-Base interactions energy: -1760.381 where: short stacking energy: -726.316 Base-Backbone interact. energy: -2.341 local terms energy: -770.251044 where: bonds (distance) C4'-P energy: -141.580 bonds (distance) P-C4' energy: -163.418 flat angles C4'-P-C4' energy: -165.837 flat angles P-C4'-P energy: -92.356 tors. eta vs tors. theta energy: -207.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2396.225440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.225440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.225440 (E_RNA) where: Base-Base interactions energy: -1646.595 where: short stacking energy: -656.403 Base-Backbone interact. energy: 5.737 local terms energy: -755.366910 where: bonds (distance) C4'-P energy: -158.805 bonds (distance) P-C4' energy: -154.270 flat angles C4'-P-C4' energy: -161.102 flat angles P-C4'-P energy: -98.820 tors. eta vs tors. theta energy: -182.369 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: 3, replica: 8 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2263.511700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.511700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.511700 (E_RNA) where: Base-Base interactions energy: -1530.453 where: short stacking energy: -683.256 Base-Backbone interact. energy: -2.997 local terms energy: -730.061202 where: bonds (distance) C4'-P energy: -148.798 bonds (distance) P-C4' energy: -131.956 flat angles C4'-P-C4' energy: -158.162 flat angles P-C4'-P energy: -102.873 tors. eta vs tors. theta energy: -188.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2164.291641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.291641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.291641 (E_RNA) where: Base-Base interactions energy: -1498.118 where: short stacking energy: -607.654 Base-Backbone interact. energy: -4.688 local terms energy: -661.486400 where: bonds (distance) C4'-P energy: -143.952 bonds (distance) P-C4' energy: -124.628 flat angles C4'-P-C4' energy: -148.149 flat angles P-C4'-P energy: -74.475 tors. eta vs tors. theta energy: -170.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -2029.205193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.205193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.205193 (E_RNA) where: Base-Base interactions energy: -1344.420 where: short stacking energy: -592.457 Base-Backbone interact. energy: -0.798 local terms energy: -683.986493 where: bonds (distance) C4'-P energy: -141.452 bonds (distance) P-C4' energy: -138.209 flat angles C4'-P-C4' energy: -139.853 flat angles P-C4'-P energy: -105.707 tors. eta vs tors. theta energy: -158.765 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: 7 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1831.454961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.454961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.454961 (E_RNA) where: Base-Base interactions energy: -1211.187 where: short stacking energy: -535.027 Base-Backbone interact. energy: -0.317 local terms energy: -619.950818 where: bonds (distance) C4'-P energy: -122.467 bonds (distance) P-C4' energy: -120.380 flat angles C4'-P-C4' energy: -151.197 flat angles P-C4'-P energy: -85.959 tors. eta vs tors. theta energy: -139.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1394.430757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.430757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.430757 (E_RNA) where: Base-Base interactions energy: -826.583 where: short stacking energy: -411.019 Base-Backbone interact. energy: 0.150 local terms energy: -567.997039 where: bonds (distance) C4'-P energy: -145.638 bonds (distance) P-C4' energy: -138.579 flat angles C4'-P-C4' energy: -114.160 flat angles P-C4'-P energy: -80.682 tors. eta vs tors. theta energy: -88.937 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: 148 Temperature: 1.250000 Total energy: -1297.725024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.725024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.725024 (E_RNA) where: Base-Base interactions energy: -810.538 where: short stacking energy: -365.492 Base-Backbone interact. energy: 3.649 local terms energy: -490.835802 where: bonds (distance) C4'-P energy: -114.179 bonds (distance) P-C4' energy: -119.120 flat angles C4'-P-C4' energy: -115.314 flat angles P-C4'-P energy: -79.701 tors. eta vs tors. theta energy: -62.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -1140.585667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.585667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.585667 (E_RNA) where: Base-Base interactions energy: -693.759 where: short stacking energy: -326.732 Base-Backbone interact. energy: 4.428 local terms energy: -451.255332 where: bonds (distance) C4'-P energy: -98.640 bonds (distance) P-C4' energy: -124.963 flat angles C4'-P-C4' energy: -102.319 flat angles P-C4'-P energy: -76.066 tors. eta vs tors. theta energy: -49.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -786.726664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.726664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.726664 (E_RNA) where: Base-Base interactions energy: -378.836 where: short stacking energy: -214.637 Base-Backbone interact. energy: 7.739 local terms energy: -415.629570 where: bonds (distance) C4'-P energy: -99.399 bonds (distance) P-C4' energy: -142.409 flat angles C4'-P-C4' energy: -101.469 flat angles P-C4'-P energy: -65.906 tors. eta vs tors. theta energy: -6.447 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: 2 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2539.603239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.603239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.603239 (E_RNA) where: Base-Base interactions energy: -1781.533 where: short stacking energy: -760.091 Base-Backbone interact. energy: -0.756 local terms energy: -757.313940 where: bonds (distance) C4'-P energy: -138.294 bonds (distance) P-C4' energy: -150.325 flat angles C4'-P-C4' energy: -162.990 flat angles P-C4'-P energy: -88.111 tors. eta vs tors. theta energy: -217.594 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: 149 Temperature: 0.950000 Total energy: -2405.702813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.702813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.702813 (E_RNA) where: Base-Base interactions energy: -1696.284 where: short stacking energy: -704.500 Base-Backbone interact. energy: 3.577 local terms energy: -712.995336 where: bonds (distance) C4'-P energy: -133.957 bonds (distance) P-C4' energy: -130.271 flat angles C4'-P-C4' energy: -161.831 flat angles P-C4'-P energy: -103.383 tors. eta vs tors. theta energy: -183.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2302.204777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.204777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.204777 (E_RNA) where: Base-Base interactions energy: -1576.721 where: short stacking energy: -662.200 Base-Backbone interact. energy: 0.044 local terms energy: -725.528249 where: bonds (distance) C4'-P energy: -152.219 bonds (distance) P-C4' energy: -126.944 flat angles C4'-P-C4' energy: -157.152 flat angles P-C4'-P energy: -106.713 tors. eta vs tors. theta energy: -182.500 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: 6 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2200.999636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.999636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.999636 (E_RNA) where: Base-Base interactions energy: -1528.511 where: short stacking energy: -620.212 Base-Backbone interact. energy: 1.653 local terms energy: -674.140868 where: bonds (distance) C4'-P energy: -129.981 bonds (distance) P-C4' energy: -135.900 flat angles C4'-P-C4' energy: -152.289 flat angles P-C4'-P energy: -91.450 tors. eta vs tors. theta energy: -164.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -2052.129164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.129164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.129164 (E_RNA) where: Base-Base interactions energy: -1410.391 where: short stacking energy: -624.140 Base-Backbone interact. energy: -2.988 local terms energy: -638.750612 where: bonds (distance) C4'-P energy: -111.137 bonds (distance) P-C4' energy: -126.849 flat angles C4'-P-C4' energy: -143.545 flat angles P-C4'-P energy: -76.679 tors. eta vs tors. theta energy: -180.541 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: 6, replica: 7 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1858.149328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.149328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.149328 (E_RNA) where: Base-Base interactions energy: -1248.268 where: short stacking energy: -543.482 Base-Backbone interact. energy: -1.800 local terms energy: -608.081039 where: bonds (distance) C4'-P energy: -122.951 bonds (distance) P-C4' energy: -116.179 flat angles C4'-P-C4' energy: -140.940 flat angles P-C4'-P energy: -85.052 tors. eta vs tors. theta energy: -142.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1394.215109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.215109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.215109 (E_RNA) where: Base-Base interactions energy: -848.269 where: short stacking energy: -427.209 Base-Backbone interact. energy: 3.494 local terms energy: -549.439590 where: bonds (distance) C4'-P energy: -111.859 bonds (distance) P-C4' energy: -131.458 flat angles C4'-P-C4' energy: -130.830 flat angles P-C4'-P energy: -77.105 tors. eta vs tors. theta energy: -98.187 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: 149 Temperature: 1.250000 Total energy: -1343.047941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.047941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.047941 (E_RNA) where: Base-Base interactions energy: -864.270 where: short stacking energy: -395.222 Base-Backbone interact. energy: -1.228 local terms energy: -477.549530 where: bonds (distance) C4'-P energy: -90.057 bonds (distance) P-C4' energy: -141.243 flat angles C4'-P-C4' energy: -105.205 flat angles P-C4'-P energy: -81.190 tors. eta vs tors. theta energy: -59.854 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: 9 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -1150.269148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.269148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.269148 (E_RNA) where: Base-Base interactions energy: -686.082 where: short stacking energy: -327.761 Base-Backbone interact. energy: 1.948 local terms energy: -466.135046 where: bonds (distance) C4'-P energy: -101.410 bonds (distance) P-C4' energy: -126.918 flat angles C4'-P-C4' energy: -108.671 flat angles P-C4'-P energy: -75.862 tors. eta vs tors. theta energy: -53.274 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: 149 Temperature: 1.350000 Total energy: -742.413931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.413931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.413931 (E_RNA) where: Base-Base interactions energy: -378.552 where: short stacking energy: -195.955 Base-Backbone interact. energy: -0.618 local terms energy: -363.244204 where: bonds (distance) C4'-P energy: -110.514 bonds (distance) P-C4' energy: -120.536 flat angles C4'-P-C4' energy: -102.226 flat angles P-C4'-P energy: -51.296 tors. eta vs tors. theta energy: 21.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2586.146925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.146925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.146925 (E_RNA) where: Base-Base interactions energy: -1781.939 where: short stacking energy: -762.133 Base-Backbone interact. energy: -3.609 local terms energy: -800.598810 where: bonds (distance) C4'-P energy: -149.510 bonds (distance) P-C4' energy: -151.070 flat angles C4'-P-C4' energy: -165.897 flat angles P-C4'-P energy: -112.099 tors. eta vs tors. theta energy: -222.022 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: 2, replica: 4 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2353.861872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.861872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.861872 (E_RNA) where: Base-Base interactions energy: -1620.614 where: short stacking energy: -631.830 Base-Backbone interact. energy: 2.034 local terms energy: -735.282149 where: bonds (distance) C4'-P energy: -157.249 bonds (distance) P-C4' energy: -143.521 flat angles C4'-P-C4' energy: -162.028 flat angles P-C4'-P energy: -102.230 tors. eta vs tors. theta energy: -170.254 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: 150 Temperature: 1.000000 Total energy: -2285.943387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.943387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.943387 (E_RNA) where: Base-Base interactions energy: -1573.727 where: short stacking energy: -663.495 Base-Backbone interact. energy: -0.298 local terms energy: -711.917871 where: bonds (distance) C4'-P energy: -129.257 bonds (distance) P-C4' energy: -154.009 flat angles C4'-P-C4' energy: -157.655 flat angles P-C4'-P energy: -94.953 tors. eta vs tors. theta energy: -176.043 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: 4, replica: 6 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2168.915426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.915426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.915426 (E_RNA) where: Base-Base interactions energy: -1478.039 where: short stacking energy: -624.839 Base-Backbone interact. energy: 1.146 local terms energy: -692.022785 where: bonds (distance) C4'-P energy: -128.268 bonds (distance) P-C4' energy: -152.948 flat angles C4'-P-C4' energy: -155.487 flat angles P-C4'-P energy: -88.169 tors. eta vs tors. theta energy: -167.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -2035.155186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.155186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.155186 (E_RNA) where: Base-Base interactions energy: -1373.041 where: short stacking energy: -578.471 Base-Backbone interact. energy: 0.720 local terms energy: -662.834706 where: bonds (distance) C4'-P energy: -114.600 bonds (distance) P-C4' energy: -142.790 flat angles C4'-P-C4' energy: -133.826 flat angles P-C4'-P energy: -113.367 tors. eta vs tors. theta energy: -158.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1841.502939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.502939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.502939 (E_RNA) where: Base-Base interactions energy: -1216.325 where: short stacking energy: -541.904 Base-Backbone interact. energy: -0.312 local terms energy: -624.865601 where: bonds (distance) C4'-P energy: -126.923 bonds (distance) P-C4' energy: -119.605 flat angles C4'-P-C4' energy: -151.771 flat angles P-C4'-P energy: -95.817 tors. eta vs tors. theta energy: -130.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1358.992083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.992083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.992083 (E_RNA) where: Base-Base interactions energy: -835.053 where: short stacking energy: -422.913 Base-Backbone interact. energy: 3.816 local terms energy: -527.756053 where: bonds (distance) C4'-P energy: -126.614 bonds (distance) P-C4' energy: -103.889 flat angles C4'-P-C4' energy: -129.761 flat angles P-C4'-P energy: -76.364 tors. eta vs tors. theta energy: -91.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1289.532825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.532825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.532825 (E_RNA) where: Base-Base interactions energy: -796.257 where: short stacking energy: -376.877 Base-Backbone interact. energy: -0.283 local terms energy: -492.992037 where: bonds (distance) C4'-P energy: -129.501 bonds (distance) P-C4' energy: -124.375 flat angles C4'-P-C4' energy: -120.998 flat angles P-C4'-P energy: -71.662 tors. eta vs tors. theta energy: -46.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -1083.613841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.613841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.613841 (E_RNA) where: Base-Base interactions energy: -637.392 where: short stacking energy: -300.198 Base-Backbone interact. energy: -2.028 local terms energy: -446.915522 where: bonds (distance) C4'-P energy: -122.313 bonds (distance) P-C4' energy: -116.538 flat angles C4'-P-C4' energy: -109.158 flat angles P-C4'-P energy: -71.345 tors. eta vs tors. theta energy: -27.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 2.721 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -781.042079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.042079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.042079 (E_RNA) where: Base-Base interactions energy: -386.158 where: short stacking energy: -204.337 Base-Backbone interact. energy: 0.938 local terms energy: -395.821764 where: bonds (distance) C4'-P energy: -115.913 bonds (distance) P-C4' energy: -121.192 flat angles C4'-P-C4' energy: -103.961 flat angles P-C4'-P energy: -68.651 tors. eta vs tors. theta energy: 13.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2579.626545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.626545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.626545 (E_RNA) where: Base-Base interactions energy: -1785.281 where: short stacking energy: -753.492 Base-Backbone interact. energy: 0.155 local terms energy: -794.500865 where: bonds (distance) C4'-P energy: -151.344 bonds (distance) P-C4' energy: -156.328 flat angles C4'-P-C4' energy: -165.062 flat angles P-C4'-P energy: -103.023 tors. eta vs tors. theta energy: -218.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2357.692103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.692103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.692103 (E_RNA) where: Base-Base interactions energy: -1610.702 where: short stacking energy: -659.822 Base-Backbone interact. energy: -1.801 local terms energy: -745.188244 where: bonds (distance) C4'-P energy: -141.869 bonds (distance) P-C4' energy: -156.502 flat angles C4'-P-C4' energy: -158.206 flat angles P-C4'-P energy: -107.130 tors. eta vs tors. theta energy: -181.482 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: 8 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2284.367408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.367408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.367408 (E_RNA) where: Base-Base interactions energy: -1564.810 where: short stacking energy: -648.477 Base-Backbone interact. energy: 0.877 local terms energy: -720.433833 where: bonds (distance) C4'-P energy: -126.523 bonds (distance) P-C4' energy: -142.106 flat angles C4'-P-C4' energy: -166.430 flat angles P-C4'-P energy: -111.315 tors. eta vs tors. theta energy: -174.060 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: 6 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2149.643142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.643142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.643142 (E_RNA) where: Base-Base interactions energy: -1479.092 where: short stacking energy: -604.597 Base-Backbone interact. energy: -0.607 local terms energy: -669.944637 where: bonds (distance) C4'-P energy: -127.765 bonds (distance) P-C4' energy: -140.384 flat angles C4'-P-C4' energy: -143.187 flat angles P-C4'-P energy: -97.892 tors. eta vs tors. theta energy: -160.717 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: 3 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -2003.602192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.602192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.602192 (E_RNA) where: Base-Base interactions energy: -1371.973 where: short stacking energy: -599.392 Base-Backbone interact. energy: 3.039 local terms energy: -634.668508 where: bonds (distance) C4'-P energy: -122.792 bonds (distance) P-C4' energy: -110.840 flat angles C4'-P-C4' energy: -147.740 flat angles P-C4'-P energy: -90.858 tors. eta vs tors. theta energy: -162.439 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: 6, replica: 7 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1861.528744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.528744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.528744 (E_RNA) where: Base-Base interactions energy: -1283.429 where: short stacking energy: -573.388 Base-Backbone interact. energy: 0.648 local terms energy: -578.747038 where: bonds (distance) C4'-P energy: -115.304 bonds (distance) P-C4' energy: -116.316 flat angles C4'-P-C4' energy: -136.065 flat angles P-C4'-P energy: -84.325 tors. eta vs tors. theta energy: -126.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1458.265710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.265710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.265710 (E_RNA) where: Base-Base interactions energy: -906.286 where: short stacking energy: -430.513 Base-Backbone interact. energy: 3.785 local terms energy: -555.765299 where: bonds (distance) C4'-P energy: -120.087 bonds (distance) P-C4' energy: -135.079 flat angles C4'-P-C4' energy: -124.658 flat angles P-C4'-P energy: -72.126 tors. eta vs tors. theta energy: -103.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1385.347773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.347773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.347773 (E_RNA) where: Base-Base interactions energy: -857.596 where: short stacking energy: -409.804 Base-Backbone interact. energy: 7.933 local terms energy: -535.684403 where: bonds (distance) C4'-P energy: -118.557 bonds (distance) P-C4' energy: -126.654 flat angles C4'-P-C4' energy: -132.039 flat angles P-C4'-P energy: -72.520 tors. eta vs tors. theta energy: -85.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -1113.334012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.334012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.334012 (E_RNA) where: Base-Base interactions energy: -599.757 where: short stacking energy: -316.722 Base-Backbone interact. energy: 2.342 local terms energy: -518.303853 where: bonds (distance) C4'-P energy: -131.167 bonds (distance) P-C4' energy: -136.275 flat angles C4'-P-C4' energy: -131.748 flat angles P-C4'-P energy: -70.458 tors. eta vs tors. theta energy: -48.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 2.385 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -759.682849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.682849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.682849 (E_RNA) where: Base-Base interactions energy: -366.802 where: short stacking energy: -218.001 Base-Backbone interact. energy: 2.045 local terms energy: -394.925076 where: bonds (distance) C4'-P energy: -103.054 bonds (distance) P-C4' energy: -118.329 flat angles C4'-P-C4' energy: -93.964 flat angles P-C4'-P energy: -64.278 tors. eta vs tors. theta energy: -15.301 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: 2 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2515.927000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.927000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.927000 (E_RNA) where: Base-Base interactions energy: -1731.559 where: short stacking energy: -723.769 Base-Backbone interact. energy: -2.516 local terms energy: -781.851381 where: bonds (distance) C4'-P energy: -150.649 bonds (distance) P-C4' energy: -162.646 flat angles C4'-P-C4' energy: -167.167 flat angles P-C4'-P energy: -91.285 tors. eta vs tors. theta energy: -210.105 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: 2, replica: 4 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2359.085533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.085533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.085533 (E_RNA) where: Base-Base interactions energy: -1629.421 where: short stacking energy: -677.004 Base-Backbone interact. energy: 1.593 local terms energy: -731.256838 where: bonds (distance) C4'-P energy: -141.380 bonds (distance) P-C4' energy: -142.637 flat angles C4'-P-C4' energy: -158.343 flat angles P-C4'-P energy: -106.296 tors. eta vs tors. theta energy: -182.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2319.992130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.992130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.992130 (E_RNA) where: Base-Base interactions energy: -1619.643 where: short stacking energy: -702.667 Base-Backbone interact. energy: 0.221 local terms energy: -700.570943 where: bonds (distance) C4'-P energy: -125.825 bonds (distance) P-C4' energy: -134.649 flat angles C4'-P-C4' energy: -156.035 flat angles P-C4'-P energy: -104.609 tors. eta vs tors. theta energy: -179.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2165.172227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.172227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.172227 (E_RNA) where: Base-Base interactions energy: -1488.532 where: short stacking energy: -595.357 Base-Backbone interact. energy: -0.636 local terms energy: -676.004278 where: bonds (distance) C4'-P energy: -141.792 bonds (distance) P-C4' energy: -141.034 flat angles C4'-P-C4' energy: -135.985 flat angles P-C4'-P energy: -89.342 tors. eta vs tors. theta energy: -167.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2033.544486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.544486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.544486 (E_RNA) where: Base-Base interactions energy: -1394.426 where: short stacking energy: -588.415 Base-Backbone interact. energy: -2.341 local terms energy: -636.777125 where: bonds (distance) C4'-P energy: -116.023 bonds (distance) P-C4' energy: -111.134 flat angles C4'-P-C4' energy: -152.948 flat angles P-C4'-P energy: -96.090 tors. eta vs tors. theta energy: -160.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1899.527802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.527802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.527802 (E_RNA) where: Base-Base interactions energy: -1247.621 where: short stacking energy: -523.681 Base-Backbone interact. energy: -0.228 local terms energy: -651.678791 where: bonds (distance) C4'-P energy: -132.973 bonds (distance) P-C4' energy: -137.102 flat angles C4'-P-C4' energy: -139.271 flat angles P-C4'-P energy: -96.251 tors. eta vs tors. theta energy: -146.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1511.272036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.272036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.272036 (E_RNA) where: Base-Base interactions energy: -952.669 where: short stacking energy: -444.098 Base-Backbone interact. energy: 1.498 local terms energy: -560.101297 where: bonds (distance) C4'-P energy: -120.641 bonds (distance) P-C4' energy: -119.950 flat angles C4'-P-C4' energy: -134.893 flat angles P-C4'-P energy: -81.174 tors. eta vs tors. theta energy: -103.442 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: 8, replica: 1 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1324.610580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.610580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.610580 (E_RNA) where: Base-Base interactions energy: -807.016 where: short stacking energy: -390.779 Base-Backbone interact. energy: 3.004 local terms energy: -520.598563 where: bonds (distance) C4'-P energy: -123.343 bonds (distance) P-C4' energy: -137.834 flat angles C4'-P-C4' energy: -123.156 flat angles P-C4'-P energy: -73.335 tors. eta vs tors. theta energy: -62.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -1073.409668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.409668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.409668 (E_RNA) where: Base-Base interactions energy: -622.533 where: short stacking energy: -292.009 Base-Backbone interact. energy: 1.113 local terms energy: -451.989589 where: bonds (distance) C4'-P energy: -129.077 bonds (distance) P-C4' energy: -127.057 flat angles C4'-P-C4' energy: -99.017 flat angles P-C4'-P energy: -64.878 tors. eta vs tors. theta energy: -31.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -763.822151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.822151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.822151 (E_RNA) where: Base-Base interactions energy: -366.394 where: short stacking energy: -235.462 Base-Backbone interact. energy: 4.722 local terms energy: -402.150296 where: bonds (distance) C4'-P energy: -115.543 bonds (distance) P-C4' energy: -108.574 flat angles C4'-P-C4' energy: -103.899 flat angles P-C4'-P energy: -60.607 tors. eta vs tors. theta energy: -13.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2519.778524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.778524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.778524 (E_RNA) where: Base-Base interactions energy: -1709.934 where: short stacking energy: -713.043 Base-Backbone interact. energy: -3.981 local terms energy: -805.863324 where: bonds (distance) C4'-P energy: -145.656 bonds (distance) P-C4' energy: -158.741 flat angles C4'-P-C4' energy: -173.638 flat angles P-C4'-P energy: -111.551 tors. eta vs tors. theta energy: -216.278 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: 153 Temperature: 0.950000 Total energy: -2373.576773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.576773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.576773 (E_RNA) where: Base-Base interactions energy: -1637.177 where: short stacking energy: -683.191 Base-Backbone interact. energy: 1.736 local terms energy: -738.135197 where: bonds (distance) C4'-P energy: -146.906 bonds (distance) P-C4' energy: -146.323 flat angles C4'-P-C4' energy: -168.341 flat angles P-C4'-P energy: -94.983 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: 3, replica: 8 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2257.644214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.644214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.644214 (E_RNA) where: Base-Base interactions energy: -1536.499 where: short stacking energy: -676.688 Base-Backbone interact. energy: -3.656 local terms energy: -717.489542 where: bonds (distance) C4'-P energy: -136.545 bonds (distance) P-C4' energy: -129.160 flat angles C4'-P-C4' energy: -168.072 flat angles P-C4'-P energy: -104.329 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: 6 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2126.169535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.169535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.169535 (E_RNA) where: Base-Base interactions energy: -1469.298 where: short stacking energy: -594.900 Base-Backbone interact. energy: -3.564 local terms energy: -653.307913 where: bonds (distance) C4'-P energy: -116.869 bonds (distance) P-C4' energy: -137.831 flat angles C4'-P-C4' energy: -135.331 flat angles P-C4'-P energy: -111.017 tors. eta vs tors. theta energy: -152.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -2041.633682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.633682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.633682 (E_RNA) where: Base-Base interactions energy: -1406.640 where: short stacking energy: -569.453 Base-Backbone interact. energy: 0.653 local terms energy: -635.690767 where: bonds (distance) C4'-P energy: -100.711 bonds (distance) P-C4' energy: -146.498 flat angles C4'-P-C4' energy: -140.957 flat angles P-C4'-P energy: -80.746 tors. eta vs tors. theta energy: -166.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.045 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1842.167022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.167022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.167022 (E_RNA) where: Base-Base interactions energy: -1224.857 where: short stacking energy: -521.750 Base-Backbone interact. energy: -3.174 local terms energy: -614.136409 where: bonds (distance) C4'-P energy: -130.946 bonds (distance) P-C4' energy: -111.898 flat angles C4'-P-C4' energy: -148.964 flat angles P-C4'-P energy: -84.922 tors. eta vs tors. theta energy: -137.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1436.284083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.284083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.284083 (E_RNA) where: Base-Base interactions energy: -897.552 where: short stacking energy: -414.558 Base-Backbone interact. energy: 0.872 local terms energy: -539.604254 where: bonds (distance) C4'-P energy: -116.260 bonds (distance) P-C4' energy: -119.148 flat angles C4'-P-C4' energy: -128.852 flat angles P-C4'-P energy: -85.694 tors. eta vs tors. theta energy: -89.651 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: 8, replica: 1 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1280.831357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.831357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.831357 (E_RNA) where: Base-Base interactions energy: -770.855 where: short stacking energy: -351.485 Base-Backbone interact. energy: -1.957 local terms energy: -508.019612 where: bonds (distance) C4'-P energy: -122.115 bonds (distance) P-C4' energy: -137.836 flat angles C4'-P-C4' energy: -112.115 flat angles P-C4'-P energy: -79.065 tors. eta vs tors. theta energy: -56.889 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: 9 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -1059.614281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.614281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.614281 (E_RNA) where: Base-Base interactions energy: -621.004 where: short stacking energy: -302.694 Base-Backbone interact. energy: -2.095 local terms energy: -436.514884 where: bonds (distance) C4'-P energy: -120.002 bonds (distance) P-C4' energy: -137.027 flat angles C4'-P-C4' energy: -93.922 flat angles P-C4'-P energy: -59.058 tors. eta vs tors. theta energy: -26.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -764.258258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.258258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.258258 (E_RNA) where: Base-Base interactions energy: -366.570 where: short stacking energy: -215.089 Base-Backbone interact. energy: 5.593 local terms energy: -403.281644 where: bonds (distance) C4'-P energy: -111.978 bonds (distance) P-C4' energy: -127.234 flat angles C4'-P-C4' energy: -121.768 flat angles P-C4'-P energy: -50.720 tors. eta vs tors. theta energy: 8.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2514.351964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.351964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.351964 (E_RNA) where: Base-Base interactions energy: -1717.803 where: short stacking energy: -726.233 Base-Backbone interact. energy: -4.493 local terms energy: -792.056250 where: bonds (distance) C4'-P energy: -160.697 bonds (distance) P-C4' energy: -147.642 flat angles C4'-P-C4' energy: -167.462 flat angles P-C4'-P energy: -114.104 tors. eta vs tors. theta energy: -202.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2344.272176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.272176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.272176 (E_RNA) where: Base-Base interactions energy: -1633.268 where: short stacking energy: -690.574 Base-Backbone interact. energy: 2.756 local terms energy: -713.759483 where: bonds (distance) C4'-P energy: -140.003 bonds (distance) P-C4' energy: -156.122 flat angles C4'-P-C4' energy: -159.081 flat angles P-C4'-P energy: -97.857 tors. eta vs tors. theta energy: -160.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2271.147308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.147308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.147308 (E_RNA) where: Base-Base interactions energy: -1570.231 where: short stacking energy: -652.189 Base-Backbone interact. energy: 1.154 local terms energy: -702.070094 where: bonds (distance) C4'-P energy: -131.154 bonds (distance) P-C4' energy: -144.291 flat angles C4'-P-C4' energy: -150.753 flat angles P-C4'-P energy: -102.841 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: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2143.593621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.593621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.593621 (E_RNA) where: Base-Base interactions energy: -1449.927 where: short stacking energy: -588.019 Base-Backbone interact. energy: -0.516 local terms energy: -693.150590 where: bonds (distance) C4'-P energy: -126.143 bonds (distance) P-C4' energy: -159.250 flat angles C4'-P-C4' energy: -144.592 flat angles P-C4'-P energy: -97.150 tors. eta vs tors. theta energy: -166.016 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: 3 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -2045.949316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.949316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.949316 (E_RNA) where: Base-Base interactions energy: -1391.213 where: short stacking energy: -597.789 Base-Backbone interact. energy: -1.217 local terms energy: -654.499689 where: bonds (distance) C4'-P energy: -130.329 bonds (distance) P-C4' energy: -109.307 flat angles C4'-P-C4' energy: -148.895 flat angles P-C4'-P energy: -98.301 tors. eta vs tors. theta energy: -167.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.981 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1840.392382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.392382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.392382 (E_RNA) where: Base-Base interactions energy: -1210.984 where: short stacking energy: -519.583 Base-Backbone interact. energy: -2.492 local terms energy: -626.916534 where: bonds (distance) C4'-P energy: -117.073 bonds (distance) P-C4' energy: -143.925 flat angles C4'-P-C4' energy: -146.493 flat angles P-C4'-P energy: -93.640 tors. eta vs tors. theta energy: -125.785 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: 5 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1432.151208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.151208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.151208 (E_RNA) where: Base-Base interactions energy: -881.395 where: short stacking energy: -389.819 Base-Backbone interact. energy: -3.393 local terms energy: -547.363910 where: bonds (distance) C4'-P energy: -123.926 bonds (distance) P-C4' energy: -128.312 flat angles C4'-P-C4' energy: -130.324 flat angles P-C4'-P energy: -88.740 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: 154 Temperature: 1.250000 Total energy: -1310.372789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.372789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.372789 (E_RNA) where: Base-Base interactions energy: -811.202 where: short stacking energy: -381.514 Base-Backbone interact. energy: 3.629 local terms energy: -502.799177 where: bonds (distance) C4'-P energy: -108.328 bonds (distance) P-C4' energy: -124.797 flat angles C4'-P-C4' energy: -109.973 flat angles P-C4'-P energy: -85.238 tors. eta vs tors. theta energy: -74.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -1102.164479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.164479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.164479 (E_RNA) where: Base-Base interactions energy: -653.987 where: short stacking energy: -339.920 Base-Backbone interact. energy: 8.704 local terms energy: -456.881545 where: bonds (distance) C4'-P energy: -109.717 bonds (distance) P-C4' energy: -102.497 flat angles C4'-P-C4' energy: -143.882 flat angles P-C4'-P energy: -68.836 tors. eta vs tors. theta energy: -31.949 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: 10, replica: 10 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -734.281142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.281142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.281142 (E_RNA) where: Base-Base interactions energy: -356.240 where: short stacking energy: -208.691 Base-Backbone interact. energy: 2.101 local terms energy: -380.142020 where: bonds (distance) C4'-P energy: -118.616 bonds (distance) P-C4' energy: -115.413 flat angles C4'-P-C4' energy: -98.191 flat angles P-C4'-P energy: -66.859 tors. eta vs tors. theta energy: 18.937 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: 2 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2538.770729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.770729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.770729 (E_RNA) where: Base-Base interactions energy: -1763.617 where: short stacking energy: -731.488 Base-Backbone interact. energy: -1.240 local terms energy: -773.912854 where: bonds (distance) C4'-P energy: -131.863 bonds (distance) P-C4' energy: -146.658 flat angles C4'-P-C4' energy: -164.484 flat angles P-C4'-P energy: -113.371 tors. eta vs tors. theta energy: -217.537 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: 4 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2328.287345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.287345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.287345 (E_RNA) where: Base-Base interactions energy: -1640.858 where: short stacking energy: -654.340 Base-Backbone interact. energy: 1.295 local terms energy: -688.724169 where: bonds (distance) C4'-P energy: -135.077 bonds (distance) P-C4' energy: -141.932 flat angles C4'-P-C4' energy: -152.281 flat angles P-C4'-P energy: -96.859 tors. eta vs tors. theta energy: -162.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2298.747539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.747539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.747539 (E_RNA) where: Base-Base interactions energy: -1558.384 where: short stacking energy: -675.669 Base-Backbone interact. energy: -2.854 local terms energy: -737.509592 where: bonds (distance) C4'-P energy: -139.817 bonds (distance) P-C4' energy: -142.776 flat angles C4'-P-C4' energy: -163.741 flat angles P-C4'-P energy: -100.385 tors. eta vs tors. theta energy: -190.790 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: 4, replica: 3 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -2060.312056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.312056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.312056 (E_RNA) where: Base-Base interactions energy: -1367.000 where: short stacking energy: -577.773 Base-Backbone interact. energy: -0.322 local terms energy: -694.115866 where: bonds (distance) C4'-P energy: -140.875 bonds (distance) P-C4' energy: -138.198 flat angles C4'-P-C4' energy: -157.332 flat angles P-C4'-P energy: -92.833 tors. eta vs tors. theta energy: -164.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.126 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -2058.733384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.733384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.733384 (E_RNA) where: Base-Base interactions energy: -1400.083 where: short stacking energy: -550.637 Base-Backbone interact. energy: 3.489 local terms energy: -662.138993 where: bonds (distance) C4'-P energy: -125.729 bonds (distance) P-C4' energy: -132.179 flat angles C4'-P-C4' energy: -160.444 flat angles P-C4'-P energy: -104.685 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: 7 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1877.232271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.232271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.232271 (E_RNA) where: Base-Base interactions energy: -1251.049 where: short stacking energy: -520.111 Base-Backbone interact. energy: -6.152 local terms energy: -620.031242 where: bonds (distance) C4'-P energy: -113.517 bonds (distance) P-C4' energy: -144.734 flat angles C4'-P-C4' energy: -142.254 flat angles P-C4'-P energy: -86.745 tors. eta vs tors. theta energy: -132.781 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: 5 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1423.350201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.350201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.350201 (E_RNA) where: Base-Base interactions energy: -882.427 where: short stacking energy: -418.080 Base-Backbone interact. energy: -1.330 local terms energy: -539.593876 where: bonds (distance) C4'-P energy: -119.374 bonds (distance) P-C4' energy: -136.307 flat angles C4'-P-C4' energy: -118.166 flat angles P-C4'-P energy: -78.416 tors. eta vs tors. theta energy: -87.332 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: 155 Temperature: 1.250000 Total energy: -1254.298053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.298053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.298053 (E_RNA) where: Base-Base interactions energy: -761.342 where: short stacking energy: -372.087 Base-Backbone interact. energy: -2.878 local terms energy: -490.078469 where: bonds (distance) C4'-P energy: -111.611 bonds (distance) P-C4' energy: -109.845 flat angles C4'-P-C4' energy: -123.697 flat angles P-C4'-P energy: -81.698 tors. eta vs tors. theta energy: -63.228 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: 9 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -1111.078969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.078969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.078969 (E_RNA) where: Base-Base interactions energy: -661.681 where: short stacking energy: -317.266 Base-Backbone interact. energy: -3.614 local terms energy: -445.783445 where: bonds (distance) C4'-P energy: -115.597 bonds (distance) P-C4' energy: -111.689 flat angles C4'-P-C4' energy: -118.090 flat angles P-C4'-P energy: -60.784 tors. eta vs tors. theta energy: -39.624 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: 10, replica: 10 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -823.214566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.214566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.214566 (E_RNA) where: Base-Base interactions energy: -393.508 where: short stacking energy: -227.474 Base-Backbone interact. energy: 6.790 local terms energy: -436.496134 where: bonds (distance) C4'-P energy: -137.397 bonds (distance) P-C4' energy: -134.246 flat angles C4'-P-C4' energy: -100.473 flat angles P-C4'-P energy: -61.054 tors. eta vs tors. theta energy: -3.326 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: 1, replica: 2 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2505.920409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.920409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.920409 (E_RNA) where: Base-Base interactions energy: -1722.012 where: short stacking energy: -728.069 Base-Backbone interact. energy: -2.007 local terms energy: -781.901637 where: bonds (distance) C4'-P energy: -159.417 bonds (distance) P-C4' energy: -151.647 flat angles C4'-P-C4' energy: -157.471 flat angles P-C4'-P energy: -100.630 tors. eta vs tors. theta energy: -212.738 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: 4 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2300.872583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.872583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.872583 (E_RNA) where: Base-Base interactions energy: -1563.983 where: short stacking energy: -665.744 Base-Backbone interact. energy: 0.423 local terms energy: -737.312687 where: bonds (distance) C4'-P energy: -138.237 bonds (distance) P-C4' energy: -161.867 flat angles C4'-P-C4' energy: -166.377 flat angles P-C4'-P energy: -96.497 tors. eta vs tors. theta energy: -174.335 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: 8 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2321.476507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.476507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.476507 (E_RNA) where: Base-Base interactions energy: -1560.528 where: short stacking energy: -689.044 Base-Backbone interact. energy: -1.723 local terms energy: -759.226119 where: bonds (distance) C4'-P energy: -142.180 bonds (distance) P-C4' energy: -149.083 flat angles C4'-P-C4' energy: -162.422 flat angles P-C4'-P energy: -111.530 tors. eta vs tors. theta energy: -194.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2043.176801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.176801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.176801 (E_RNA) where: Base-Base interactions energy: -1357.644 where: short stacking energy: -616.413 Base-Backbone interact. energy: 3.684 local terms energy: -689.953396 where: bonds (distance) C4'-P energy: -129.955 bonds (distance) P-C4' energy: -142.570 flat angles C4'-P-C4' energy: -138.961 flat angles P-C4'-P energy: -103.456 tors. eta vs tors. theta energy: -175.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.737 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2042.822739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.822739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.822739 (E_RNA) where: Base-Base interactions energy: -1391.656 where: short stacking energy: -595.953 Base-Backbone interact. energy: 0.248 local terms energy: -651.414173 where: bonds (distance) C4'-P energy: -137.332 bonds (distance) P-C4' energy: -135.968 flat angles C4'-P-C4' energy: -139.893 flat angles P-C4'-P energy: -83.459 tors. eta vs tors. theta energy: -154.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1872.869131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.869131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.869131 (E_RNA) where: Base-Base interactions energy: -1264.187 where: short stacking energy: -539.467 Base-Backbone interact. energy: -3.915 local terms energy: -604.767592 where: bonds (distance) C4'-P energy: -111.488 bonds (distance) P-C4' energy: -135.464 flat angles C4'-P-C4' energy: -132.184 flat angles P-C4'-P energy: -75.622 tors. eta vs tors. theta energy: -150.010 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: 5 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1386.023788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.023788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.023788 (E_RNA) where: Base-Base interactions energy: -843.228 where: short stacking energy: -414.535 Base-Backbone interact. energy: 0.904 local terms energy: -543.699467 where: bonds (distance) C4'-P energy: -137.124 bonds (distance) P-C4' energy: -118.150 flat angles C4'-P-C4' energy: -129.245 flat angles P-C4'-P energy: -85.725 tors. eta vs tors. theta energy: -73.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1274.373171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.373171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.373171 (E_RNA) where: Base-Base interactions energy: -742.039 where: short stacking energy: -374.866 Base-Backbone interact. energy: 5.525 local terms energy: -539.671973 where: bonds (distance) C4'-P energy: -133.702 bonds (distance) P-C4' energy: -115.705 flat angles C4'-P-C4' energy: -128.743 flat angles P-C4'-P energy: -93.541 tors. eta vs tors. theta energy: -67.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.812 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -1240.521905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.521905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.521905 (E_RNA) where: Base-Base interactions energy: -765.668 where: short stacking energy: -368.877 Base-Backbone interact. energy: -2.018 local terms energy: -472.835673 where: bonds (distance) C4'-P energy: -119.403 bonds (distance) P-C4' energy: -114.226 flat angles C4'-P-C4' energy: -115.430 flat angles P-C4'-P energy: -55.494 tors. eta vs tors. theta energy: -68.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -870.708491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.708491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.708491 (E_RNA) where: Base-Base interactions energy: -466.091 where: short stacking energy: -246.720 Base-Backbone interact. energy: -3.552 local terms energy: -401.065038 where: bonds (distance) C4'-P energy: -102.534 bonds (distance) P-C4' energy: -118.943 flat angles C4'-P-C4' energy: -113.981 flat angles P-C4'-P energy: -64.967 tors. eta vs tors. theta energy: -0.640 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: 1, replica: 2 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2536.073040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.073040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.073040 (E_RNA) where: Base-Base interactions energy: -1745.460 where: short stacking energy: -740.476 Base-Backbone interact. energy: -1.951 local terms energy: -788.662863 where: bonds (distance) C4'-P energy: -148.235 bonds (distance) P-C4' energy: -146.719 flat angles C4'-P-C4' energy: -165.881 flat angles P-C4'-P energy: -112.960 tors. eta vs tors. theta energy: -214.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2331.855197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.855197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.855197 (E_RNA) where: Base-Base interactions energy: -1576.215 where: short stacking energy: -639.408 Base-Backbone interact. energy: 2.737 local terms energy: -758.377290 where: bonds (distance) C4'-P energy: -163.256 bonds (distance) P-C4' energy: -142.271 flat angles C4'-P-C4' energy: -162.238 flat angles P-C4'-P energy: -112.934 tors. eta vs tors. theta energy: -177.678 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: 8 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2329.554367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.554367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.554367 (E_RNA) where: Base-Base interactions energy: -1577.447 where: short stacking energy: -693.579 Base-Backbone interact. energy: -2.034 local terms energy: -750.074110 where: bonds (distance) C4'-P energy: -143.453 bonds (distance) P-C4' energy: -147.957 flat angles C4'-P-C4' energy: -157.017 flat angles P-C4'-P energy: -118.548 tors. eta vs tors. theta energy: -183.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2172.793703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.793703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.793703 (E_RNA) where: Base-Base interactions energy: -1484.540 where: short stacking energy: -604.678 Base-Backbone interact. energy: -0.564 local terms energy: -687.690398 where: bonds (distance) C4'-P energy: -124.333 bonds (distance) P-C4' energy: -148.905 flat angles C4'-P-C4' energy: -145.288 flat angles P-C4'-P energy: -100.469 tors. eta vs tors. theta energy: -168.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1997.285283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.285283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.285283 (E_RNA) where: Base-Base interactions energy: -1307.428 where: short stacking energy: -621.279 Base-Backbone interact. energy: -1.075 local terms energy: -688.782737 where: bonds (distance) C4'-P energy: -123.434 bonds (distance) P-C4' energy: -153.088 flat angles C4'-P-C4' energy: -150.102 flat angles P-C4'-P energy: -98.736 tors. eta vs tors. theta energy: -163.422 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: 6, replica: 7 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1912.951878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.951878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.951878 (E_RNA) where: Base-Base interactions energy: -1281.343 where: short stacking energy: -563.119 Base-Backbone interact. energy: -3.678 local terms energy: -627.930629 where: bonds (distance) C4'-P energy: -121.040 bonds (distance) P-C4' energy: -122.746 flat angles C4'-P-C4' energy: -140.536 flat angles P-C4'-P energy: -98.086 tors. eta vs tors. theta energy: -145.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1432.195004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.195004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.195004 (E_RNA) where: Base-Base interactions energy: -894.551 where: short stacking energy: -443.702 Base-Backbone interact. energy: -2.181 local terms energy: -535.463521 where: bonds (distance) C4'-P energy: -99.086 bonds (distance) P-C4' energy: -118.281 flat angles C4'-P-C4' energy: -137.520 flat angles P-C4'-P energy: -86.906 tors. eta vs tors. theta energy: -93.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1473.603205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.603205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.603205 (E_RNA) where: Base-Base interactions energy: -925.753 where: short stacking energy: -399.524 Base-Backbone interact. energy: 0.942 local terms energy: -548.792120 where: bonds (distance) C4'-P energy: -135.358 bonds (distance) P-C4' energy: -138.922 flat angles C4'-P-C4' energy: -122.558 flat angles P-C4'-P energy: -57.368 tors. eta vs tors. theta energy: -94.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -1193.214676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.214676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.214676 (E_RNA) where: Base-Base interactions energy: -734.007 where: short stacking energy: -350.101 Base-Backbone interact. energy: 5.459 local terms energy: -464.666994 where: bonds (distance) C4'-P energy: -105.327 bonds (distance) P-C4' energy: -120.137 flat angles C4'-P-C4' energy: -113.210 flat angles P-C4'-P energy: -65.637 tors. eta vs tors. theta energy: -60.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -887.398461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.398461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.398461 (E_RNA) where: Base-Base interactions energy: -477.711 where: short stacking energy: -280.927 Base-Backbone interact. energy: -1.652 local terms energy: -408.034891 where: bonds (distance) C4'-P energy: -95.019 bonds (distance) P-C4' energy: -138.524 flat angles C4'-P-C4' energy: -91.525 flat angles P-C4'-P energy: -49.588 tors. eta vs tors. theta energy: -33.378 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: 2 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2547.704301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.704301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.704301 (E_RNA) where: Base-Base interactions energy: -1763.560 where: short stacking energy: -739.546 Base-Backbone interact. energy: -3.513 local terms energy: -780.631521 where: bonds (distance) C4'-P energy: -136.379 bonds (distance) P-C4' energy: -154.644 flat angles C4'-P-C4' energy: -173.181 flat angles P-C4'-P energy: -102.743 tors. eta vs tors. theta energy: -213.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2329.932529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.932529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.932529 (E_RNA) where: Base-Base interactions energy: -1626.208 where: short stacking energy: -652.354 Base-Backbone interact. energy: 4.416 local terms energy: -708.140355 where: bonds (distance) C4'-P energy: -134.450 bonds (distance) P-C4' energy: -152.575 flat angles C4'-P-C4' energy: -156.513 flat angles P-C4'-P energy: -97.034 tors. eta vs tors. theta energy: -167.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2308.526844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.526844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.526844 (E_RNA) where: Base-Base interactions energy: -1574.076 where: short stacking energy: -655.835 Base-Backbone interact. energy: 2.141 local terms energy: -736.591804 where: bonds (distance) C4'-P energy: -147.903 bonds (distance) P-C4' energy: -153.939 flat angles C4'-P-C4' energy: -151.053 flat angles P-C4'-P energy: -109.316 tors. eta vs tors. theta energy: -174.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2212.789738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.789738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.789738 (E_RNA) where: Base-Base interactions energy: -1489.034 where: short stacking energy: -612.807 Base-Backbone interact. energy: -1.183 local terms energy: -722.572960 where: bonds (distance) C4'-P energy: -133.997 bonds (distance) P-C4' energy: -147.531 flat angles C4'-P-C4' energy: -152.582 flat angles P-C4'-P energy: -108.277 tors. eta vs tors. theta energy: -180.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1985.529404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.529404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.529404 (E_RNA) where: Base-Base interactions energy: -1350.292 where: short stacking energy: -598.616 Base-Backbone interact. energy: -2.113 local terms energy: -633.124946 where: bonds (distance) C4'-P energy: -130.693 bonds (distance) P-C4' energy: -121.305 flat angles C4'-P-C4' energy: -141.790 flat angles P-C4'-P energy: -76.826 tors. eta vs tors. theta energy: -162.510 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: 7 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1854.630876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.630876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.630876 (E_RNA) where: Base-Base interactions energy: -1203.330 where: short stacking energy: -535.516 Base-Backbone interact. energy: -1.949 local terms energy: -649.352833 where: bonds (distance) C4'-P energy: -116.220 bonds (distance) P-C4' energy: -139.316 flat angles C4'-P-C4' energy: -158.056 flat angles P-C4'-P energy: -91.451 tors. eta vs tors. theta energy: -144.309 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: 9 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1543.208083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.208083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.208083 (E_RNA) where: Base-Base interactions energy: -964.133 where: short stacking energy: -458.346 Base-Backbone interact. energy: 4.856 local terms energy: -583.930210 where: bonds (distance) C4'-P energy: -127.793 bonds (distance) P-C4' energy: -148.695 flat angles C4'-P-C4' energy: -126.448 flat angles P-C4'-P energy: -77.495 tors. eta vs tors. theta energy: -103.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1391.705453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.705453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.705453 (E_RNA) where: Base-Base interactions energy: -881.360 where: short stacking energy: -405.159 Base-Backbone interact. energy: 0.571 local terms energy: -510.916585 where: bonds (distance) C4'-P energy: -117.283 bonds (distance) P-C4' energy: -119.510 flat angles C4'-P-C4' energy: -125.301 flat angles P-C4'-P energy: -68.062 tors. eta vs tors. theta energy: -80.761 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: 9, replica: 1 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -1207.303413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.303413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.303413 (E_RNA) where: Base-Base interactions energy: -700.283 where: short stacking energy: -328.433 Base-Backbone interact. energy: -3.062 local terms energy: -503.958462 where: bonds (distance) C4'-P energy: -115.449 bonds (distance) P-C4' energy: -129.814 flat angles C4'-P-C4' energy: -127.872 flat angles P-C4'-P energy: -72.251 tors. eta vs tors. theta energy: -58.572 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: 158 Temperature: 1.350000 Total energy: -870.653668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.653668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.653668 (E_RNA) where: Base-Base interactions energy: -464.536 where: short stacking energy: -252.844 Base-Backbone interact. energy: 8.599 local terms energy: -414.717133 where: bonds (distance) C4'-P energy: -123.490 bonds (distance) P-C4' energy: -120.308 flat angles C4'-P-C4' energy: -85.400 flat angles P-C4'-P energy: -72.987 tors. eta vs tors. theta energy: -12.532 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: 2 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2557.766754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.766754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.766754 (E_RNA) where: Base-Base interactions energy: -1761.506 where: short stacking energy: -743.131 Base-Backbone interact. energy: -1.246 local terms energy: -795.014647 where: bonds (distance) C4'-P energy: -135.269 bonds (distance) P-C4' energy: -153.181 flat angles C4'-P-C4' energy: -173.229 flat angles P-C4'-P energy: -106.056 tors. eta vs tors. theta energy: -227.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2352.602628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.602628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.602628 (E_RNA) where: Base-Base interactions energy: -1635.233 where: short stacking energy: -661.820 Base-Backbone interact. energy: 2.033 local terms energy: -719.403214 where: bonds (distance) C4'-P energy: -141.165 bonds (distance) P-C4' energy: -142.228 flat angles C4'-P-C4' energy: -156.767 flat angles P-C4'-P energy: -109.987 tors. eta vs tors. theta energy: -169.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2332.403258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.403258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.403258 (E_RNA) where: Base-Base interactions energy: -1587.896 where: short stacking energy: -685.885 Base-Backbone interact. energy: 0.166 local terms energy: -744.673338 where: bonds (distance) C4'-P energy: -140.165 bonds (distance) P-C4' energy: -141.210 flat angles C4'-P-C4' energy: -170.202 flat angles P-C4'-P energy: -108.194 tors. eta vs tors. theta energy: -184.902 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: 6 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2150.540659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.540659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.540659 (E_RNA) where: Base-Base interactions energy: -1461.110 where: short stacking energy: -611.940 Base-Backbone interact. energy: -1.364 local terms energy: -688.066907 where: bonds (distance) C4'-P energy: -129.197 bonds (distance) P-C4' energy: -142.002 flat angles C4'-P-C4' energy: -144.228 flat angles P-C4'-P energy: -106.377 tors. eta vs tors. theta energy: -166.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1888.920750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.920750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.920750 (E_RNA) where: Base-Base interactions energy: -1212.856 where: short stacking energy: -541.428 Base-Backbone interact. energy: 1.144 local terms energy: -677.710619 where: bonds (distance) C4'-P energy: -128.107 bonds (distance) P-C4' energy: -152.223 flat angles C4'-P-C4' energy: -149.607 flat angles P-C4'-P energy: -94.845 tors. eta vs tors. theta energy: -152.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.502 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1874.394234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.394234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.394234 (E_RNA) where: Base-Base interactions energy: -1244.440 where: short stacking energy: -536.905 Base-Backbone interact. energy: -2.917 local terms energy: -627.037324 where: bonds (distance) C4'-P energy: -137.048 bonds (distance) P-C4' energy: -133.414 flat angles C4'-P-C4' energy: -142.716 flat angles P-C4'-P energy: -75.397 tors. eta vs tors. theta energy: -138.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1527.899894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.899894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.899894 (E_RNA) where: Base-Base interactions energy: -988.335 where: short stacking energy: -470.516 Base-Backbone interact. energy: -2.777 local terms energy: -536.788331 where: bonds (distance) C4'-P energy: -133.518 bonds (distance) P-C4' energy: -122.805 flat angles C4'-P-C4' energy: -119.889 flat angles P-C4'-P energy: -60.266 tors. eta vs tors. theta energy: -100.310 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: 8, replica: 5 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1391.327522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.327522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.327522 (E_RNA) where: Base-Base interactions energy: -865.873 where: short stacking energy: -409.769 Base-Backbone interact. energy: 0.356 local terms energy: -525.810742 where: bonds (distance) C4'-P energy: -121.446 bonds (distance) P-C4' energy: -114.456 flat angles C4'-P-C4' energy: -129.683 flat angles P-C4'-P energy: -83.078 tors. eta vs tors. theta energy: -77.147 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: 1 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -1171.692920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.692920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.692920 (E_RNA) where: Base-Base interactions energy: -696.986 where: short stacking energy: -348.321 Base-Backbone interact. energy: -1.108 local terms energy: -474.866363 where: bonds (distance) C4'-P energy: -117.422 bonds (distance) P-C4' energy: -131.470 flat angles C4'-P-C4' energy: -111.867 flat angles P-C4'-P energy: -64.111 tors. eta vs tors. theta energy: -49.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.268 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -724.166950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.166950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.166950 (E_RNA) where: Base-Base interactions energy: -334.052 where: short stacking energy: -194.298 Base-Backbone interact. energy: -2.229 local terms energy: -387.886470 where: bonds (distance) C4'-P energy: -108.444 bonds (distance) P-C4' energy: -118.606 flat angles C4'-P-C4' energy: -99.720 flat angles P-C4'-P energy: -74.350 tors. eta vs tors. theta energy: 13.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2561.108954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.108954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.108954 (E_RNA) where: Base-Base interactions energy: -1751.683 where: short stacking energy: -741.510 Base-Backbone interact. energy: 0.858 local terms energy: -810.284244 where: bonds (distance) C4'-P energy: -140.448 bonds (distance) P-C4' energy: -153.305 flat angles C4'-P-C4' energy: -178.988 flat angles P-C4'-P energy: -128.876 tors. eta vs tors. theta energy: -208.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2394.123929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.123929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.123929 (E_RNA) where: Base-Base interactions energy: -1662.853 where: short stacking energy: -698.154 Base-Backbone interact. energy: -3.312 local terms energy: -727.959004 where: bonds (distance) C4'-P energy: -139.289 bonds (distance) P-C4' energy: -149.067 flat angles C4'-P-C4' energy: -163.011 flat angles P-C4'-P energy: -100.062 tors. eta vs tors. theta energy: -176.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2333.416760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.416760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.416760 (E_RNA) where: Base-Base interactions energy: -1587.025 where: short stacking energy: -665.393 Base-Backbone interact. energy: 1.117 local terms energy: -747.509057 where: bonds (distance) C4'-P energy: -132.568 bonds (distance) P-C4' energy: -147.156 flat angles C4'-P-C4' energy: -157.833 flat angles P-C4'-P energy: -121.633 tors. eta vs tors. theta energy: -188.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2143.678024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.678024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.678024 (E_RNA) where: Base-Base interactions energy: -1443.384 where: short stacking energy: -561.919 Base-Backbone interact. energy: -0.894 local terms energy: -699.400306 where: bonds (distance) C4'-P energy: -151.664 bonds (distance) P-C4' energy: -147.357 flat angles C4'-P-C4' energy: -155.858 flat angles P-C4'-P energy: -94.241 tors. eta vs tors. theta energy: -150.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1897.291067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.291067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.291067 (E_RNA) where: Base-Base interactions energy: -1237.331 where: short stacking energy: -551.176 Base-Backbone interact. energy: -1.709 local terms energy: -658.251242 where: bonds (distance) C4'-P energy: -122.089 bonds (distance) P-C4' energy: -151.394 flat angles C4'-P-C4' energy: -146.156 flat angles P-C4'-P energy: -95.884 tors. eta vs tors. theta energy: -142.728 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: 7 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1855.324547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.324547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.324547 (E_RNA) where: Base-Base interactions energy: -1214.137 where: short stacking energy: -543.639 Base-Backbone interact. energy: 1.949 local terms energy: -643.136341 where: bonds (distance) C4'-P energy: -129.863 bonds (distance) P-C4' energy: -133.750 flat angles C4'-P-C4' energy: -149.005 flat angles P-C4'-P energy: -89.261 tors. eta vs tors. theta energy: -141.258 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: 5 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1503.855664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.855664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.855664 (E_RNA) where: Base-Base interactions energy: -942.760 where: short stacking energy: -442.296 Base-Backbone interact. energy: -1.378 local terms energy: -559.717225 where: bonds (distance) C4'-P energy: -138.972 bonds (distance) P-C4' energy: -117.285 flat angles C4'-P-C4' energy: -114.963 flat angles P-C4'-P energy: -95.768 tors. eta vs tors. theta energy: -92.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1513.038732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.038732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.038732 (E_RNA) where: Base-Base interactions energy: -932.034 where: short stacking energy: -403.260 Base-Backbone interact. energy: 1.088 local terms energy: -582.092275 where: bonds (distance) C4'-P energy: -109.800 bonds (distance) P-C4' energy: -139.401 flat angles C4'-P-C4' energy: -152.688 flat angles P-C4'-P energy: -91.138 tors. eta vs tors. theta energy: -89.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -1204.127845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.127845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.127845 (E_RNA) where: Base-Base interactions energy: -733.509 where: short stacking energy: -342.601 Base-Backbone interact. energy: -4.497 local terms energy: -466.121867 where: bonds (distance) C4'-P energy: -116.154 bonds (distance) P-C4' energy: -133.260 flat angles C4'-P-C4' energy: -114.374 flat angles P-C4'-P energy: -69.446 tors. eta vs tors. theta energy: -32.888 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: 10 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -747.624828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.624828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.624828 (E_RNA) where: Base-Base interactions energy: -335.057 where: short stacking energy: -208.981 Base-Backbone interact. energy: 10.325 local terms energy: -422.892793 where: bonds (distance) C4'-P energy: -123.823 bonds (distance) P-C4' energy: -145.622 flat angles C4'-P-C4' energy: -103.204 flat angles P-C4'-P energy: -68.417 tors. eta vs tors. theta energy: 18.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2560.759554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.759554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.759554 (E_RNA) where: Base-Base interactions energy: -1759.450 where: short stacking energy: -752.722 Base-Backbone interact. energy: -2.293 local terms energy: -799.017182 where: bonds (distance) C4'-P energy: -133.317 bonds (distance) P-C4' energy: -156.700 flat angles C4'-P-C4' energy: -179.313 flat angles P-C4'-P energy: -120.800 tors. eta vs tors. theta energy: -208.886 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: 2, replica: 4 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2351.832715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.832715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.832715 (E_RNA) where: Base-Base interactions energy: -1643.713 where: short stacking energy: -649.528 Base-Backbone interact. energy: -3.159 local terms energy: -704.960126 where: bonds (distance) C4'-P energy: -134.398 bonds (distance) P-C4' energy: -152.937 flat angles C4'-P-C4' energy: -163.492 flat angles P-C4'-P energy: -99.941 tors. eta vs tors. theta energy: -154.193 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: 8 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2339.798220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.798220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.798220 (E_RNA) where: Base-Base interactions energy: -1582.987 where: short stacking energy: -643.148 Base-Backbone interact. energy: -4.248 local terms energy: -753.777463 where: bonds (distance) C4'-P energy: -157.815 bonds (distance) P-C4' energy: -152.673 flat angles C4'-P-C4' energy: -159.805 flat angles P-C4'-P energy: -99.227 tors. eta vs tors. theta energy: -184.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.214 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2127.900629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.900629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.900629 (E_RNA) where: Base-Base interactions energy: -1456.052 where: short stacking energy: -614.116 Base-Backbone interact. energy: -0.842 local terms energy: -671.006496 where: bonds (distance) C4'-P energy: -117.481 bonds (distance) P-C4' energy: -152.455 flat angles C4'-P-C4' energy: -154.595 flat angles P-C4'-P energy: -83.155 tors. eta vs tors. theta energy: -163.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1960.617767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.617767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.617767 (E_RNA) where: Base-Base interactions energy: -1268.721 where: short stacking energy: -560.724 Base-Backbone interact. energy: 1.167 local terms energy: -693.569835 where: bonds (distance) C4'-P energy: -132.124 bonds (distance) P-C4' energy: -153.091 flat angles C4'-P-C4' energy: -164.620 flat angles P-C4'-P energy: -101.086 tors. eta vs tors. theta energy: -142.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.506 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1852.961463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.961463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.961463 (E_RNA) where: Base-Base interactions energy: -1218.200 where: short stacking energy: -540.653 Base-Backbone interact. energy: -2.298 local terms energy: -632.463135 where: bonds (distance) C4'-P energy: -128.746 bonds (distance) P-C4' energy: -142.401 flat angles C4'-P-C4' energy: -126.998 flat angles P-C4'-P energy: -95.586 tors. eta vs tors. theta energy: -138.732 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: 5 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1528.846297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.846297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.846297 (E_RNA) where: Base-Base interactions energy: -983.675 where: short stacking energy: -446.958 Base-Backbone interact. energy: -0.014 local terms energy: -545.156877 where: bonds (distance) C4'-P energy: -119.302 bonds (distance) P-C4' energy: -137.976 flat angles C4'-P-C4' energy: -118.521 flat angles P-C4'-P energy: -75.619 tors. eta vs tors. theta energy: -93.739 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: 8, replica: 9 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1508.120837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.120837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.120837 (E_RNA) where: Base-Base interactions energy: -969.271 where: short stacking energy: -446.427 Base-Backbone interact. energy: -1.201 local terms energy: -537.647943 where: bonds (distance) C4'-P energy: -118.002 bonds (distance) P-C4' energy: -131.162 flat angles C4'-P-C4' energy: -123.638 flat angles P-C4'-P energy: -64.716 tors. eta vs tors. theta energy: -100.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -1179.334888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.334888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.334888 (E_RNA) where: Base-Base interactions energy: -719.243 where: short stacking energy: -337.659 Base-Backbone interact. energy: -0.983 local terms energy: -459.108894 where: bonds (distance) C4'-P energy: -112.016 bonds (distance) P-C4' energy: -127.521 flat angles C4'-P-C4' energy: -118.566 flat angles P-C4'-P energy: -58.507 tors. eta vs tors. theta energy: -42.498 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: 161 Temperature: 1.350000 Total energy: -780.773732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.773732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.773732 (E_RNA) where: Base-Base interactions energy: -359.761 where: short stacking energy: -222.211 Base-Backbone interact. energy: 4.028 local terms energy: -425.040366 where: bonds (distance) C4'-P energy: -115.383 bonds (distance) P-C4' energy: -135.300 flat angles C4'-P-C4' energy: -110.588 flat angles P-C4'-P energy: -59.012 tors. eta vs tors. theta energy: -4.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2582.711954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.711954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.711954 (E_RNA) where: Base-Base interactions energy: -1791.325 where: short stacking energy: -759.185 Base-Backbone interact. energy: 4.322 local terms energy: -795.709470 where: bonds (distance) C4'-P energy: -140.640 bonds (distance) P-C4' energy: -160.695 flat angles C4'-P-C4' energy: -178.797 flat angles P-C4'-P energy: -107.217 tors. eta vs tors. theta energy: -208.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2337.153014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.153014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.153014 (E_RNA) where: Base-Base interactions energy: -1612.426 where: short stacking energy: -663.036 Base-Backbone interact. energy: 1.965 local terms energy: -726.692250 where: bonds (distance) C4'-P energy: -151.318 bonds (distance) P-C4' energy: -149.133 flat angles C4'-P-C4' energy: -165.987 flat angles P-C4'-P energy: -88.204 tors. eta vs tors. theta energy: -172.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2358.091126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.091126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.091126 (E_RNA) where: Base-Base interactions energy: -1613.854 where: short stacking energy: -668.720 Base-Backbone interact. energy: 0.786 local terms energy: -745.022658 where: bonds (distance) C4'-P energy: -143.258 bonds (distance) P-C4' energy: -140.273 flat angles C4'-P-C4' energy: -173.062 flat angles P-C4'-P energy: -105.450 tors. eta vs tors. theta energy: -182.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2150.271608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.271608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.271608 (E_RNA) where: Base-Base interactions energy: -1465.990 where: short stacking energy: -589.902 Base-Backbone interact. energy: -1.637 local terms energy: -682.644411 where: bonds (distance) C4'-P energy: -130.338 bonds (distance) P-C4' energy: -124.354 flat angles C4'-P-C4' energy: -164.934 flat angles P-C4'-P energy: -98.126 tors. eta vs tors. theta energy: -164.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1978.976246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.976246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.976246 (E_RNA) where: Base-Base interactions energy: -1301.222 where: short stacking energy: -580.429 Base-Backbone interact. energy: 0.080 local terms energy: -677.834286 where: bonds (distance) C4'-P energy: -135.934 bonds (distance) P-C4' energy: -144.668 flat angles C4'-P-C4' energy: -163.232 flat angles P-C4'-P energy: -96.416 tors. eta vs tors. theta energy: -137.584 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: 7 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1780.438391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.438391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.438391 (E_RNA) where: Base-Base interactions energy: -1184.118 where: short stacking energy: -516.216 Base-Backbone interact. energy: 0.513 local terms energy: -596.833465 where: bonds (distance) C4'-P energy: -106.162 bonds (distance) P-C4' energy: -129.732 flat angles C4'-P-C4' energy: -134.574 flat angles P-C4'-P energy: -96.647 tors. eta vs tors. theta energy: -129.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1567.385567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.385567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.385567 (E_RNA) where: Base-Base interactions energy: -1002.630 where: short stacking energy: -443.383 Base-Backbone interact. energy: 1.383 local terms energy: -566.139026 where: bonds (distance) C4'-P energy: -136.501 bonds (distance) P-C4' energy: -131.682 flat angles C4'-P-C4' energy: -118.289 flat angles P-C4'-P energy: -68.942 tors. eta vs tors. theta energy: -110.725 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: 9 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1407.855542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.855542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.855542 (E_RNA) where: Base-Base interactions energy: -895.534 where: short stacking energy: -418.387 Base-Backbone interact. energy: 4.111 local terms energy: -516.432020 where: bonds (distance) C4'-P energy: -113.056 bonds (distance) P-C4' energy: -101.771 flat angles C4'-P-C4' energy: -142.667 flat angles P-C4'-P energy: -89.790 tors. eta vs tors. theta energy: -69.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -1190.655239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.655239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.655239 (E_RNA) where: Base-Base interactions energy: -737.520 where: short stacking energy: -342.494 Base-Backbone interact. energy: -4.535 local terms energy: -448.600290 where: bonds (distance) C4'-P energy: -96.378 bonds (distance) P-C4' energy: -113.821 flat angles C4'-P-C4' energy: -97.257 flat angles P-C4'-P energy: -75.813 tors. eta vs tors. theta energy: -65.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -837.792760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.792760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.792760 (E_RNA) where: Base-Base interactions energy: -425.120 where: short stacking energy: -225.358 Base-Backbone interact. energy: -0.419 local terms energy: -412.253498 where: bonds (distance) C4'-P energy: -120.872 bonds (distance) P-C4' energy: -120.588 flat angles C4'-P-C4' energy: -105.873 flat angles P-C4'-P energy: -59.232 tors. eta vs tors. theta energy: -5.688 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: 1, replica: 2 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2557.464717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.464717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.464717 (E_RNA) where: Base-Base interactions energy: -1771.302 where: short stacking energy: -719.343 Base-Backbone interact. energy: -3.487 local terms energy: -782.675517 where: bonds (distance) C4'-P energy: -156.455 bonds (distance) P-C4' energy: -135.710 flat angles C4'-P-C4' energy: -164.284 flat angles P-C4'-P energy: -113.564 tors. eta vs tors. theta energy: -212.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2420.324065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.324065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.324065 (E_RNA) where: Base-Base interactions energy: -1664.364 where: short stacking energy: -693.039 Base-Backbone interact. energy: -1.534 local terms energy: -754.425676 where: bonds (distance) C4'-P energy: -130.840 bonds (distance) P-C4' energy: -155.069 flat angles C4'-P-C4' energy: -163.435 flat angles P-C4'-P energy: -122.518 tors. eta vs tors. theta energy: -182.562 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: 3, replica: 4 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2293.325476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.325476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.325476 (E_RNA) where: Base-Base interactions energy: -1589.074 where: short stacking energy: -645.713 Base-Backbone interact. energy: 1.526 local terms energy: -705.777187 where: bonds (distance) C4'-P energy: -142.402 bonds (distance) P-C4' energy: -143.181 flat angles C4'-P-C4' energy: -149.959 flat angles P-C4'-P energy: -91.727 tors. eta vs tors. theta energy: -178.509 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: 4, replica: 6 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2158.345726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.345726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.345726 (E_RNA) where: Base-Base interactions energy: -1492.631 where: short stacking energy: -618.667 Base-Backbone interact. energy: 0.643 local terms energy: -666.357822 where: bonds (distance) C4'-P energy: -118.631 bonds (distance) P-C4' energy: -137.931 flat angles C4'-P-C4' energy: -152.586 flat angles P-C4'-P energy: -91.663 tors. eta vs tors. theta energy: -165.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1971.929845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.929845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.929845 (E_RNA) where: Base-Base interactions energy: -1312.801 where: short stacking energy: -572.544 Base-Backbone interact. energy: -2.281 local terms energy: -656.848343 where: bonds (distance) C4'-P energy: -126.604 bonds (distance) P-C4' energy: -123.002 flat angles C4'-P-C4' energy: -157.353 flat angles P-C4'-P energy: -95.023 tors. eta vs tors. theta energy: -154.868 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: 7 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1821.143826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.143826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.143826 (E_RNA) where: Base-Base interactions energy: -1207.247 where: short stacking energy: -555.985 Base-Backbone interact. energy: -1.497 local terms energy: -612.399461 where: bonds (distance) C4'-P energy: -130.476 bonds (distance) P-C4' energy: -142.019 flat angles C4'-P-C4' energy: -129.265 flat angles P-C4'-P energy: -98.229 tors. eta vs tors. theta energy: -112.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1504.552105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.552105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.552105 (E_RNA) where: Base-Base interactions energy: -969.717 where: short stacking energy: -419.674 Base-Backbone interact. energy: -2.192 local terms energy: -532.643598 where: bonds (distance) C4'-P energy: -109.561 bonds (distance) P-C4' energy: -126.234 flat angles C4'-P-C4' energy: -131.535 flat angles P-C4'-P energy: -81.656 tors. eta vs tors. theta energy: -83.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1452.311603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.311603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.311603 (E_RNA) where: Base-Base interactions energy: -946.296 where: short stacking energy: -417.232 Base-Backbone interact. energy: -1.732 local terms energy: -504.283660 where: bonds (distance) C4'-P energy: -97.754 bonds (distance) P-C4' energy: -118.830 flat angles C4'-P-C4' energy: -110.300 flat angles P-C4'-P energy: -95.722 tors. eta vs tors. theta energy: -81.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -1148.969102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.969102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.969102 (E_RNA) where: Base-Base interactions energy: -679.699 where: short stacking energy: -297.665 Base-Backbone interact. energy: -5.529 local terms energy: -463.741321 where: bonds (distance) C4'-P energy: -111.627 bonds (distance) P-C4' energy: -130.169 flat angles C4'-P-C4' energy: -106.080 flat angles P-C4'-P energy: -83.633 tors. eta vs tors. theta energy: -32.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -747.217493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.217493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.217493 (E_RNA) where: Base-Base interactions energy: -332.869 where: short stacking energy: -214.260 Base-Backbone interact. energy: -1.868 local terms energy: -412.480036 where: bonds (distance) C4'-P energy: -102.673 bonds (distance) P-C4' energy: -134.816 flat angles C4'-P-C4' energy: -110.034 flat angles P-C4'-P energy: -65.602 tors. eta vs tors. theta energy: 0.645 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: 2 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2582.209101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.209101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.209101 (E_RNA) where: Base-Base interactions energy: -1802.645 where: short stacking energy: -734.859 Base-Backbone interact. energy: -2.110 local terms energy: -777.454071 where: bonds (distance) C4'-P energy: -141.961 bonds (distance) P-C4' energy: -143.922 flat angles C4'-P-C4' energy: -168.791 flat angles P-C4'-P energy: -104.717 tors. eta vs tors. theta energy: -218.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2403.858608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.858608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.858608 (E_RNA) where: Base-Base interactions energy: -1662.588 where: short stacking energy: -703.165 Base-Backbone interact. energy: -1.865 local terms energy: -739.404881 where: bonds (distance) C4'-P energy: -130.780 bonds (distance) P-C4' energy: -152.749 flat angles C4'-P-C4' energy: -158.595 flat angles P-C4'-P energy: -103.209 tors. eta vs tors. theta energy: -194.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2284.695603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.695603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.695603 (E_RNA) where: Base-Base interactions energy: -1560.864 where: short stacking energy: -639.883 Base-Backbone interact. energy: -0.668 local terms energy: -723.163660 where: bonds (distance) C4'-P energy: -126.852 bonds (distance) P-C4' energy: -163.948 flat angles C4'-P-C4' energy: -157.932 flat angles P-C4'-P energy: -99.131 tors. eta vs tors. theta energy: -175.300 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: 6 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2187.570795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.570795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.570795 (E_RNA) where: Base-Base interactions energy: -1523.254 where: short stacking energy: -644.800 Base-Backbone interact. energy: 4.228 local terms energy: -668.544684 where: bonds (distance) C4'-P energy: -123.713 bonds (distance) P-C4' energy: -135.684 flat angles C4'-P-C4' energy: -147.656 flat angles P-C4'-P energy: -87.368 tors. eta vs tors. theta energy: -174.123 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: 3 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1983.041576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.041576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.041576 (E_RNA) where: Base-Base interactions energy: -1318.496 where: short stacking energy: -585.458 Base-Backbone interact. energy: 1.118 local terms energy: -665.664327 where: bonds (distance) C4'-P energy: -126.073 bonds (distance) P-C4' energy: -132.076 flat angles C4'-P-C4' energy: -159.192 flat angles P-C4'-P energy: -75.417 tors. eta vs tors. theta energy: -172.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1886.670094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.670094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.670094 (E_RNA) where: Base-Base interactions energy: -1278.922 where: short stacking energy: -576.468 Base-Backbone interact. energy: 3.829 local terms energy: -611.577289 where: bonds (distance) C4'-P energy: -126.946 bonds (distance) P-C4' energy: -134.107 flat angles C4'-P-C4' energy: -131.492 flat angles P-C4'-P energy: -83.279 tors. eta vs tors. theta energy: -135.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1570.851568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.851568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.851568 (E_RNA) where: Base-Base interactions energy: -1035.481 where: short stacking energy: -464.446 Base-Backbone interact. energy: -1.292 local terms energy: -534.077763 where: bonds (distance) C4'-P energy: -104.327 bonds (distance) P-C4' energy: -110.107 flat angles C4'-P-C4' energy: -136.195 flat angles P-C4'-P energy: -88.445 tors. eta vs tors. theta energy: -95.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1446.974346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.974346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.974346 (E_RNA) where: Base-Base interactions energy: -886.547 where: short stacking energy: -410.560 Base-Backbone interact. energy: -2.551 local terms energy: -557.876133 where: bonds (distance) C4'-P energy: -124.026 bonds (distance) P-C4' energy: -130.963 flat angles C4'-P-C4' energy: -137.048 flat angles P-C4'-P energy: -78.034 tors. eta vs tors. theta energy: -87.805 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: 1 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1200.020952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.020952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.020952 (E_RNA) where: Base-Base interactions energy: -694.471 where: short stacking energy: -308.597 Base-Backbone interact. energy: 6.496 local terms energy: -512.046320 where: bonds (distance) C4'-P energy: -142.242 bonds (distance) P-C4' energy: -123.134 flat angles C4'-P-C4' energy: -121.795 flat angles P-C4'-P energy: -77.988 tors. eta vs tors. theta energy: -46.887 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: 10 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -758.330191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.330191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.330191 (E_RNA) where: Base-Base interactions energy: -382.547 where: short stacking energy: -204.974 Base-Backbone interact. energy: -0.509 local terms energy: -375.273775 where: bonds (distance) C4'-P energy: -85.802 bonds (distance) P-C4' energy: -119.972 flat angles C4'-P-C4' energy: -119.085 flat angles P-C4'-P energy: -53.103 tors. eta vs tors. theta energy: 2.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2576.393765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.393765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.393765 (E_RNA) where: Base-Base interactions energy: -1769.995 where: short stacking energy: -750.079 Base-Backbone interact. energy: 2.171 local terms energy: -808.570032 where: bonds (distance) C4'-P energy: -158.277 bonds (distance) P-C4' energy: -166.543 flat angles C4'-P-C4' energy: -165.094 flat angles P-C4'-P energy: -105.525 tors. eta vs tors. theta energy: -213.130 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: 2, replica: 8 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2401.110344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.110344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.110344 (E_RNA) where: Base-Base interactions energy: -1649.317 where: short stacking energy: -717.344 Base-Backbone interact. energy: -4.091 local terms energy: -747.702034 where: bonds (distance) C4'-P energy: -149.194 bonds (distance) P-C4' energy: -134.170 flat angles C4'-P-C4' energy: -162.145 flat angles P-C4'-P energy: -103.221 tors. eta vs tors. theta energy: -198.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2234.614765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.614765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.614765 (E_RNA) where: Base-Base interactions energy: -1561.791 where: short stacking energy: -656.531 Base-Backbone interact. energy: -0.777 local terms energy: -672.046756 where: bonds (distance) C4'-P energy: -137.882 bonds (distance) P-C4' energy: -136.624 flat angles C4'-P-C4' energy: -148.127 flat angles P-C4'-P energy: -81.301 tors. eta vs tors. theta energy: -168.112 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: 4, replica: 6 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2111.740093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.740093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.740093 (E_RNA) where: Base-Base interactions energy: -1443.175 where: short stacking energy: -600.477 Base-Backbone interact. energy: 4.557 local terms energy: -673.121709 where: bonds (distance) C4'-P energy: -151.634 bonds (distance) P-C4' energy: -135.903 flat angles C4'-P-C4' energy: -147.238 flat angles P-C4'-P energy: -88.663 tors. eta vs tors. theta energy: -149.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2059.334201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.334201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.334201 (E_RNA) where: Base-Base interactions energy: -1358.676 where: short stacking energy: -603.716 Base-Backbone interact. energy: 2.885 local terms energy: -703.543089 where: bonds (distance) C4'-P energy: -139.427 bonds (distance) P-C4' energy: -125.733 flat angles C4'-P-C4' energy: -151.971 flat angles P-C4'-P energy: -110.333 tors. eta vs tors. theta energy: -176.079 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: 7 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1858.039889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.039889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.039889 (E_RNA) where: Base-Base interactions energy: -1222.523 where: short stacking energy: -530.680 Base-Backbone interact. energy: -2.295 local terms energy: -633.221504 where: bonds (distance) C4'-P energy: -115.905 bonds (distance) P-C4' energy: -134.958 flat angles C4'-P-C4' energy: -139.162 flat angles P-C4'-P energy: -99.972 tors. eta vs tors. theta energy: -143.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1579.967653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.967653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.967653 (E_RNA) where: Base-Base interactions energy: -1033.956 where: short stacking energy: -467.709 Base-Backbone interact. energy: 3.492 local terms energy: -549.503207 where: bonds (distance) C4'-P energy: -128.609 bonds (distance) P-C4' energy: -117.691 flat angles C4'-P-C4' energy: -136.379 flat angles P-C4'-P energy: -74.049 tors. eta vs tors. theta energy: -92.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1434.104887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.104887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.104887 (E_RNA) where: Base-Base interactions energy: -937.419 where: short stacking energy: -417.154 Base-Backbone interact. energy: -2.404 local terms energy: -494.281857 where: bonds (distance) C4'-P energy: -110.432 bonds (distance) P-C4' energy: -97.310 flat angles C4'-P-C4' energy: -119.694 flat angles P-C4'-P energy: -79.015 tors. eta vs tors. theta energy: -87.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -1180.204250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.204250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.204250 (E_RNA) where: Base-Base interactions energy: -715.739 where: short stacking energy: -372.687 Base-Backbone interact. energy: 0.739 local terms energy: -465.687327 where: bonds (distance) C4'-P energy: -111.365 bonds (distance) P-C4' energy: -127.768 flat angles C4'-P-C4' energy: -114.213 flat angles P-C4'-P energy: -57.499 tors. eta vs tors. theta energy: -54.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.484 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -796.810343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.810343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.810343 (E_RNA) where: Base-Base interactions energy: -410.114 where: short stacking energy: -213.334 Base-Backbone interact. energy: -0.577 local terms energy: -386.119118 where: bonds (distance) C4'-P energy: -98.861 bonds (distance) P-C4' energy: -145.091 flat angles C4'-P-C4' energy: -109.819 flat angles P-C4'-P energy: -50.900 tors. eta vs tors. theta energy: 18.552 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: 1, replica: 2 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2557.140830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.140830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.140830 (E_RNA) where: Base-Base interactions energy: -1767.316 where: short stacking energy: -752.312 Base-Backbone interact. energy: -0.674 local terms energy: -789.150408 where: bonds (distance) C4'-P energy: -146.689 bonds (distance) P-C4' energy: -159.364 flat angles C4'-P-C4' energy: -170.158 flat angles P-C4'-P energy: -101.242 tors. eta vs tors. theta energy: -211.698 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: 8 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2392.038627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.038627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.038627 (E_RNA) where: Base-Base interactions energy: -1627.716 where: short stacking energy: -708.126 Base-Backbone interact. energy: 0.570 local terms energy: -764.892692 where: bonds (distance) C4'-P energy: -143.422 bonds (distance) P-C4' energy: -147.776 flat angles C4'-P-C4' energy: -165.861 flat angles P-C4'-P energy: -93.994 tors. eta vs tors. theta energy: -213.840 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: 166 Temperature: 1.000000 Total energy: -2198.195012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.195012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.195012 (E_RNA) where: Base-Base interactions energy: -1509.475 where: short stacking energy: -619.143 Base-Backbone interact. energy: -4.424 local terms energy: -684.296603 where: bonds (distance) C4'-P energy: -132.845 bonds (distance) P-C4' energy: -155.340 flat angles C4'-P-C4' energy: -147.843 flat angles P-C4'-P energy: -97.389 tors. eta vs tors. theta energy: -150.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2151.366141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.366141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.366141 (E_RNA) where: Base-Base interactions energy: -1497.033 where: short stacking energy: -602.242 Base-Backbone interact. energy: -2.425 local terms energy: -651.908729 where: bonds (distance) C4'-P energy: -108.633 bonds (distance) P-C4' energy: -149.025 flat angles C4'-P-C4' energy: -149.121 flat angles P-C4'-P energy: -92.939 tors. eta vs tors. theta energy: -152.191 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: 3 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -2046.640330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.640330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.640330 (E_RNA) where: Base-Base interactions energy: -1375.373 where: short stacking energy: -614.973 Base-Backbone interact. energy: -2.330 local terms energy: -668.938067 where: bonds (distance) C4'-P energy: -119.250 bonds (distance) P-C4' energy: -138.984 flat angles C4'-P-C4' energy: -151.585 flat angles P-C4'-P energy: -83.175 tors. eta vs tors. theta energy: -175.943 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: 7 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1826.171733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.171733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.171733 (E_RNA) where: Base-Base interactions energy: -1217.103 where: short stacking energy: -524.521 Base-Backbone interact. energy: -1.398 local terms energy: -607.670776 where: bonds (distance) C4'-P energy: -107.457 bonds (distance) P-C4' energy: -136.250 flat angles C4'-P-C4' energy: -143.408 flat angles P-C4'-P energy: -97.530 tors. eta vs tors. theta energy: -123.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1528.207406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.207406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.207406 (E_RNA) where: Base-Base interactions energy: -948.835 where: short stacking energy: -442.687 Base-Backbone interact. energy: 2.859 local terms energy: -582.231215 where: bonds (distance) C4'-P energy: -116.288 bonds (distance) P-C4' energy: -139.188 flat angles C4'-P-C4' energy: -150.683 flat angles P-C4'-P energy: -71.661 tors. eta vs tors. theta energy: -104.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1473.847254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.847254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.847254 (E_RNA) where: Base-Base interactions energy: -918.498 where: short stacking energy: -415.214 Base-Backbone interact. energy: -2.362 local terms energy: -552.986896 where: bonds (distance) C4'-P energy: -117.033 bonds (distance) P-C4' energy: -132.068 flat angles C4'-P-C4' energy: -131.289 flat angles P-C4'-P energy: -89.603 tors. eta vs tors. theta energy: -82.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -1150.221683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.221683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.221683 (E_RNA) where: Base-Base interactions energy: -707.830 where: short stacking energy: -338.870 Base-Backbone interact. energy: 0.096 local terms energy: -442.729980 where: bonds (distance) C4'-P energy: -126.820 bonds (distance) P-C4' energy: -109.000 flat angles C4'-P-C4' energy: -103.431 flat angles P-C4'-P energy: -66.306 tors. eta vs tors. theta energy: -37.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.242 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -737.766513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.766513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.766513 (E_RNA) where: Base-Base interactions energy: -344.347 where: short stacking energy: -197.926 Base-Backbone interact. energy: 7.482 local terms energy: -400.901265 where: bonds (distance) C4'-P energy: -130.677 bonds (distance) P-C4' energy: -137.706 flat angles C4'-P-C4' energy: -96.474 flat angles P-C4'-P energy: -57.045 tors. eta vs tors. theta energy: 21.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2562.748903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.748903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.748903 (E_RNA) where: Base-Base interactions energy: -1772.275 where: short stacking energy: -749.374 Base-Backbone interact. energy: -2.905 local terms energy: -787.568997 where: bonds (distance) C4'-P energy: -151.247 bonds (distance) P-C4' energy: -142.744 flat angles C4'-P-C4' energy: -173.984 flat angles P-C4'-P energy: -104.182 tors. eta vs tors. theta energy: -215.412 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: 8 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2421.835224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.835224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.835224 (E_RNA) where: Base-Base interactions energy: -1670.622 where: short stacking energy: -711.181 Base-Backbone interact. energy: -4.441 local terms energy: -746.771697 where: bonds (distance) C4'-P energy: -129.521 bonds (distance) P-C4' energy: -151.543 flat angles C4'-P-C4' energy: -164.868 flat angles P-C4'-P energy: -106.326 tors. eta vs tors. theta energy: -194.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2221.522332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.522332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.522332 (E_RNA) where: Base-Base interactions energy: -1528.388 where: short stacking energy: -634.521 Base-Backbone interact. energy: -6.449 local terms energy: -686.684577 where: bonds (distance) C4'-P energy: -132.461 bonds (distance) P-C4' energy: -135.157 flat angles C4'-P-C4' energy: -164.239 flat angles P-C4'-P energy: -86.604 tors. eta vs tors. theta energy: -168.223 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: 6 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2193.059275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.059275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.059275 (E_RNA) where: Base-Base interactions energy: -1486.379 where: short stacking energy: -617.008 Base-Backbone interact. energy: -2.026 local terms energy: -704.654118 where: bonds (distance) C4'-P energy: -141.281 bonds (distance) P-C4' energy: -145.917 flat angles C4'-P-C4' energy: -160.281 flat angles P-C4'-P energy: -87.248 tors. eta vs tors. theta energy: -169.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1953.625629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.625629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.625629 (E_RNA) where: Base-Base interactions energy: -1284.276 where: short stacking energy: -565.547 Base-Backbone interact. energy: 1.150 local terms energy: -670.499674 where: bonds (distance) C4'-P energy: -140.215 bonds (distance) P-C4' energy: -136.337 flat angles C4'-P-C4' energy: -140.349 flat angles P-C4'-P energy: -97.776 tors. eta vs tors. theta energy: -155.823 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: 7 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1845.593953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.593953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.593953 (E_RNA) where: Base-Base interactions energy: -1265.056 where: short stacking energy: -533.727 Base-Backbone interact. energy: -2.446 local terms energy: -578.092382 where: bonds (distance) C4'-P energy: -118.084 bonds (distance) P-C4' energy: -113.894 flat angles C4'-P-C4' energy: -147.573 flat angles P-C4'-P energy: -79.312 tors. eta vs tors. theta energy: -119.229 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: 5 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1543.594769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.594769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.594769 (E_RNA) where: Base-Base interactions energy: -988.783 where: short stacking energy: -449.979 Base-Backbone interact. energy: -0.019 local terms energy: -554.792841 where: bonds (distance) C4'-P energy: -119.707 bonds (distance) P-C4' energy: -134.695 flat angles C4'-P-C4' energy: -113.633 flat angles P-C4'-P energy: -93.416 tors. eta vs tors. theta energy: -93.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1459.443127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.443127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.443127 (E_RNA) where: Base-Base interactions energy: -940.028 where: short stacking energy: -382.939 Base-Backbone interact. energy: -3.494 local terms energy: -515.921257 where: bonds (distance) C4'-P energy: -123.659 bonds (distance) P-C4' energy: -132.552 flat angles C4'-P-C4' energy: -113.015 flat angles P-C4'-P energy: -70.651 tors. eta vs tors. theta energy: -76.044 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: 1 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -1101.788733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.788733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.788733 (E_RNA) where: Base-Base interactions energy: -654.208 where: short stacking energy: -310.391 Base-Backbone interact. energy: 1.990 local terms energy: -449.570725 where: bonds (distance) C4'-P energy: -132.450 bonds (distance) P-C4' energy: -108.437 flat angles C4'-P-C4' energy: -117.989 flat angles P-C4'-P energy: -62.967 tors. eta vs tors. theta energy: -27.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -809.010360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.010360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.010360 (E_RNA) where: Base-Base interactions energy: -374.671 where: short stacking energy: -205.219 Base-Backbone interact. energy: 3.074 local terms energy: -437.413925 where: bonds (distance) C4'-P energy: -118.193 bonds (distance) P-C4' energy: -128.624 flat angles C4'-P-C4' energy: -106.530 flat angles P-C4'-P energy: -66.005 tors. eta vs tors. theta energy: -18.062 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: 1, replica: 2 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2559.634865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.634865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.634865 (E_RNA) where: Base-Base interactions energy: -1771.174 where: short stacking energy: -742.509 Base-Backbone interact. energy: -2.797 local terms energy: -785.664281 where: bonds (distance) C4'-P energy: -148.400 bonds (distance) P-C4' energy: -147.406 flat angles C4'-P-C4' energy: -163.620 flat angles P-C4'-P energy: -114.176 tors. eta vs tors. theta energy: -212.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2450.610151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.610151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.610151 (E_RNA) where: Base-Base interactions energy: -1688.377 where: short stacking energy: -704.448 Base-Backbone interact. energy: -0.703 local terms energy: -761.529539 where: bonds (distance) C4'-P energy: -145.214 bonds (distance) P-C4' energy: -140.214 flat angles C4'-P-C4' energy: -166.330 flat angles P-C4'-P energy: -104.864 tors. eta vs tors. theta energy: -204.908 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: 4 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2240.018711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.018711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.018711 (E_RNA) where: Base-Base interactions energy: -1557.054 where: short stacking energy: -648.367 Base-Backbone interact. energy: -4.607 local terms energy: -678.356822 where: bonds (distance) C4'-P energy: -131.288 bonds (distance) P-C4' energy: -139.595 flat angles C4'-P-C4' energy: -161.324 flat angles P-C4'-P energy: -92.307 tors. eta vs tors. theta energy: -153.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2177.194686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.194686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.194686 (E_RNA) where: Base-Base interactions energy: -1486.332 where: short stacking energy: -640.275 Base-Backbone interact. energy: -0.570 local terms energy: -690.293471 where: bonds (distance) C4'-P energy: -147.460 bonds (distance) P-C4' energy: -118.890 flat angles C4'-P-C4' energy: -151.183 flat angles P-C4'-P energy: -95.351 tors. eta vs tors. theta energy: -177.410 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: 3 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2030.443748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.443748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.443748 (E_RNA) where: Base-Base interactions energy: -1359.983 where: short stacking energy: -611.418 Base-Backbone interact. energy: 0.132 local terms energy: -670.592615 where: bonds (distance) C4'-P energy: -123.199 bonds (distance) P-C4' energy: -139.013 flat angles C4'-P-C4' energy: -144.758 flat angles P-C4'-P energy: -79.444 tors. eta vs tors. theta energy: -184.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1893.044491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.044491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.044491 (E_RNA) where: Base-Base interactions energy: -1267.968 where: short stacking energy: -514.391 Base-Backbone interact. energy: 0.409 local terms energy: -625.485686 where: bonds (distance) C4'-P energy: -127.875 bonds (distance) P-C4' energy: -128.385 flat angles C4'-P-C4' energy: -139.772 flat angles P-C4'-P energy: -98.963 tors. eta vs tors. theta energy: -130.491 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: 7, replica: 9 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1523.409889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.409889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.409889 (E_RNA) where: Base-Base interactions energy: -998.000 where: short stacking energy: -473.264 Base-Backbone interact. energy: -1.060 local terms energy: -524.350075 where: bonds (distance) C4'-P energy: -104.079 bonds (distance) P-C4' energy: -118.460 flat angles C4'-P-C4' energy: -129.775 flat angles P-C4'-P energy: -85.733 tors. eta vs tors. theta energy: -86.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1479.056580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.056580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.056580 (E_RNA) where: Base-Base interactions energy: -917.570 where: short stacking energy: -404.973 Base-Backbone interact. energy: -4.127 local terms energy: -557.359467 where: bonds (distance) C4'-P energy: -109.975 bonds (distance) P-C4' energy: -139.679 flat angles C4'-P-C4' energy: -118.360 flat angles P-C4'-P energy: -90.065 tors. eta vs tors. theta energy: -99.280 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: 9, replica: 1 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -1184.378257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.378257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.378257 (E_RNA) where: Base-Base interactions energy: -688.745 where: short stacking energy: -302.292 Base-Backbone interact. energy: 5.961 local terms energy: -501.595118 where: bonds (distance) C4'-P energy: -131.244 bonds (distance) P-C4' energy: -121.768 flat angles C4'-P-C4' energy: -124.300 flat angles P-C4'-P energy: -74.238 tors. eta vs tors. theta energy: -50.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -804.715026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.715026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.715026 (E_RNA) where: Base-Base interactions energy: -384.180 where: short stacking energy: -178.517 Base-Backbone interact. energy: -0.088 local terms energy: -420.447322 where: bonds (distance) C4'-P energy: -131.684 bonds (distance) P-C4' energy: -138.653 flat angles C4'-P-C4' energy: -102.176 flat angles P-C4'-P energy: -75.103 tors. eta vs tors. theta energy: 27.169 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: 2 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2566.629339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.629339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.629339 (E_RNA) where: Base-Base interactions energy: -1752.934 where: short stacking energy: -745.781 Base-Backbone interact. energy: -6.506 local terms energy: -807.189330 where: bonds (distance) C4'-P energy: -137.132 bonds (distance) P-C4' energy: -158.611 flat angles C4'-P-C4' energy: -168.707 flat angles P-C4'-P energy: -114.732 tors. eta vs tors. theta energy: -228.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2419.090875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.090875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.090875 (E_RNA) where: Base-Base interactions energy: -1628.908 where: short stacking energy: -698.752 Base-Backbone interact. energy: -3.870 local terms energy: -786.313052 where: bonds (distance) C4'-P energy: -134.995 bonds (distance) P-C4' energy: -153.121 flat angles C4'-P-C4' energy: -163.650 flat angles P-C4'-P energy: -131.050 tors. eta vs tors. theta energy: -203.497 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: 4 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2241.575833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.575833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.575833 (E_RNA) where: Base-Base interactions energy: -1524.135 where: short stacking energy: -632.922 Base-Backbone interact. energy: 0.955 local terms energy: -718.396321 where: bonds (distance) C4'-P energy: -131.525 bonds (distance) P-C4' energy: -146.350 flat angles C4'-P-C4' energy: -160.342 flat angles P-C4'-P energy: -111.306 tors. eta vs tors. theta energy: -168.874 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: 169 Temperature: 1.050000 Total energy: -2170.855426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.855426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.855426 (E_RNA) where: Base-Base interactions energy: -1500.214 where: short stacking energy: -617.177 Base-Backbone interact. energy: 1.417 local terms energy: -672.058686 where: bonds (distance) C4'-P energy: -140.394 bonds (distance) P-C4' energy: -126.581 flat angles C4'-P-C4' energy: -151.525 flat angles P-C4'-P energy: -96.247 tors. eta vs tors. theta energy: -157.312 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: 5, replica: 3 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2014.636817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.636817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.636817 (E_RNA) where: Base-Base interactions energy: -1340.040 where: short stacking energy: -617.004 Base-Backbone interact. energy: -3.345 local terms energy: -671.251828 where: bonds (distance) C4'-P energy: -142.461 bonds (distance) P-C4' energy: -126.813 flat angles C4'-P-C4' energy: -154.905 flat angles P-C4'-P energy: -92.171 tors. eta vs tors. theta energy: -154.902 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: 7 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1896.477404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.477404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.477404 (E_RNA) where: Base-Base interactions energy: -1278.285 where: short stacking energy: -534.755 Base-Backbone interact. energy: -0.171 local terms energy: -618.021088 where: bonds (distance) C4'-P energy: -120.033 bonds (distance) P-C4' energy: -144.553 flat angles C4'-P-C4' energy: -139.393 flat angles P-C4'-P energy: -88.902 tors. eta vs tors. theta energy: -125.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1525.426529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.426529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.426529 (E_RNA) where: Base-Base interactions energy: -965.662 where: short stacking energy: -454.449 Base-Backbone interact. energy: -1.745 local terms energy: -558.019715 where: bonds (distance) C4'-P energy: -152.112 bonds (distance) P-C4' energy: -119.046 flat angles C4'-P-C4' energy: -129.533 flat angles P-C4'-P energy: -71.507 tors. eta vs tors. theta energy: -85.822 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: 5 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1323.796541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.796541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.796541 (E_RNA) where: Base-Base interactions energy: -803.766 where: short stacking energy: -375.772 Base-Backbone interact. energy: -0.660 local terms energy: -519.369917 where: bonds (distance) C4'-P energy: -110.313 bonds (distance) P-C4' energy: -131.290 flat angles C4'-P-C4' energy: -125.254 flat angles P-C4'-P energy: -78.045 tors. eta vs tors. theta energy: -74.467 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: 1 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -1174.980363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.980363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.980363 (E_RNA) where: Base-Base interactions energy: -701.384 where: short stacking energy: -343.472 Base-Backbone interact. energy: 4.000 local terms energy: -477.596792 where: bonds (distance) C4'-P energy: -122.556 bonds (distance) P-C4' energy: -126.198 flat angles C4'-P-C4' energy: -122.557 flat angles P-C4'-P energy: -63.575 tors. eta vs tors. theta energy: -42.711 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: 169 Temperature: 1.350000 Total energy: -805.335083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.335083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.335083 (E_RNA) where: Base-Base interactions energy: -422.229 where: short stacking energy: -257.354 Base-Backbone interact. energy: -4.071 local terms energy: -379.035806 where: bonds (distance) C4'-P energy: -111.727 bonds (distance) P-C4' energy: -132.275 flat angles C4'-P-C4' energy: -75.758 flat angles P-C4'-P energy: -52.507 tors. eta vs tors. theta energy: -6.768 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: 170 Temperature: 0.900000 Total energy: -2551.625643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.625643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.625643 (E_RNA) where: Base-Base interactions energy: -1759.579 where: short stacking energy: -738.705 Base-Backbone interact. energy: -2.761 local terms energy: -789.286060 where: bonds (distance) C4'-P energy: -146.604 bonds (distance) P-C4' energy: -157.919 flat angles C4'-P-C4' energy: -172.230 flat angles P-C4'-P energy: -114.704 tors. eta vs tors. theta energy: -197.830 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: 8 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2396.835247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.835247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.835247 (E_RNA) where: Base-Base interactions energy: -1657.335 where: short stacking energy: -716.719 Base-Backbone interact. energy: -1.895 local terms energy: -737.605108 where: bonds (distance) C4'-P energy: -138.424 bonds (distance) P-C4' energy: -144.041 flat angles C4'-P-C4' energy: -155.405 flat angles P-C4'-P energy: -105.258 tors. eta vs tors. theta energy: -194.477 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: 4 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2257.841646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.841646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.841646 (E_RNA) where: Base-Base interactions energy: -1529.270 where: short stacking energy: -637.271 Base-Backbone interact. energy: -3.143 local terms energy: -725.428506 where: bonds (distance) C4'-P energy: -149.646 bonds (distance) P-C4' energy: -156.630 flat angles C4'-P-C4' energy: -161.308 flat angles P-C4'-P energy: -98.495 tors. eta vs tors. theta energy: -159.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2137.287019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.287019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.287019 (E_RNA) where: Base-Base interactions energy: -1455.875 where: short stacking energy: -597.812 Base-Backbone interact. energy: 0.125 local terms energy: -681.537085 where: bonds (distance) C4'-P energy: -137.536 bonds (distance) P-C4' energy: -149.273 flat angles C4'-P-C4' energy: -144.427 flat angles P-C4'-P energy: -95.824 tors. eta vs tors. theta energy: -154.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -2037.416366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.416366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.416366 (E_RNA) where: Base-Base interactions energy: -1357.470 where: short stacking energy: -621.035 Base-Backbone interact. energy: -2.081 local terms energy: -677.865528 where: bonds (distance) C4'-P energy: -124.601 bonds (distance) P-C4' energy: -134.319 flat angles C4'-P-C4' energy: -160.271 flat angles P-C4'-P energy: -86.806 tors. eta vs tors. theta energy: -171.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1842.936168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.936168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.936168 (E_RNA) where: Base-Base interactions energy: -1230.364 where: short stacking energy: -509.627 Base-Backbone interact. energy: -1.599 local terms energy: -610.972505 where: bonds (distance) C4'-P energy: -122.570 bonds (distance) P-C4' energy: -135.914 flat angles C4'-P-C4' energy: -146.931 flat angles P-C4'-P energy: -96.802 tors. eta vs tors. theta energy: -108.756 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: 7, replica: 9 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1568.225545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.225545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.225545 (E_RNA) where: Base-Base interactions energy: -976.541 where: short stacking energy: -448.080 Base-Backbone interact. energy: -2.353 local terms energy: -589.331208 where: bonds (distance) C4'-P energy: -126.215 bonds (distance) P-C4' energy: -131.329 flat angles C4'-P-C4' energy: -131.788 flat angles P-C4'-P energy: -100.153 tors. eta vs tors. theta energy: -99.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1350.086216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.086216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.086216 (E_RNA) where: Base-Base interactions energy: -839.534 where: short stacking energy: -408.141 Base-Backbone interact. energy: -4.979 local terms energy: -505.572494 where: bonds (distance) C4'-P energy: -107.005 bonds (distance) P-C4' energy: -115.860 flat angles C4'-P-C4' energy: -124.266 flat angles P-C4'-P energy: -74.182 tors. eta vs tors. theta energy: -84.260 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: 1 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1131.503553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.503553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.503553 (E_RNA) where: Base-Base interactions energy: -655.767 where: short stacking energy: -322.996 Base-Backbone interact. energy: 2.135 local terms energy: -477.871335 where: bonds (distance) C4'-P energy: -108.754 bonds (distance) P-C4' energy: -133.255 flat angles C4'-P-C4' energy: -113.773 flat angles P-C4'-P energy: -83.673 tors. eta vs tors. theta energy: -38.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -776.696668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.696668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.696668 (E_RNA) where: Base-Base interactions energy: -365.834 where: short stacking energy: -204.439 Base-Backbone interact. energy: -0.750 local terms energy: -410.112406 where: bonds (distance) C4'-P energy: -121.257 bonds (distance) P-C4' energy: -106.863 flat angles C4'-P-C4' energy: -111.394 flat angles P-C4'-P energy: -72.985 tors. eta vs tors. theta energy: 2.386 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: 2 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2525.119904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.119904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.119904 (E_RNA) where: Base-Base interactions energy: -1760.135 where: short stacking energy: -726.630 Base-Backbone interact. energy: -1.856 local terms energy: -763.129170 where: bonds (distance) C4'-P energy: -138.607 bonds (distance) P-C4' energy: -152.665 flat angles C4'-P-C4' energy: -167.202 flat angles P-C4'-P energy: -103.438 tors. eta vs tors. theta energy: -201.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2418.444094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.444094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.444094 (E_RNA) where: Base-Base interactions energy: -1636.246 where: short stacking energy: -710.858 Base-Backbone interact. energy: -2.265 local terms energy: -779.932380 where: bonds (distance) C4'-P energy: -137.418 bonds (distance) P-C4' energy: -157.130 flat angles C4'-P-C4' energy: -170.830 flat angles P-C4'-P energy: -105.142 tors. eta vs tors. theta energy: -209.412 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: 3, replica: 4 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2265.776693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.776693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.776693 (E_RNA) where: Base-Base interactions energy: -1563.456 where: short stacking energy: -665.586 Base-Backbone interact. energy: -0.959 local terms energy: -701.362443 where: bonds (distance) C4'-P energy: -123.747 bonds (distance) P-C4' energy: -143.593 flat angles C4'-P-C4' energy: -163.465 flat angles P-C4'-P energy: -93.672 tors. eta vs tors. theta energy: -176.886 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: 6 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2126.648304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.648304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.648304 (E_RNA) where: Base-Base interactions energy: -1455.871 where: short stacking energy: -623.522 Base-Backbone interact. energy: -4.300 local terms energy: -666.477942 where: bonds (distance) C4'-P energy: -128.593 bonds (distance) P-C4' energy: -140.021 flat angles C4'-P-C4' energy: -161.884 flat angles P-C4'-P energy: -90.230 tors. eta vs tors. theta energy: -145.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2097.768204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.768204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.768204 (E_RNA) where: Base-Base interactions energy: -1426.046 where: short stacking energy: -647.162 Base-Backbone interact. energy: -1.886 local terms energy: -669.835803 where: bonds (distance) C4'-P energy: -132.277 bonds (distance) P-C4' energy: -136.345 flat angles C4'-P-C4' energy: -135.684 flat angles P-C4'-P energy: -96.380 tors. eta vs tors. theta energy: -169.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1858.603596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.603596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.603596 (E_RNA) where: Base-Base interactions energy: -1239.431 where: short stacking energy: -516.053 Base-Backbone interact. energy: -1.372 local terms energy: -617.800496 where: bonds (distance) C4'-P energy: -131.593 bonds (distance) P-C4' energy: -151.534 flat angles C4'-P-C4' energy: -135.361 flat angles P-C4'-P energy: -83.359 tors. eta vs tors. theta energy: -115.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1525.200762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.200762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.200762 (E_RNA) where: Base-Base interactions energy: -998.192 where: short stacking energy: -452.761 Base-Backbone interact. energy: 6.813 local terms energy: -533.822181 where: bonds (distance) C4'-P energy: -117.151 bonds (distance) P-C4' energy: -114.159 flat angles C4'-P-C4' energy: -116.840 flat angles P-C4'-P energy: -92.111 tors. eta vs tors. theta energy: -93.562 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: 5 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1380.153426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.153426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.153426 (E_RNA) where: Base-Base interactions energy: -871.909 where: short stacking energy: -413.629 Base-Backbone interact. energy: -0.517 local terms energy: -507.727188 where: bonds (distance) C4'-P energy: -125.536 bonds (distance) P-C4' energy: -108.959 flat angles C4'-P-C4' energy: -110.046 flat angles P-C4'-P energy: -75.368 tors. eta vs tors. theta energy: -87.819 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: 1 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -1175.504856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.504856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.504856 (E_RNA) where: Base-Base interactions energy: -718.965 where: short stacking energy: -350.990 Base-Backbone interact. energy: -0.572 local terms energy: -455.967338 where: bonds (distance) C4'-P energy: -110.715 bonds (distance) P-C4' energy: -116.965 flat angles C4'-P-C4' energy: -128.080 flat angles P-C4'-P energy: -60.510 tors. eta vs tors. theta energy: -39.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -796.374014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.374014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.374014 (E_RNA) where: Base-Base interactions energy: -406.017 where: short stacking energy: -244.974 Base-Backbone interact. energy: -0.720 local terms energy: -389.636265 where: bonds (distance) C4'-P energy: -98.349 bonds (distance) P-C4' energy: -115.611 flat angles C4'-P-C4' energy: -107.101 flat angles P-C4'-P energy: -64.259 tors. eta vs tors. theta energy: -4.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2573.180657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.180657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.180657 (E_RNA) where: Base-Base interactions energy: -1794.549 where: short stacking energy: -736.305 Base-Backbone interact. energy: -3.069 local terms energy: -775.562513 where: bonds (distance) C4'-P energy: -128.175 bonds (distance) P-C4' energy: -165.269 flat angles C4'-P-C4' energy: -175.242 flat angles P-C4'-P energy: -104.687 tors. eta vs tors. theta energy: -202.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2395.137955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.137955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.137955 (E_RNA) where: Base-Base interactions energy: -1655.667 where: short stacking energy: -712.067 Base-Backbone interact. energy: -3.670 local terms energy: -735.801164 where: bonds (distance) C4'-P energy: -157.553 bonds (distance) P-C4' energy: -144.602 flat angles C4'-P-C4' energy: -159.809 flat angles P-C4'-P energy: -82.932 tors. eta vs tors. theta energy: -190.905 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: 4 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2272.365778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.365778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.365778 (E_RNA) where: Base-Base interactions energy: -1576.805 where: short stacking energy: -650.725 Base-Backbone interact. energy: -0.926 local terms energy: -694.635088 where: bonds (distance) C4'-P energy: -137.508 bonds (distance) P-C4' energy: -133.097 flat angles C4'-P-C4' energy: -144.767 flat angles P-C4'-P energy: -106.288 tors. eta vs tors. theta energy: -172.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2070.938596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.938596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.938596 (E_RNA) where: Base-Base interactions energy: -1407.117 where: short stacking energy: -589.177 Base-Backbone interact. energy: -5.949 local terms energy: -657.873322 where: bonds (distance) C4'-P energy: -120.965 bonds (distance) P-C4' energy: -133.559 flat angles C4'-P-C4' energy: -140.931 flat angles P-C4'-P energy: -97.838 tors. eta vs tors. theta energy: -164.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -2099.298259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.298259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.298259 (E_RNA) where: Base-Base interactions energy: -1397.796 where: short stacking energy: -639.133 Base-Backbone interact. energy: 0.466 local terms energy: -701.968511 where: bonds (distance) C4'-P energy: -136.767 bonds (distance) P-C4' energy: -121.314 flat angles C4'-P-C4' energy: -156.033 flat angles P-C4'-P energy: -102.700 tors. eta vs tors. theta energy: -185.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1888.302916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.302916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.302916 (E_RNA) where: Base-Base interactions energy: -1259.560 where: short stacking energy: -561.094 Base-Backbone interact. energy: -0.565 local terms energy: -628.177924 where: bonds (distance) C4'-P energy: -122.537 bonds (distance) P-C4' energy: -144.155 flat angles C4'-P-C4' energy: -130.399 flat angles P-C4'-P energy: -95.374 tors. eta vs tors. theta energy: -135.713 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: 172 Temperature: 1.200000 Total energy: -1520.433750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.433750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.433750 (E_RNA) where: Base-Base interactions energy: -968.228 where: short stacking energy: -472.086 Base-Backbone interact. energy: -3.237 local terms energy: -548.968419 where: bonds (distance) C4'-P energy: -114.588 bonds (distance) P-C4' energy: -123.052 flat angles C4'-P-C4' energy: -118.908 flat angles P-C4'-P energy: -98.732 tors. eta vs tors. theta energy: -93.688 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: 5 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1276.261119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.261119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.261119 (E_RNA) where: Base-Base interactions energy: -791.941 where: short stacking energy: -370.070 Base-Backbone interact. energy: 0.246 local terms energy: -484.565527 where: bonds (distance) C4'-P energy: -104.359 bonds (distance) P-C4' energy: -135.639 flat angles C4'-P-C4' energy: -113.764 flat angles P-C4'-P energy: -81.934 tors. eta vs tors. theta energy: -48.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -1158.822465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.822465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.822465 (E_RNA) where: Base-Base interactions energy: -688.134 where: short stacking energy: -332.679 Base-Backbone interact. energy: 6.654 local terms energy: -477.343098 where: bonds (distance) C4'-P energy: -118.967 bonds (distance) P-C4' energy: -128.101 flat angles C4'-P-C4' energy: -128.762 flat angles P-C4'-P energy: -48.244 tors. eta vs tors. theta energy: -53.269 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: 172 Temperature: 1.350000 Total energy: -787.476399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.476399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.476399 (E_RNA) where: Base-Base interactions energy: -392.592 where: short stacking energy: -216.092 Base-Backbone interact. energy: 3.575 local terms energy: -398.459044 where: bonds (distance) C4'-P energy: -116.170 bonds (distance) P-C4' energy: -117.622 flat angles C4'-P-C4' energy: -90.636 flat angles P-C4'-P energy: -75.091 tors. eta vs tors. theta energy: 1.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2550.271080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.271080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.271080 (E_RNA) where: Base-Base interactions energy: -1783.503 where: short stacking energy: -710.913 Base-Backbone interact. energy: -0.571 local terms energy: -766.197616 where: bonds (distance) C4'-P energy: -149.031 bonds (distance) P-C4' energy: -150.678 flat angles C4'-P-C4' energy: -165.384 flat angles P-C4'-P energy: -107.327 tors. eta vs tors. theta energy: -193.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2396.080125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.080125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.080125 (E_RNA) where: Base-Base interactions energy: -1653.466 where: short stacking energy: -702.957 Base-Backbone interact. energy: -4.995 local terms energy: -737.619030 where: bonds (distance) C4'-P energy: -146.493 bonds (distance) P-C4' energy: -148.199 flat angles C4'-P-C4' energy: -154.565 flat angles P-C4'-P energy: -100.106 tors. eta vs tors. theta energy: -188.257 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: 3, replica: 4 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2311.819983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.819983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.819983 (E_RNA) where: Base-Base interactions energy: -1572.134 where: short stacking energy: -667.857 Base-Backbone interact. energy: -0.319 local terms energy: -739.367271 where: bonds (distance) C4'-P energy: -137.761 bonds (distance) P-C4' energy: -160.018 flat angles C4'-P-C4' energy: -153.478 flat angles P-C4'-P energy: -95.594 tors. eta vs tors. theta energy: -192.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2117.731011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.731011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.731011 (E_RNA) where: Base-Base interactions energy: -1428.717 where: short stacking energy: -621.558 Base-Backbone interact. energy: -2.988 local terms energy: -686.025927 where: bonds (distance) C4'-P energy: -121.036 bonds (distance) P-C4' energy: -148.087 flat angles C4'-P-C4' energy: -162.990 flat angles P-C4'-P energy: -96.881 tors. eta vs tors. theta energy: -157.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2102.621351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.621351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.621351 (E_RNA) where: Base-Base interactions energy: -1390.146 where: short stacking energy: -605.743 Base-Backbone interact. energy: -2.573 local terms energy: -709.902722 where: bonds (distance) C4'-P energy: -142.822 bonds (distance) P-C4' energy: -138.919 flat angles C4'-P-C4' energy: -163.241 flat angles P-C4'-P energy: -106.010 tors. eta vs tors. theta energy: -158.911 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: 7 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1852.860805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.860805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.860805 (E_RNA) where: Base-Base interactions energy: -1190.867 where: short stacking energy: -542.264 Base-Backbone interact. energy: 0.018 local terms energy: -662.011887 where: bonds (distance) C4'-P energy: -121.855 bonds (distance) P-C4' energy: -150.052 flat angles C4'-P-C4' energy: -150.612 flat angles P-C4'-P energy: -92.857 tors. eta vs tors. theta energy: -146.636 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: 9 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1503.717862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.717862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.717862 (E_RNA) where: Base-Base interactions energy: -995.944 where: short stacking energy: -440.422 Base-Backbone interact. energy: 1.799 local terms energy: -509.572767 where: bonds (distance) C4'-P energy: -107.798 bonds (distance) P-C4' energy: -106.978 flat angles C4'-P-C4' energy: -140.399 flat angles P-C4'-P energy: -69.377 tors. eta vs tors. theta energy: -85.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1407.117658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.117658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.117658 (E_RNA) where: Base-Base interactions energy: -864.508 where: short stacking energy: -387.235 Base-Backbone interact. energy: -2.436 local terms energy: -540.173771 where: bonds (distance) C4'-P energy: -144.514 bonds (distance) P-C4' energy: -126.574 flat angles C4'-P-C4' energy: -127.092 flat angles P-C4'-P energy: -68.847 tors. eta vs tors. theta energy: -73.147 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: 1 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -1079.051754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.051754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.051754 (E_RNA) where: Base-Base interactions energy: -648.771 where: short stacking energy: -341.084 Base-Backbone interact. energy: -0.053 local terms energy: -430.228274 where: bonds (distance) C4'-P energy: -106.032 bonds (distance) P-C4' energy: -122.227 flat angles C4'-P-C4' energy: -107.512 flat angles P-C4'-P energy: -63.007 tors. eta vs tors. theta energy: -31.450 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: 173 Temperature: 1.350000 Total energy: -854.321127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.321127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.321127 (E_RNA) where: Base-Base interactions energy: -450.067 where: short stacking energy: -254.170 Base-Backbone interact. energy: -0.088 local terms energy: -404.165872 where: bonds (distance) C4'-P energy: -102.863 bonds (distance) P-C4' energy: -136.931 flat angles C4'-P-C4' energy: -97.077 flat angles P-C4'-P energy: -54.682 tors. eta vs tors. theta energy: -12.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2527.787630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.787630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.787630 (E_RNA) where: Base-Base interactions energy: -1764.544 where: short stacking energy: -711.498 Base-Backbone interact. energy: -6.021 local terms energy: -757.222891 where: bonds (distance) C4'-P energy: -146.344 bonds (distance) P-C4' energy: -144.753 flat angles C4'-P-C4' energy: -165.042 flat angles P-C4'-P energy: -104.775 tors. eta vs tors. theta energy: -196.310 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: 8 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2350.164662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.164662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.164662 (E_RNA) where: Base-Base interactions energy: -1618.147 where: short stacking energy: -693.933 Base-Backbone interact. energy: -4.538 local terms energy: -727.479773 where: bonds (distance) C4'-P energy: -131.286 bonds (distance) P-C4' energy: -139.095 flat angles C4'-P-C4' energy: -164.007 flat angles P-C4'-P energy: -108.011 tors. eta vs tors. theta energy: -185.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2327.179186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.179186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.179186 (E_RNA) where: Base-Base interactions energy: -1611.906 where: short stacking energy: -680.612 Base-Backbone interact. energy: -1.945 local terms energy: -713.328687 where: bonds (distance) C4'-P energy: -139.406 bonds (distance) P-C4' energy: -142.558 flat angles C4'-P-C4' energy: -154.043 flat angles P-C4'-P energy: -89.881 tors. eta vs tors. theta energy: -187.440 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: 6 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2148.341366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.341366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.341366 (E_RNA) where: Base-Base interactions energy: -1467.402 where: short stacking energy: -612.504 Base-Backbone interact. energy: -0.026 local terms energy: -680.914128 where: bonds (distance) C4'-P energy: -126.813 bonds (distance) P-C4' energy: -129.504 flat angles C4'-P-C4' energy: -156.182 flat angles P-C4'-P energy: -105.448 tors. eta vs tors. theta energy: -162.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -2125.239348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.239348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.239348 (E_RNA) where: Base-Base interactions energy: -1430.607 where: short stacking energy: -635.157 Base-Backbone interact. energy: 3.524 local terms energy: -698.157221 where: bonds (distance) C4'-P energy: -122.120 bonds (distance) P-C4' energy: -140.131 flat angles C4'-P-C4' energy: -152.873 flat angles P-C4'-P energy: -88.924 tors. eta vs tors. theta energy: -194.108 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: 7 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1835.674295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.674295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.674295 (E_RNA) where: Base-Base interactions energy: -1213.069 where: short stacking energy: -561.442 Base-Backbone interact. energy: 1.329 local terms energy: -623.934346 where: bonds (distance) C4'-P energy: -118.786 bonds (distance) P-C4' energy: -121.194 flat angles C4'-P-C4' energy: -155.007 flat angles P-C4'-P energy: -98.626 tors. eta vs tors. theta energy: -130.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1475.059385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.059385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.059385 (E_RNA) where: Base-Base interactions energy: -921.637 where: short stacking energy: -404.975 Base-Backbone interact. energy: -1.985 local terms energy: -551.437459 where: bonds (distance) C4'-P energy: -136.088 bonds (distance) P-C4' energy: -124.634 flat angles C4'-P-C4' energy: -120.642 flat angles P-C4'-P energy: -78.620 tors. eta vs tors. theta energy: -91.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1364.464499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.464499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.464499 (E_RNA) where: Base-Base interactions energy: -858.546 where: short stacking energy: -404.279 Base-Backbone interact. energy: -1.984 local terms energy: -503.934662 where: bonds (distance) C4'-P energy: -116.974 bonds (distance) P-C4' energy: -122.550 flat angles C4'-P-C4' energy: -102.754 flat angles P-C4'-P energy: -80.465 tors. eta vs tors. theta energy: -81.191 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: 9, replica: 1 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -1049.618985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.618985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.618985 (E_RNA) where: Base-Base interactions energy: -599.898 where: short stacking energy: -298.753 Base-Backbone interact. energy: 1.739 local terms energy: -451.460017 where: bonds (distance) C4'-P energy: -106.432 bonds (distance) P-C4' energy: -116.828 flat angles C4'-P-C4' energy: -104.605 flat angles P-C4'-P energy: -71.623 tors. eta vs tors. theta energy: -51.972 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: 10, replica: 10 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -854.196013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.196013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.196013 (E_RNA) where: Base-Base interactions energy: -426.411 where: short stacking energy: -242.744 Base-Backbone interact. energy: 3.799 local terms energy: -431.583897 where: bonds (distance) C4'-P energy: -117.241 bonds (distance) P-C4' energy: -124.471 flat angles C4'-P-C4' energy: -92.740 flat angles P-C4'-P energy: -75.304 tors. eta vs tors. theta energy: -21.829 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: 2 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2538.102900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.102900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.102900 (E_RNA) where: Base-Base interactions energy: -1781.679 where: short stacking energy: -721.464 Base-Backbone interact. energy: -1.563 local terms energy: -754.861559 where: bonds (distance) C4'-P energy: -138.846 bonds (distance) P-C4' energy: -141.245 flat angles C4'-P-C4' energy: -166.621 flat angles P-C4'-P energy: -104.493 tors. eta vs tors. theta energy: -203.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2381.578831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.578831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.578831 (E_RNA) where: Base-Base interactions energy: -1629.909 where: short stacking energy: -705.693 Base-Backbone interact. energy: -1.098 local terms energy: -750.572021 where: bonds (distance) C4'-P energy: -139.384 bonds (distance) P-C4' energy: -148.796 flat angles C4'-P-C4' energy: -173.329 flat angles P-C4'-P energy: -111.153 tors. eta vs tors. theta energy: -177.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2314.687357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.687357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.687357 (E_RNA) where: Base-Base interactions energy: -1594.310 where: short stacking energy: -654.662 Base-Backbone interact. energy: -2.020 local terms energy: -718.357243 where: bonds (distance) C4'-P energy: -134.558 bonds (distance) P-C4' energy: -147.904 flat angles C4'-P-C4' energy: -156.271 flat angles P-C4'-P energy: -100.412 tors. eta vs tors. theta energy: -179.213 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: 3 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2218.965896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.965896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.965896 (E_RNA) where: Base-Base interactions energy: -1485.563 where: short stacking energy: -653.245 Base-Backbone interact. energy: 0.965 local terms energy: -734.367724 where: bonds (distance) C4'-P energy: -138.385 bonds (distance) P-C4' energy: -152.302 flat angles C4'-P-C4' energy: -156.114 flat angles P-C4'-P energy: -99.418 tors. eta vs tors. theta energy: -188.148 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: 6 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2028.012630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.012630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.012630 (E_RNA) where: Base-Base interactions energy: -1363.551 where: short stacking energy: -580.051 Base-Backbone interact. energy: -0.646 local terms energy: -663.815016 where: bonds (distance) C4'-P energy: -131.347 bonds (distance) P-C4' energy: -150.271 flat angles C4'-P-C4' energy: -145.724 flat angles P-C4'-P energy: -78.860 tors. eta vs tors. theta energy: -157.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1878.026604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.026604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.026604 (E_RNA) where: Base-Base interactions energy: -1255.160 where: short stacking energy: -575.234 Base-Backbone interact. energy: -0.729 local terms energy: -622.137708 where: bonds (distance) C4'-P energy: -124.532 bonds (distance) P-C4' energy: -125.947 flat angles C4'-P-C4' energy: -139.394 flat angles P-C4'-P energy: -87.529 tors. eta vs tors. theta energy: -144.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1506.486766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.486766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.486766 (E_RNA) where: Base-Base interactions energy: -973.552 where: short stacking energy: -441.286 Base-Backbone interact. energy: 0.814 local terms energy: -533.749207 where: bonds (distance) C4'-P energy: -127.127 bonds (distance) P-C4' energy: -133.269 flat angles C4'-P-C4' energy: -137.741 flat angles P-C4'-P energy: -59.558 tors. eta vs tors. theta energy: -76.055 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: 5 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1440.639008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.639008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.639008 (E_RNA) where: Base-Base interactions energy: -899.560 where: short stacking energy: -420.797 Base-Backbone interact. energy: -0.605 local terms energy: -540.473928 where: bonds (distance) C4'-P energy: -122.724 bonds (distance) P-C4' energy: -115.021 flat angles C4'-P-C4' energy: -152.579 flat angles P-C4'-P energy: -73.871 tors. eta vs tors. theta energy: -76.280 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: 9, replica: 1 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -1033.746561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.746561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.746561 (E_RNA) where: Base-Base interactions energy: -552.423 where: short stacking energy: -270.645 Base-Backbone interact. energy: 0.498 local terms energy: -481.822134 where: bonds (distance) C4'-P energy: -124.184 bonds (distance) P-C4' energy: -127.163 flat angles C4'-P-C4' energy: -120.966 flat angles P-C4'-P energy: -76.983 tors. eta vs tors. theta energy: -32.526 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: 10 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -845.374023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.374023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.374023 (E_RNA) where: Base-Base interactions energy: -449.980 where: short stacking energy: -239.081 Base-Backbone interact. energy: -2.599 local terms energy: -392.794736 where: bonds (distance) C4'-P energy: -112.739 bonds (distance) P-C4' energy: -115.416 flat angles C4'-P-C4' energy: -112.308 flat angles P-C4'-P energy: -62.707 tors. eta vs tors. theta energy: 10.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2503.333878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.333878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.333878 (E_RNA) where: Base-Base interactions energy: -1724.851 where: short stacking energy: -698.225 Base-Backbone interact. energy: -4.032 local terms energy: -774.450892 where: bonds (distance) C4'-P energy: -140.754 bonds (distance) P-C4' energy: -144.345 flat angles C4'-P-C4' energy: -168.502 flat angles P-C4'-P energy: -117.348 tors. eta vs tors. theta energy: -203.501 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: 8 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2392.047691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.047691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.047691 (E_RNA) where: Base-Base interactions energy: -1639.853 where: short stacking energy: -713.529 Base-Backbone interact. energy: -2.520 local terms energy: -749.674808 where: bonds (distance) C4'-P energy: -148.351 bonds (distance) P-C4' energy: -141.621 flat angles C4'-P-C4' energy: -163.514 flat angles P-C4'-P energy: -108.859 tors. eta vs tors. theta energy: -187.329 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: 4 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2321.913384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.913384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.913384 (E_RNA) where: Base-Base interactions energy: -1578.385 where: short stacking energy: -696.162 Base-Backbone interact. energy: 0.890 local terms energy: -744.418243 where: bonds (distance) C4'-P energy: -137.888 bonds (distance) P-C4' energy: -139.396 flat angles C4'-P-C4' energy: -160.353 flat angles P-C4'-P energy: -115.725 tors. eta vs tors. theta energy: -191.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2242.419925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.419925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.419925 (E_RNA) where: Base-Base interactions energy: -1509.981 where: short stacking energy: -656.330 Base-Backbone interact. energy: -1.880 local terms energy: -730.559160 where: bonds (distance) C4'-P energy: -132.094 bonds (distance) P-C4' energy: -141.388 flat angles C4'-P-C4' energy: -155.792 flat angles P-C4'-P energy: -104.147 tors. eta vs tors. theta energy: -197.140 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: 6 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2059.253567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.253567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.253567 (E_RNA) where: Base-Base interactions energy: -1439.244 where: short stacking energy: -545.454 Base-Backbone interact. energy: -0.582 local terms energy: -619.427532 where: bonds (distance) C4'-P energy: -114.818 bonds (distance) P-C4' energy: -134.563 flat angles C4'-P-C4' energy: -140.878 flat angles P-C4'-P energy: -95.707 tors. eta vs tors. theta energy: -133.461 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: 176 Temperature: 1.150000 Total energy: -1885.119917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.119917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.119917 (E_RNA) where: Base-Base interactions energy: -1254.489 where: short stacking energy: -596.096 Base-Backbone interact. energy: 0.952 local terms energy: -631.582580 where: bonds (distance) C4'-P energy: -123.424 bonds (distance) P-C4' energy: -121.213 flat angles C4'-P-C4' energy: -139.358 flat angles P-C4'-P energy: -96.973 tors. eta vs tors. theta energy: -150.614 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: 9 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1537.695459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.695459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.695459 (E_RNA) where: Base-Base interactions energy: -959.323 where: short stacking energy: -425.400 Base-Backbone interact. energy: -0.725 local terms energy: -577.647682 where: bonds (distance) C4'-P energy: -117.137 bonds (distance) P-C4' energy: -153.119 flat angles C4'-P-C4' energy: -128.972 flat angles P-C4'-P energy: -77.512 tors. eta vs tors. theta energy: -100.908 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: 8, replica: 5 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1457.842221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.842221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.842221 (E_RNA) where: Base-Base interactions energy: -924.740 where: short stacking energy: -464.807 Base-Backbone interact. energy: -4.184 local terms energy: -528.918106 where: bonds (distance) C4'-P energy: -119.660 bonds (distance) P-C4' energy: -124.179 flat angles C4'-P-C4' energy: -127.976 flat angles P-C4'-P energy: -59.506 tors. eta vs tors. theta energy: -97.598 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: 1 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -1018.428975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.428975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.428975 (E_RNA) where: Base-Base interactions energy: -578.068 where: short stacking energy: -315.457 Base-Backbone interact. energy: -2.615 local terms energy: -437.746742 where: bonds (distance) C4'-P energy: -108.809 bonds (distance) P-C4' energy: -120.105 flat angles C4'-P-C4' energy: -113.707 flat angles P-C4'-P energy: -64.743 tors. eta vs tors. theta energy: -30.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -827.538699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.538699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.538699 (E_RNA) where: Base-Base interactions energy: -410.305 where: short stacking energy: -215.513 Base-Backbone interact. energy: 1.488 local terms energy: -418.721701 where: bonds (distance) C4'-P energy: -108.259 bonds (distance) P-C4' energy: -137.251 flat angles C4'-P-C4' energy: -113.915 flat angles P-C4'-P energy: -53.663 tors. eta vs tors. theta energy: -5.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2523.005876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.005876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.005876 (E_RNA) where: Base-Base interactions energy: -1752.403 where: short stacking energy: -707.588 Base-Backbone interact. energy: -3.661 local terms energy: -766.941612 where: bonds (distance) C4'-P energy: -154.385 bonds (distance) P-C4' energy: -144.336 flat angles C4'-P-C4' energy: -172.540 flat angles P-C4'-P energy: -100.008 tors. eta vs tors. theta energy: -195.673 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: 8 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2399.927637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.927637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.927637 (E_RNA) where: Base-Base interactions energy: -1644.058 where: short stacking energy: -665.886 Base-Backbone interact. energy: -0.348 local terms energy: -755.521161 where: bonds (distance) C4'-P energy: -133.564 bonds (distance) P-C4' energy: -162.592 flat angles C4'-P-C4' energy: -169.413 flat angles P-C4'-P energy: -107.524 tors. eta vs tors. theta energy: -182.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2351.637956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.637956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.637956 (E_RNA) where: Base-Base interactions energy: -1605.898 where: short stacking energy: -705.112 Base-Backbone interact. energy: 2.391 local terms energy: -748.130990 where: bonds (distance) C4'-P energy: -144.008 bonds (distance) P-C4' energy: -161.506 flat angles C4'-P-C4' energy: -150.941 flat angles P-C4'-P energy: -94.910 tors. eta vs tors. theta energy: -196.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2211.758638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.758638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.758638 (E_RNA) where: Base-Base interactions energy: -1476.296 where: short stacking energy: -660.735 Base-Backbone interact. energy: -0.784 local terms energy: -734.678532 where: bonds (distance) C4'-P energy: -122.739 bonds (distance) P-C4' energy: -143.192 flat angles C4'-P-C4' energy: -171.193 flat angles P-C4'-P energy: -98.504 tors. eta vs tors. theta energy: -199.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -2031.034977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.034977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.034977 (E_RNA) where: Base-Base interactions energy: -1408.782 where: short stacking energy: -587.299 Base-Backbone interact. energy: 2.095 local terms energy: -624.347924 where: bonds (distance) C4'-P energy: -133.514 bonds (distance) P-C4' energy: -134.240 flat angles C4'-P-C4' energy: -156.635 flat angles P-C4'-P energy: -64.363 tors. eta vs tors. theta energy: -135.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1856.594163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.594163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.594163 (E_RNA) where: Base-Base interactions energy: -1250.304 where: short stacking energy: -557.851 Base-Backbone interact. energy: -1.812 local terms energy: -604.478072 where: bonds (distance) C4'-P energy: -113.205 bonds (distance) P-C4' energy: -135.947 flat angles C4'-P-C4' energy: -144.161 flat angles P-C4'-P energy: -71.802 tors. eta vs tors. theta energy: -139.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1643.034272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.034272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.034272 (E_RNA) where: Base-Base interactions energy: -1045.535 where: short stacking energy: -481.535 Base-Backbone interact. energy: -7.235 local terms energy: -590.264028 where: bonds (distance) C4'-P energy: -121.489 bonds (distance) P-C4' energy: -135.161 flat angles C4'-P-C4' energy: -145.419 flat angles P-C4'-P energy: -81.671 tors. eta vs tors. theta energy: -106.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1341.634082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.634082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.634082 (E_RNA) where: Base-Base interactions energy: -832.758 where: short stacking energy: -355.933 Base-Backbone interact. energy: 1.847 local terms energy: -510.723449 where: bonds (distance) C4'-P energy: -113.160 bonds (distance) P-C4' energy: -116.035 flat angles C4'-P-C4' energy: -133.241 flat angles P-C4'-P energy: -78.697 tors. eta vs tors. theta energy: -69.591 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: 1 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -1040.025301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.025301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.025301 (E_RNA) where: Base-Base interactions energy: -588.760 where: short stacking energy: -311.069 Base-Backbone interact. energy: -2.049 local terms energy: -449.216057 where: bonds (distance) C4'-P energy: -110.479 bonds (distance) P-C4' energy: -113.899 flat angles C4'-P-C4' energy: -126.699 flat angles P-C4'-P energy: -57.173 tors. eta vs tors. theta energy: -40.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -835.424224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.424224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.424224 (E_RNA) where: Base-Base interactions energy: -442.033 where: short stacking energy: -235.391 Base-Backbone interact. energy: 2.460 local terms energy: -395.851104 where: bonds (distance) C4'-P energy: -124.016 bonds (distance) P-C4' energy: -107.743 flat angles C4'-P-C4' energy: -115.955 flat angles P-C4'-P energy: -52.125 tors. eta vs tors. theta energy: 3.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2571.671641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.671641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.671641 (E_RNA) where: Base-Base interactions energy: -1789.046 where: short stacking energy: -728.140 Base-Backbone interact. energy: -3.110 local terms energy: -779.515914 where: bonds (distance) C4'-P energy: -149.685 bonds (distance) P-C4' energy: -145.771 flat angles C4'-P-C4' energy: -168.167 flat angles P-C4'-P energy: -105.590 tors. eta vs tors. theta energy: -210.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2396.892782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.892782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.892782 (E_RNA) where: Base-Base interactions energy: -1629.013 where: short stacking energy: -722.667 Base-Backbone interact. energy: -3.934 local terms energy: -763.945270 where: bonds (distance) C4'-P energy: -143.073 bonds (distance) P-C4' energy: -145.651 flat angles C4'-P-C4' energy: -171.633 flat angles P-C4'-P energy: -107.960 tors. eta vs tors. theta energy: -195.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2321.815221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.815221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.815221 (E_RNA) where: Base-Base interactions energy: -1614.345 where: short stacking energy: -666.054 Base-Backbone interact. energy: 0.969 local terms energy: -708.439640 where: bonds (distance) C4'-P energy: -140.142 bonds (distance) P-C4' energy: -147.794 flat angles C4'-P-C4' energy: -152.723 flat angles P-C4'-P energy: -89.851 tors. eta vs tors. theta energy: -177.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2225.604569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.604569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.604569 (E_RNA) where: Base-Base interactions energy: -1502.474 where: short stacking energy: -642.954 Base-Backbone interact. energy: -2.238 local terms energy: -720.893399 where: bonds (distance) C4'-P energy: -132.227 bonds (distance) P-C4' energy: -155.846 flat angles C4'-P-C4' energy: -142.682 flat angles P-C4'-P energy: -94.662 tors. eta vs tors. theta energy: -195.476 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: 5, replica: 6 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1965.608192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.608192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.608192 (E_RNA) where: Base-Base interactions energy: -1360.126 where: short stacking energy: -560.117 Base-Backbone interact. energy: -1.650 local terms energy: -603.832348 where: bonds (distance) C4'-P energy: -127.585 bonds (distance) P-C4' energy: -128.632 flat angles C4'-P-C4' energy: -147.130 flat angles P-C4'-P energy: -80.395 tors. eta vs tors. theta energy: -120.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1874.737370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.737370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.737370 (E_RNA) where: Base-Base interactions energy: -1268.470 where: short stacking energy: -553.221 Base-Backbone interact. energy: -1.442 local terms energy: -604.825420 where: bonds (distance) C4'-P energy: -128.132 bonds (distance) P-C4' energy: -125.942 flat angles C4'-P-C4' energy: -141.248 flat angles P-C4'-P energy: -87.776 tors. eta vs tors. theta energy: -121.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1640.840787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.840787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.840787 (E_RNA) where: Base-Base interactions energy: -1043.147 where: short stacking energy: -474.027 Base-Backbone interact. energy: 2.945 local terms energy: -600.638741 where: bonds (distance) C4'-P energy: -137.580 bonds (distance) P-C4' energy: -126.798 flat angles C4'-P-C4' energy: -129.924 flat angles P-C4'-P energy: -76.894 tors. eta vs tors. theta energy: -129.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1412.628486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.628486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.628486 (E_RNA) where: Base-Base interactions energy: -890.281 where: short stacking energy: -414.971 Base-Backbone interact. energy: -2.265 local terms energy: -520.083030 where: bonds (distance) C4'-P energy: -126.377 bonds (distance) P-C4' energy: -132.125 flat angles C4'-P-C4' energy: -108.380 flat angles P-C4'-P energy: -80.142 tors. eta vs tors. theta energy: -73.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -1010.032414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.032414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.032414 (E_RNA) where: Base-Base interactions energy: -580.501 where: short stacking energy: -281.495 Base-Backbone interact. energy: 2.439 local terms energy: -431.971091 where: bonds (distance) C4'-P energy: -113.506 bonds (distance) P-C4' energy: -123.318 flat angles C4'-P-C4' energy: -126.443 flat angles P-C4'-P energy: -57.611 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: 10, replica: 10 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -882.277020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.277020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.277020 (E_RNA) where: Base-Base interactions energy: -476.205 where: short stacking energy: -238.728 Base-Backbone interact. energy: 0.570 local terms energy: -406.642148 where: bonds (distance) C4'-P energy: -131.996 bonds (distance) P-C4' energy: -114.804 flat angles C4'-P-C4' energy: -100.652 flat angles P-C4'-P energy: -47.364 tors. eta vs tors. theta energy: -11.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2557.304961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.304961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.304961 (E_RNA) where: Base-Base interactions energy: -1773.863 where: short stacking energy: -736.716 Base-Backbone interact. energy: -4.587 local terms energy: -779.082780 where: bonds (distance) C4'-P energy: -142.741 bonds (distance) P-C4' energy: -157.148 flat angles C4'-P-C4' energy: -157.530 flat angles P-C4'-P energy: -121.190 tors. eta vs tors. theta energy: -200.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.227 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2400.301328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.301328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.301328 (E_RNA) where: Base-Base interactions energy: -1678.313 where: short stacking energy: -686.053 Base-Backbone interact. energy: -1.552 local terms energy: -720.436255 where: bonds (distance) C4'-P energy: -129.100 bonds (distance) P-C4' energy: -150.221 flat angles C4'-P-C4' energy: -154.146 flat angles P-C4'-P energy: -98.959 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: 3, replica: 4 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2311.612417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.612417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.612417 (E_RNA) where: Base-Base interactions energy: -1593.994 where: short stacking energy: -664.532 Base-Backbone interact. energy: -0.158 local terms energy: -717.460705 where: bonds (distance) C4'-P energy: -125.495 bonds (distance) P-C4' energy: -158.465 flat angles C4'-P-C4' energy: -151.093 flat angles P-C4'-P energy: -97.781 tors. eta vs tors. theta energy: -184.627 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: 3 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2258.636224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.636224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.636224 (E_RNA) where: Base-Base interactions energy: -1495.841 where: short stacking energy: -636.486 Base-Backbone interact. energy: 0.484 local terms energy: -763.278899 where: bonds (distance) C4'-P energy: -145.869 bonds (distance) P-C4' energy: -153.970 flat angles C4'-P-C4' energy: -168.386 flat angles P-C4'-P energy: -113.199 tors. eta vs tors. theta energy: -181.854 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: 6 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2020.004755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.004755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.004755 (E_RNA) where: Base-Base interactions energy: -1376.843 where: short stacking energy: -552.445 Base-Backbone interact. energy: -0.087 local terms energy: -643.074675 where: bonds (distance) C4'-P energy: -144.845 bonds (distance) P-C4' energy: -145.461 flat angles C4'-P-C4' energy: -148.525 flat angles P-C4'-P energy: -71.995 tors. eta vs tors. theta energy: -132.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1832.548081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.548081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.548081 (E_RNA) where: Base-Base interactions energy: -1215.111 where: short stacking energy: -518.621 Base-Backbone interact. energy: 2.575 local terms energy: -620.012604 where: bonds (distance) C4'-P energy: -127.860 bonds (distance) P-C4' energy: -137.582 flat angles C4'-P-C4' energy: -149.197 flat angles P-C4'-P energy: -88.302 tors. eta vs tors. theta energy: -117.071 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: 9 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1559.903390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.903390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.903390 (E_RNA) where: Base-Base interactions energy: -992.230 where: short stacking energy: -434.252 Base-Backbone interact. energy: -1.820 local terms energy: -565.853322 where: bonds (distance) C4'-P energy: -124.639 bonds (distance) P-C4' energy: -137.575 flat angles C4'-P-C4' energy: -117.038 flat angles P-C4'-P energy: -91.702 tors. eta vs tors. theta energy: -94.900 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: 5 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1430.135366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.135366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.135366 (E_RNA) where: Base-Base interactions energy: -890.792 where: short stacking energy: -433.683 Base-Backbone interact. energy: -3.851 local terms energy: -535.491774 where: bonds (distance) C4'-P energy: -122.053 bonds (distance) P-C4' energy: -130.286 flat angles C4'-P-C4' energy: -116.891 flat angles P-C4'-P energy: -84.298 tors. eta vs tors. theta energy: -81.964 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: 9, replica: 1 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -1025.627001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.627001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.627001 (E_RNA) where: Base-Base interactions energy: -566.917 where: short stacking energy: -289.462 Base-Backbone interact. energy: 3.146 local terms energy: -461.856536 where: bonds (distance) C4'-P energy: -106.738 bonds (distance) P-C4' energy: -127.393 flat angles C4'-P-C4' energy: -121.903 flat angles P-C4'-P energy: -85.948 tors. eta vs tors. theta energy: -19.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -933.540909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.540909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.540909 (E_RNA) where: Base-Base interactions energy: -496.923 where: short stacking energy: -249.297 Base-Backbone interact. energy: -1.429 local terms energy: -435.189399 where: bonds (distance) C4'-P energy: -111.646 bonds (distance) P-C4' energy: -121.100 flat angles C4'-P-C4' energy: -127.569 flat angles P-C4'-P energy: -58.608 tors. eta vs tors. theta energy: -16.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2576.562796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.562796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.562796 (E_RNA) where: Base-Base interactions energy: -1768.620 where: short stacking energy: -732.610 Base-Backbone interact. energy: -2.516 local terms energy: -805.770248 where: bonds (distance) C4'-P energy: -145.400 bonds (distance) P-C4' energy: -155.736 flat angles C4'-P-C4' energy: -169.124 flat angles P-C4'-P energy: -119.301 tors. eta vs tors. theta energy: -216.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.344 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2433.188552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.188552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.188552 (E_RNA) where: Base-Base interactions energy: -1660.718 where: short stacking energy: -710.271 Base-Backbone interact. energy: -1.462 local terms energy: -771.008763 where: bonds (distance) C4'-P energy: -147.268 bonds (distance) P-C4' energy: -146.081 flat angles C4'-P-C4' energy: -178.867 flat angles P-C4'-P energy: -102.122 tors. eta vs tors. theta energy: -196.671 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: 4 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2328.899395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.899395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.899395 (E_RNA) where: Base-Base interactions energy: -1617.597 where: short stacking energy: -638.933 Base-Backbone interact. energy: -0.574 local terms energy: -710.727631 where: bonds (distance) C4'-P energy: -140.365 bonds (distance) P-C4' energy: -141.660 flat angles C4'-P-C4' energy: -166.484 flat angles P-C4'-P energy: -88.117 tors. eta vs tors. theta energy: -174.102 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: 3 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2219.223855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.223855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.223855 (E_RNA) where: Base-Base interactions energy: -1512.730 where: short stacking energy: -651.937 Base-Backbone interact. energy: -3.066 local terms energy: -703.428102 where: bonds (distance) C4'-P energy: -140.915 bonds (distance) P-C4' energy: -128.484 flat angles C4'-P-C4' energy: -154.047 flat angles P-C4'-P energy: -106.983 tors. eta vs tors. theta energy: -172.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2035.370602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.370602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.370602 (E_RNA) where: Base-Base interactions energy: -1378.553 where: short stacking energy: -539.018 Base-Backbone interact. energy: -2.157 local terms energy: -654.660425 where: bonds (distance) C4'-P energy: -132.166 bonds (distance) P-C4' energy: -141.177 flat angles C4'-P-C4' energy: -143.564 flat angles P-C4'-P energy: -99.612 tors. eta vs tors. theta energy: -138.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1893.582885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.582885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.582885 (E_RNA) where: Base-Base interactions energy: -1286.040 where: short stacking energy: -538.680 Base-Backbone interact. energy: -0.267 local terms energy: -607.275721 where: bonds (distance) C4'-P energy: -127.533 bonds (distance) P-C4' energy: -127.482 flat angles C4'-P-C4' energy: -133.580 flat angles P-C4'-P energy: -84.614 tors. eta vs tors. theta energy: -134.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1570.955903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.955903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.955903 (E_RNA) where: Base-Base interactions energy: -1001.322 where: short stacking energy: -456.064 Base-Backbone interact. energy: -0.836 local terms energy: -568.798081 where: bonds (distance) C4'-P energy: -117.780 bonds (distance) P-C4' energy: -120.513 flat angles C4'-P-C4' energy: -136.921 flat angles P-C4'-P energy: -89.933 tors. eta vs tors. theta energy: -103.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1473.457806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.457806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.457806 (E_RNA) where: Base-Base interactions energy: -945.284 where: short stacking energy: -437.991 Base-Backbone interact. energy: -4.010 local terms energy: -524.164195 where: bonds (distance) C4'-P energy: -122.356 bonds (distance) P-C4' energy: -128.830 flat angles C4'-P-C4' energy: -120.996 flat angles P-C4'-P energy: -63.938 tors. eta vs tors. theta energy: -88.045 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: 1 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -1049.974770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.974770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.974770 (E_RNA) where: Base-Base interactions energy: -593.770 where: short stacking energy: -293.619 Base-Backbone interact. energy: 0.218 local terms energy: -456.422361 where: bonds (distance) C4'-P energy: -109.838 bonds (distance) P-C4' energy: -116.770 flat angles C4'-P-C4' energy: -126.478 flat angles P-C4'-P energy: -74.107 tors. eta vs tors. theta energy: -29.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -1017.273113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.273113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.273113 (E_RNA) where: Base-Base interactions energy: -585.350 where: short stacking energy: -265.319 Base-Backbone interact. energy: -1.937 local terms energy: -429.985533 where: bonds (distance) C4'-P energy: -97.945 bonds (distance) P-C4' energy: -101.365 flat angles C4'-P-C4' energy: -104.640 flat angles P-C4'-P energy: -94.268 tors. eta vs tors. theta energy: -31.767 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: 2 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2527.653962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.653962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.653962 (E_RNA) where: Base-Base interactions energy: -1736.921 where: short stacking energy: -688.632 Base-Backbone interact. energy: -2.302 local terms energy: -788.430726 where: bonds (distance) C4'-P energy: -157.283 bonds (distance) P-C4' energy: -143.378 flat angles C4'-P-C4' energy: -172.694 flat angles P-C4'-P energy: -114.024 tors. eta vs tors. theta energy: -201.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2402.544762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.544762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.544762 (E_RNA) where: Base-Base interactions energy: -1634.698 where: short stacking energy: -692.052 Base-Backbone interact. energy: -3.062 local terms energy: -764.784610 where: bonds (distance) C4'-P energy: -149.075 bonds (distance) P-C4' energy: -152.528 flat angles C4'-P-C4' energy: -162.875 flat angles P-C4'-P energy: -110.282 tors. eta vs tors. theta energy: -190.025 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: 181 Temperature: 1.000000 Total energy: -2325.617824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.617824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.617824 (E_RNA) where: Base-Base interactions energy: -1631.482 where: short stacking energy: -648.156 Base-Backbone interact. energy: -0.814 local terms energy: -693.322116 where: bonds (distance) C4'-P energy: -117.735 bonds (distance) P-C4' energy: -157.844 flat angles C4'-P-C4' energy: -152.526 flat angles P-C4'-P energy: -94.209 tors. eta vs tors. theta energy: -171.008 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: 4, replica: 3 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2223.698569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.698569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.698569 (E_RNA) where: Base-Base interactions energy: -1498.864 where: short stacking energy: -671.099 Base-Backbone interact. energy: 0.059 local terms energy: -724.893163 where: bonds (distance) C4'-P energy: -130.582 bonds (distance) P-C4' energy: -144.240 flat angles C4'-P-C4' energy: -154.476 flat angles P-C4'-P energy: -112.416 tors. eta vs tors. theta energy: -183.179 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: 6 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2013.179378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.179378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.179378 (E_RNA) where: Base-Base interactions energy: -1367.166 where: short stacking energy: -559.371 Base-Backbone interact. energy: 3.000 local terms energy: -649.013203 where: bonds (distance) C4'-P energy: -128.056 bonds (distance) P-C4' energy: -125.068 flat angles C4'-P-C4' energy: -158.171 flat angles P-C4'-P energy: -90.896 tors. eta vs tors. theta energy: -146.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1829.997372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.997372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.997372 (E_RNA) where: Base-Base interactions energy: -1203.122 where: short stacking energy: -514.518 Base-Backbone interact. energy: 3.035 local terms energy: -629.910043 where: bonds (distance) C4'-P energy: -129.940 bonds (distance) P-C4' energy: -141.272 flat angles C4'-P-C4' energy: -140.966 flat angles P-C4'-P energy: -94.090 tors. eta vs tors. theta energy: -123.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1547.744124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.744124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.744124 (E_RNA) where: Base-Base interactions energy: -979.954 where: short stacking energy: -445.786 Base-Backbone interact. energy: 1.576 local terms energy: -569.366432 where: bonds (distance) C4'-P energy: -120.833 bonds (distance) P-C4' energy: -150.368 flat angles C4'-P-C4' energy: -126.270 flat angles P-C4'-P energy: -80.324 tors. eta vs tors. theta energy: -91.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1529.485003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.485003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.485003 (E_RNA) where: Base-Base interactions energy: -953.708 where: short stacking energy: -459.824 Base-Backbone interact. energy: -0.792 local terms energy: -574.985612 where: bonds (distance) C4'-P energy: -132.923 bonds (distance) P-C4' energy: -124.406 flat angles C4'-P-C4' energy: -132.317 flat angles P-C4'-P energy: -80.884 tors. eta vs tors. theta energy: -104.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -1002.243382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.243382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.243382 (E_RNA) where: Base-Base interactions energy: -571.258 where: short stacking energy: -298.283 Base-Backbone interact. energy: 4.547 local terms energy: -435.532360 where: bonds (distance) C4'-P energy: -117.549 bonds (distance) P-C4' energy: -127.225 flat angles C4'-P-C4' energy: -106.672 flat angles P-C4'-P energy: -49.516 tors. eta vs tors. theta energy: -34.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -1065.441404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.441404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.441404 (E_RNA) where: Base-Base interactions energy: -637.586 where: short stacking energy: -320.992 Base-Backbone interact. energy: -1.935 local terms energy: -425.920666 where: bonds (distance) C4'-P energy: -104.866 bonds (distance) P-C4' energy: -111.828 flat angles C4'-P-C4' energy: -99.616 flat angles P-C4'-P energy: -78.583 tors. eta vs tors. theta energy: -31.027 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: 2 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2543.821026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.821026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.821026 (E_RNA) where: Base-Base interactions energy: -1755.260 where: short stacking energy: -738.603 Base-Backbone interact. energy: -3.912 local terms energy: -785.141389 where: bonds (distance) C4'-P energy: -147.169 bonds (distance) P-C4' energy: -144.863 flat angles C4'-P-C4' energy: -171.080 flat angles P-C4'-P energy: -110.584 tors. eta vs tors. theta energy: -211.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.493 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2428.205287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.205287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.205287 (E_RNA) where: Base-Base interactions energy: -1677.114 where: short stacking energy: -707.419 Base-Backbone interact. energy: -0.354 local terms energy: -750.737389 where: bonds (distance) C4'-P energy: -124.091 bonds (distance) P-C4' energy: -153.590 flat angles C4'-P-C4' energy: -170.255 flat angles P-C4'-P energy: -110.984 tors. eta vs tors. theta energy: -191.818 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: 182 Temperature: 1.000000 Total energy: -2324.330504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.330504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.330504 (E_RNA) where: Base-Base interactions energy: -1613.140 where: short stacking energy: -657.421 Base-Backbone interact. energy: -3.133 local terms energy: -708.056945 where: bonds (distance) C4'-P energy: -141.775 bonds (distance) P-C4' energy: -131.556 flat angles C4'-P-C4' energy: -142.783 flat angles P-C4'-P energy: -106.283 tors. eta vs tors. theta energy: -185.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2252.848254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.848254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.848254 (E_RNA) where: Base-Base interactions energy: -1524.905 where: short stacking energy: -676.515 Base-Backbone interact. energy: -1.111 local terms energy: -726.832245 where: bonds (distance) C4'-P energy: -133.044 bonds (distance) P-C4' energy: -148.967 flat angles C4'-P-C4' energy: -144.470 flat angles P-C4'-P energy: -107.522 tors. eta vs tors. theta energy: -192.830 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: 5, replica: 6 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2017.892435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.892435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.892435 (E_RNA) where: Base-Base interactions energy: -1349.227 where: short stacking energy: -582.472 Base-Backbone interact. energy: -0.166 local terms energy: -668.499359 where: bonds (distance) C4'-P energy: -137.402 bonds (distance) P-C4' energy: -149.338 flat angles C4'-P-C4' energy: -139.046 flat angles P-C4'-P energy: -81.797 tors. eta vs tors. theta energy: -160.917 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: 182 Temperature: 1.150000 Total energy: -1886.381084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.381084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.381084 (E_RNA) where: Base-Base interactions energy: -1254.799 where: short stacking energy: -535.918 Base-Backbone interact. energy: -1.736 local terms energy: -629.846379 where: bonds (distance) C4'-P energy: -121.966 bonds (distance) P-C4' energy: -138.638 flat angles C4'-P-C4' energy: -150.244 flat angles P-C4'-P energy: -88.352 tors. eta vs tors. theta energy: -130.647 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: 9 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1622.331004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.331004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.331004 (E_RNA) where: Base-Base interactions energy: -1067.173 where: short stacking energy: -492.925 Base-Backbone interact. energy: -0.680 local terms energy: -554.477693 where: bonds (distance) C4'-P energy: -105.309 bonds (distance) P-C4' energy: -120.886 flat angles C4'-P-C4' energy: -129.593 flat angles P-C4'-P energy: -81.888 tors. eta vs tors. theta energy: -116.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1461.478820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.478820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.478820 (E_RNA) where: Base-Base interactions energy: -931.144 where: short stacking energy: -435.027 Base-Backbone interact. energy: 0.785 local terms energy: -531.119362 where: bonds (distance) C4'-P energy: -122.275 bonds (distance) P-C4' energy: -126.542 flat angles C4'-P-C4' energy: -113.306 flat angles P-C4'-P energy: -61.870 tors. eta vs tors. theta energy: -107.125 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: 182 Temperature: 1.300000 Total energy: -1162.812354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.812354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.812354 (E_RNA) where: Base-Base interactions energy: -697.645 where: short stacking energy: -331.416 Base-Backbone interact. energy: 1.621 local terms energy: -466.788089 where: bonds (distance) C4'-P energy: -103.077 bonds (distance) P-C4' energy: -144.629 flat angles C4'-P-C4' energy: -108.778 flat angles P-C4'-P energy: -67.821 tors. eta vs tors. theta energy: -42.484 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: 1 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -926.813915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.813915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.813915 (E_RNA) where: Base-Base interactions energy: -522.279 where: short stacking energy: -252.530 Base-Backbone interact. energy: 5.946 local terms energy: -410.480941 where: bonds (distance) C4'-P energy: -113.718 bonds (distance) P-C4' energy: -145.619 flat angles C4'-P-C4' energy: -93.608 flat angles P-C4'-P energy: -50.281 tors. eta vs tors. theta energy: -7.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2557.603793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.603793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.603793 (E_RNA) where: Base-Base interactions energy: -1749.384 where: short stacking energy: -747.881 Base-Backbone interact. energy: -0.377 local terms energy: -807.842715 where: bonds (distance) C4'-P energy: -136.608 bonds (distance) P-C4' energy: -162.520 flat angles C4'-P-C4' energy: -167.608 flat angles P-C4'-P energy: -120.422 tors. eta vs tors. theta energy: -220.684 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: 2, replica: 8 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2429.961107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.961107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.961107 (E_RNA) where: Base-Base interactions energy: -1667.227 where: short stacking energy: -699.720 Base-Backbone interact. energy: -4.449 local terms energy: -758.284994 where: bonds (distance) C4'-P energy: -149.985 bonds (distance) P-C4' energy: -151.051 flat angles C4'-P-C4' energy: -168.304 flat angles P-C4'-P energy: -90.586 tors. eta vs tors. theta energy: -198.359 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: 183 Temperature: 1.000000 Total energy: -2300.834776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.834776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.834776 (E_RNA) where: Base-Base interactions energy: -1581.472 where: short stacking energy: -662.133 Base-Backbone interact. energy: -4.121 local terms energy: -715.241135 where: bonds (distance) C4'-P energy: -128.000 bonds (distance) P-C4' energy: -139.705 flat angles C4'-P-C4' energy: -162.062 flat angles P-C4'-P energy: -93.710 tors. eta vs tors. theta energy: -191.765 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: 3 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2242.891892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.891892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.891892 (E_RNA) where: Base-Base interactions energy: -1533.630 where: short stacking energy: -650.554 Base-Backbone interact. energy: -1.663 local terms energy: -707.598382 where: bonds (distance) C4'-P energy: -141.354 bonds (distance) P-C4' energy: -144.979 flat angles C4'-P-C4' energy: -141.932 flat angles P-C4'-P energy: -95.759 tors. eta vs tors. theta energy: -183.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1955.977601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.977601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.977601 (E_RNA) where: Base-Base interactions energy: -1314.710 where: short stacking energy: -541.038 Base-Backbone interact. energy: 2.846 local terms energy: -644.113284 where: bonds (distance) C4'-P energy: -133.908 bonds (distance) P-C4' energy: -143.344 flat angles C4'-P-C4' energy: -153.312 flat angles P-C4'-P energy: -78.775 tors. eta vs tors. theta energy: -134.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1896.129788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.129788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.129788 (E_RNA) where: Base-Base interactions energy: -1261.929 where: short stacking energy: -566.926 Base-Backbone interact. energy: 8.394 local terms energy: -642.895716 where: bonds (distance) C4'-P energy: -136.539 bonds (distance) P-C4' energy: -145.603 flat angles C4'-P-C4' energy: -146.012 flat angles P-C4'-P energy: -91.837 tors. eta vs tors. theta energy: -122.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.300 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1639.471986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.471986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.471986 (E_RNA) where: Base-Base interactions energy: -1059.547 where: short stacking energy: -447.704 Base-Backbone interact. energy: 2.213 local terms energy: -582.137127 where: bonds (distance) C4'-P energy: -120.756 bonds (distance) P-C4' energy: -140.900 flat angles C4'-P-C4' energy: -131.790 flat angles P-C4'-P energy: -92.469 tors. eta vs tors. theta energy: -96.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1463.402037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.402037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.402037 (E_RNA) where: Base-Base interactions energy: -953.792 where: short stacking energy: -430.344 Base-Backbone interact. energy: -0.436 local terms energy: -509.174242 where: bonds (distance) C4'-P energy: -99.358 bonds (distance) P-C4' energy: -130.876 flat angles C4'-P-C4' energy: -125.443 flat angles P-C4'-P energy: -62.364 tors. eta vs tors. theta energy: -91.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1175.321879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.321879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.321879 (E_RNA) where: Base-Base interactions energy: -720.787 where: short stacking energy: -333.546 Base-Backbone interact. energy: 3.818 local terms energy: -458.352613 where: bonds (distance) C4'-P energy: -112.160 bonds (distance) P-C4' energy: -110.735 flat angles C4'-P-C4' energy: -114.827 flat angles P-C4'-P energy: -75.835 tors. eta vs tors. theta energy: -44.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -943.249442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.249442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.249442 (E_RNA) where: Base-Base interactions energy: -532.084 where: short stacking energy: -262.752 Base-Backbone interact. energy: -2.629 local terms energy: -408.535919 where: bonds (distance) C4'-P energy: -105.145 bonds (distance) P-C4' energy: -116.885 flat angles C4'-P-C4' energy: -108.245 flat angles P-C4'-P energy: -60.898 tors. eta vs tors. theta energy: -17.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2543.853429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.853429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.853429 (E_RNA) where: Base-Base interactions energy: -1765.241 where: short stacking energy: -729.672 Base-Backbone interact. energy: -1.648 local terms energy: -776.965000 where: bonds (distance) C4'-P energy: -136.117 bonds (distance) P-C4' energy: -154.828 flat angles C4'-P-C4' energy: -159.629 flat angles P-C4'-P energy: -115.063 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: 2, replica: 8 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2392.585138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.585138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.585138 (E_RNA) where: Base-Base interactions energy: -1653.654 where: short stacking energy: -692.516 Base-Backbone interact. energy: 1.323 local terms energy: -740.254666 where: bonds (distance) C4'-P energy: -146.162 bonds (distance) P-C4' energy: -128.312 flat angles C4'-P-C4' energy: -168.736 flat angles P-C4'-P energy: -108.634 tors. eta vs tors. theta energy: -188.411 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: 4 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2335.490689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.490689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.490689 (E_RNA) where: Base-Base interactions energy: -1589.226 where: short stacking energy: -660.099 Base-Backbone interact. energy: -2.321 local terms energy: -743.944354 where: bonds (distance) C4'-P energy: -141.925 bonds (distance) P-C4' energy: -153.840 flat angles C4'-P-C4' energy: -150.653 flat angles P-C4'-P energy: -107.627 tors. eta vs tors. theta energy: -189.900 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: 3 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2265.034059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.034059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.034059 (E_RNA) where: Base-Base interactions energy: -1523.972 where: short stacking energy: -644.530 Base-Backbone interact. energy: -1.525 local terms energy: -739.536754 where: bonds (distance) C4'-P energy: -128.002 bonds (distance) P-C4' energy: -137.629 flat angles C4'-P-C4' energy: -167.975 flat angles P-C4'-P energy: -113.177 tors. eta vs tors. theta energy: -192.754 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: 6 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -2011.776649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.776649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.776649 (E_RNA) where: Base-Base interactions energy: -1398.244 where: short stacking energy: -611.135 Base-Backbone interact. energy: 5.990 local terms energy: -619.522478 where: bonds (distance) C4'-P energy: -114.886 bonds (distance) P-C4' energy: -124.747 flat angles C4'-P-C4' energy: -135.833 flat angles P-C4'-P energy: -87.006 tors. eta vs tors. theta energy: -157.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1807.501566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.501566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.501566 (E_RNA) where: Base-Base interactions energy: -1168.023 where: short stacking energy: -503.517 Base-Backbone interact. energy: -1.577 local terms energy: -637.901900 where: bonds (distance) C4'-P energy: -128.791 bonds (distance) P-C4' energy: -142.449 flat angles C4'-P-C4' energy: -142.851 flat angles P-C4'-P energy: -105.397 tors. eta vs tors. theta energy: -118.415 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: 7, replica: 9 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1650.429144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.429144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.429144 (E_RNA) where: Base-Base interactions energy: -1055.402 where: short stacking energy: -498.528 Base-Backbone interact. energy: 0.077 local terms energy: -595.104924 where: bonds (distance) C4'-P energy: -107.277 bonds (distance) P-C4' energy: -135.040 flat angles C4'-P-C4' energy: -137.413 flat angles P-C4'-P energy: -94.608 tors. eta vs tors. theta energy: -120.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1501.437252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.437252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.437252 (E_RNA) where: Base-Base interactions energy: -969.262 where: short stacking energy: -433.007 Base-Backbone interact. energy: -2.536 local terms energy: -529.639771 where: bonds (distance) C4'-P energy: -104.747 bonds (distance) P-C4' energy: -124.678 flat angles C4'-P-C4' energy: -127.452 flat angles P-C4'-P energy: -78.545 tors. eta vs tors. theta energy: -94.217 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: 184 Temperature: 1.300000 Total energy: -1113.446020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.446020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.446020 (E_RNA) where: Base-Base interactions energy: -626.361 where: short stacking energy: -301.077 Base-Backbone interact. energy: -2.500 local terms energy: -484.585393 where: bonds (distance) C4'-P energy: -119.058 bonds (distance) P-C4' energy: -147.613 flat angles C4'-P-C4' energy: -102.918 flat angles P-C4'-P energy: -75.672 tors. eta vs tors. theta energy: -39.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -839.209560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.209560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.209560 (E_RNA) where: Base-Base interactions energy: -415.171 where: short stacking energy: -223.177 Base-Backbone interact. energy: 5.310 local terms energy: -429.347889 where: bonds (distance) C4'-P energy: -117.233 bonds (distance) P-C4' energy: -130.874 flat angles C4'-P-C4' energy: -123.977 flat angles P-C4'-P energy: -69.039 tors. eta vs tors. theta energy: 11.776 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: 1, replica: 2 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2582.431116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.431116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.431116 (E_RNA) where: Base-Base interactions energy: -1797.057 where: short stacking energy: -739.190 Base-Backbone interact. energy: 3.494 local terms energy: -788.868770 where: bonds (distance) C4'-P energy: -144.752 bonds (distance) P-C4' energy: -161.250 flat angles C4'-P-C4' energy: -177.224 flat angles P-C4'-P energy: -92.291 tors. eta vs tors. theta energy: -213.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2436.260552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.260552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.260552 (E_RNA) where: Base-Base interactions energy: -1682.446 where: short stacking energy: -694.914 Base-Backbone interact. energy: -4.695 local terms energy: -749.119388 where: bonds (distance) C4'-P energy: -139.734 bonds (distance) P-C4' energy: -162.153 flat angles C4'-P-C4' energy: -153.567 flat angles P-C4'-P energy: -102.957 tors. eta vs tors. theta energy: -190.709 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: 8 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2352.226368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.226368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.226368 (E_RNA) where: Base-Base interactions energy: -1615.052 where: short stacking energy: -669.896 Base-Backbone interact. energy: 2.351 local terms energy: -739.525498 where: bonds (distance) C4'-P energy: -131.827 bonds (distance) P-C4' energy: -154.737 flat angles C4'-P-C4' energy: -169.747 flat angles P-C4'-P energy: -90.000 tors. eta vs tors. theta energy: -193.214 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: 3 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2233.497729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.497729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.497729 (E_RNA) where: Base-Base interactions energy: -1527.779 where: short stacking energy: -674.175 Base-Backbone interact. energy: -0.543 local terms energy: -705.176569 where: bonds (distance) C4'-P energy: -119.297 bonds (distance) P-C4' energy: -136.356 flat angles C4'-P-C4' energy: -158.658 flat angles P-C4'-P energy: -98.356 tors. eta vs tors. theta energy: -192.509 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: 5, replica: 6 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1982.726400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.726400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.726400 (E_RNA) where: Base-Base interactions energy: -1327.536 where: short stacking energy: -560.670 Base-Backbone interact. energy: -3.626 local terms energy: -651.564672 where: bonds (distance) C4'-P energy: -127.731 bonds (distance) P-C4' energy: -138.103 flat angles C4'-P-C4' energy: -138.451 flat angles P-C4'-P energy: -80.357 tors. eta vs tors. theta energy: -166.923 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: 7 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1804.448709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.448709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.448709 (E_RNA) where: Base-Base interactions energy: -1184.808 where: short stacking energy: -512.649 Base-Backbone interact. energy: -3.390 local terms energy: -616.250404 where: bonds (distance) C4'-P energy: -129.584 bonds (distance) P-C4' energy: -147.278 flat angles C4'-P-C4' energy: -146.665 flat angles P-C4'-P energy: -74.760 tors. eta vs tors. theta energy: -117.964 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: 185 Temperature: 1.200000 Total energy: -1691.257795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.257795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.257795 (E_RNA) where: Base-Base interactions energy: -1092.523 where: short stacking energy: -447.807 Base-Backbone interact. energy: -3.053 local terms energy: -595.682035 where: bonds (distance) C4'-P energy: -132.147 bonds (distance) P-C4' energy: -134.121 flat angles C4'-P-C4' energy: -144.088 flat angles P-C4'-P energy: -79.129 tors. eta vs tors. theta energy: -106.196 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: 5 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1479.184331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.184331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.184331 (E_RNA) where: Base-Base interactions energy: -925.969 where: short stacking energy: -421.712 Base-Backbone interact. energy: 0.087 local terms energy: -553.302825 where: bonds (distance) C4'-P energy: -121.641 bonds (distance) P-C4' energy: -138.005 flat angles C4'-P-C4' energy: -126.102 flat angles P-C4'-P energy: -65.009 tors. eta vs tors. theta energy: -102.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -1041.266131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.266131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.266131 (E_RNA) where: Base-Base interactions energy: -581.826 where: short stacking energy: -290.317 Base-Backbone interact. energy: -2.378 local terms energy: -457.061855 where: bonds (distance) C4'-P energy: -124.431 bonds (distance) P-C4' energy: -126.129 flat angles C4'-P-C4' energy: -113.774 flat angles P-C4'-P energy: -65.207 tors. eta vs tors. theta energy: -27.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -776.848183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.848183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.848183 (E_RNA) where: Base-Base interactions energy: -374.902 where: short stacking energy: -191.788 Base-Backbone interact. energy: -0.680 local terms energy: -401.266126 where: bonds (distance) C4'-P energy: -98.390 bonds (distance) P-C4' energy: -123.133 flat angles C4'-P-C4' energy: -124.940 flat angles P-C4'-P energy: -54.214 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: 1, replica: 2 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2573.447059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.447059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.447059 (E_RNA) where: Base-Base interactions energy: -1781.425 where: short stacking energy: -749.325 Base-Backbone interact. energy: -2.689 local terms energy: -789.333430 where: bonds (distance) C4'-P energy: -158.156 bonds (distance) P-C4' energy: -134.517 flat angles C4'-P-C4' energy: -161.445 flat angles P-C4'-P energy: -121.673 tors. eta vs tors. theta energy: -213.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2437.829286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.829286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.829286 (E_RNA) where: Base-Base interactions energy: -1700.781 where: short stacking energy: -714.988 Base-Backbone interact. energy: -1.626 local terms energy: -735.422392 where: bonds (distance) C4'-P energy: -128.758 bonds (distance) P-C4' energy: -143.804 flat angles C4'-P-C4' energy: -163.028 flat angles P-C4'-P energy: -96.132 tors. eta vs tors. theta energy: -203.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2341.905876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.905876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.905876 (E_RNA) where: Base-Base interactions energy: -1595.664 where: short stacking energy: -664.124 Base-Backbone interact. energy: -3.216 local terms energy: -743.025702 where: bonds (distance) C4'-P energy: -138.976 bonds (distance) P-C4' energy: -144.944 flat angles C4'-P-C4' energy: -149.655 flat angles P-C4'-P energy: -120.261 tors. eta vs tors. theta energy: -189.190 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: 4, replica: 3 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2283.693499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.693499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.693499 (E_RNA) where: Base-Base interactions energy: -1550.406 where: short stacking energy: -690.035 Base-Backbone interact. energy: -2.222 local terms energy: -731.066282 where: bonds (distance) C4'-P energy: -131.748 bonds (distance) P-C4' energy: -137.166 flat angles C4'-P-C4' energy: -151.015 flat angles P-C4'-P energy: -119.643 tors. eta vs tors. theta energy: -191.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -2005.445350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.445350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.445350 (E_RNA) where: Base-Base interactions energy: -1368.849 where: short stacking energy: -580.789 Base-Backbone interact. energy: -1.280 local terms energy: -635.316851 where: bonds (distance) C4'-P energy: -131.663 bonds (distance) P-C4' energy: -130.997 flat angles C4'-P-C4' energy: -124.302 flat angles P-C4'-P energy: -91.966 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: 6, replica: 7 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1754.469398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.469398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.469398 (E_RNA) where: Base-Base interactions energy: -1130.818 where: short stacking energy: -486.064 Base-Backbone interact. energy: -1.885 local terms energy: -621.766714 where: bonds (distance) C4'-P energy: -139.190 bonds (distance) P-C4' energy: -131.502 flat angles C4'-P-C4' energy: -150.318 flat angles P-C4'-P energy: -91.686 tors. eta vs tors. theta energy: -109.071 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: 9 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1677.432528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.432528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.432528 (E_RNA) where: Base-Base interactions energy: -1086.114 where: short stacking energy: -483.776 Base-Backbone interact. energy: -1.863 local terms energy: -589.455378 where: bonds (distance) C4'-P energy: -127.682 bonds (distance) P-C4' energy: -136.469 flat angles C4'-P-C4' energy: -126.800 flat angles P-C4'-P energy: -90.474 tors. eta vs tors. theta energy: -108.031 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: 5 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1425.597902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.597902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.597902 (E_RNA) where: Base-Base interactions energy: -856.407 where: short stacking energy: -380.219 Base-Backbone interact. energy: 0.736 local terms energy: -569.926594 where: bonds (distance) C4'-P energy: -132.315 bonds (distance) P-C4' energy: -129.259 flat angles C4'-P-C4' energy: -137.698 flat angles P-C4'-P energy: -88.522 tors. eta vs tors. theta energy: -82.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -1096.314314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.314314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.314314 (E_RNA) where: Base-Base interactions energy: -641.688 where: short stacking energy: -314.579 Base-Backbone interact. energy: -0.957 local terms energy: -453.669792 where: bonds (distance) C4'-P energy: -121.634 bonds (distance) P-C4' energy: -148.872 flat angles C4'-P-C4' energy: -75.723 flat angles P-C4'-P energy: -89.830 tors. eta vs tors. theta energy: -17.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -849.102155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.102155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.102155 (E_RNA) where: Base-Base interactions energy: -410.399 where: short stacking energy: -215.231 Base-Backbone interact. energy: -0.343 local terms energy: -438.359945 where: bonds (distance) C4'-P energy: -116.759 bonds (distance) P-C4' energy: -140.479 flat angles C4'-P-C4' energy: -98.351 flat angles P-C4'-P energy: -80.392 tors. eta vs tors. theta energy: -2.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2609.040612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.040612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.040612 (E_RNA) where: Base-Base interactions energy: -1817.204 where: short stacking energy: -760.186 Base-Backbone interact. energy: -0.182 local terms energy: -791.654798 where: bonds (distance) C4'-P energy: -152.663 bonds (distance) P-C4' energy: -148.997 flat angles C4'-P-C4' energy: -170.510 flat angles P-C4'-P energy: -107.197 tors. eta vs tors. theta energy: -212.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2422.250687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.250687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.250687 (E_RNA) where: Base-Base interactions energy: -1664.050 where: short stacking energy: -687.939 Base-Backbone interact. energy: 3.804 local terms energy: -762.004708 where: bonds (distance) C4'-P energy: -148.641 bonds (distance) P-C4' energy: -158.916 flat angles C4'-P-C4' energy: -165.238 flat angles P-C4'-P energy: -108.670 tors. eta vs tors. theta energy: -180.540 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: 8 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2349.050442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.050442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.050442 (E_RNA) where: Base-Base interactions energy: -1617.071 where: short stacking energy: -706.948 Base-Backbone interact. energy: -3.066 local terms energy: -728.913397 where: bonds (distance) C4'-P energy: -138.269 bonds (distance) P-C4' energy: -155.053 flat angles C4'-P-C4' energy: -156.342 flat angles P-C4'-P energy: -90.380 tors. eta vs tors. theta energy: -188.870 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: 3 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2239.442092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.442092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.442092 (E_RNA) where: Base-Base interactions energy: -1498.046 where: short stacking energy: -648.521 Base-Backbone interact. energy: -1.467 local terms energy: -739.929559 where: bonds (distance) C4'-P energy: -136.018 bonds (distance) P-C4' energy: -143.761 flat angles C4'-P-C4' energy: -161.680 flat angles P-C4'-P energy: -94.228 tors. eta vs tors. theta energy: -204.243 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: 187 Temperature: 1.100000 Total energy: -2013.753052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.753052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.753052 (E_RNA) where: Base-Base interactions energy: -1356.984 where: short stacking energy: -575.587 Base-Backbone interact. energy: -3.204 local terms energy: -653.565218 where: bonds (distance) C4'-P energy: -123.373 bonds (distance) P-C4' energy: -139.406 flat angles C4'-P-C4' energy: -140.610 flat angles P-C4'-P energy: -94.696 tors. eta vs tors. theta energy: -155.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1742.981445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.981445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.981445 (E_RNA) where: Base-Base interactions energy: -1145.226 where: short stacking energy: -504.456 Base-Backbone interact. energy: -1.293 local terms energy: -596.462435 where: bonds (distance) C4'-P energy: -137.076 bonds (distance) P-C4' energy: -127.079 flat angles C4'-P-C4' energy: -126.515 flat angles P-C4'-P energy: -91.144 tors. eta vs tors. theta energy: -114.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1675.271034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.271034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.271034 (E_RNA) where: Base-Base interactions energy: -1075.035 where: short stacking energy: -496.936 Base-Backbone interact. energy: -0.775 local terms energy: -599.460257 where: bonds (distance) C4'-P energy: -122.658 bonds (distance) P-C4' energy: -128.832 flat angles C4'-P-C4' energy: -136.785 flat angles P-C4'-P energy: -90.566 tors. eta vs tors. theta energy: -120.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1482.660407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.660407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.660407 (E_RNA) where: Base-Base interactions energy: -946.146 where: short stacking energy: -415.091 Base-Backbone interact. energy: -1.118 local terms energy: -535.396165 where: bonds (distance) C4'-P energy: -109.809 bonds (distance) P-C4' energy: -133.787 flat angles C4'-P-C4' energy: -124.428 flat angles P-C4'-P energy: -75.899 tors. eta vs tors. theta energy: -91.473 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: 9, replica: 10 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -1149.254544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.254544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.254544 (E_RNA) where: Base-Base interactions energy: -703.354 where: short stacking energy: -338.011 Base-Backbone interact. energy: -0.199 local terms energy: -445.701422 where: bonds (distance) C4'-P energy: -100.473 bonds (distance) P-C4' energy: -107.677 flat angles C4'-P-C4' energy: -110.374 flat angles P-C4'-P energy: -75.685 tors. eta vs tors. theta energy: -51.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -777.524717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.524717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.524717 (E_RNA) where: Base-Base interactions energy: -376.757 where: short stacking energy: -197.954 Base-Backbone interact. energy: -1.943 local terms energy: -398.824321 where: bonds (distance) C4'-P energy: -115.270 bonds (distance) P-C4' energy: -122.435 flat angles C4'-P-C4' energy: -109.033 flat angles P-C4'-P energy: -63.799 tors. eta vs tors. theta energy: 11.713 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: 2 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2566.437889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.437889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.437889 (E_RNA) where: Base-Base interactions energy: -1759.091 where: short stacking energy: -731.991 Base-Backbone interact. energy: -3.983 local terms energy: -803.363511 where: bonds (distance) C4'-P energy: -146.465 bonds (distance) P-C4' energy: -151.211 flat angles C4'-P-C4' energy: -162.770 flat angles P-C4'-P energy: -124.370 tors. eta vs tors. theta energy: -218.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2415.742472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.742472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.742472 (E_RNA) where: Base-Base interactions energy: -1650.519 where: short stacking energy: -672.879 Base-Backbone interact. energy: 4.331 local terms energy: -769.554812 where: bonds (distance) C4'-P energy: -146.314 bonds (distance) P-C4' energy: -151.327 flat angles C4'-P-C4' energy: -164.856 flat angles P-C4'-P energy: -119.612 tors. eta vs tors. theta energy: -187.447 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: 3, replica: 8 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2323.827109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.827109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.827109 (E_RNA) where: Base-Base interactions energy: -1577.540 where: short stacking energy: -631.975 Base-Backbone interact. energy: -3.381 local terms energy: -742.905976 where: bonds (distance) C4'-P energy: -128.611 bonds (distance) P-C4' energy: -144.009 flat angles C4'-P-C4' energy: -172.041 flat angles P-C4'-P energy: -110.113 tors. eta vs tors. theta energy: -188.132 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: 4, replica: 3 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2265.759558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.759558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.759558 (E_RNA) where: Base-Base interactions energy: -1551.730 where: short stacking energy: -671.493 Base-Backbone interact. energy: -2.518 local terms energy: -711.511332 where: bonds (distance) C4'-P energy: -147.698 bonds (distance) P-C4' energy: -137.568 flat angles C4'-P-C4' energy: -148.708 flat angles P-C4'-P energy: -87.458 tors. eta vs tors. theta energy: -190.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2022.816275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.816275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.816275 (E_RNA) where: Base-Base interactions energy: -1360.147 where: short stacking energy: -558.395 Base-Backbone interact. energy: -1.986 local terms energy: -660.683593 where: bonds (distance) C4'-P energy: -111.464 bonds (distance) P-C4' energy: -142.494 flat angles C4'-P-C4' energy: -153.960 flat angles P-C4'-P energy: -90.272 tors. eta vs tors. theta energy: -162.494 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: 7 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1820.636913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.636913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.636913 (E_RNA) where: Base-Base interactions energy: -1197.875 where: short stacking energy: -517.338 Base-Backbone interact. energy: -1.758 local terms energy: -621.004564 where: bonds (distance) C4'-P energy: -111.287 bonds (distance) P-C4' energy: -134.000 flat angles C4'-P-C4' energy: -152.764 flat angles P-C4'-P energy: -88.778 tors. eta vs tors. theta energy: -134.175 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: 188 Temperature: 1.200000 Total energy: -1680.993060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.993060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.993060 (E_RNA) where: Base-Base interactions energy: -1087.344 where: short stacking energy: -512.484 Base-Backbone interact. energy: 1.187 local terms energy: -594.835733 where: bonds (distance) C4'-P energy: -127.351 bonds (distance) P-C4' energy: -116.681 flat angles C4'-P-C4' energy: -142.916 flat angles P-C4'-P energy: -72.974 tors. eta vs tors. theta energy: -134.914 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: 5 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1447.561859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.561859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.561859 (E_RNA) where: Base-Base interactions energy: -912.157 where: short stacking energy: -443.340 Base-Backbone interact. energy: -2.642 local terms energy: -532.762266 where: bonds (distance) C4'-P energy: -113.373 bonds (distance) P-C4' energy: -132.705 flat angles C4'-P-C4' energy: -140.954 flat angles P-C4'-P energy: -71.155 tors. eta vs tors. theta energy: -74.575 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: 9, replica: 10 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -1087.598899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.598899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.598899 (E_RNA) where: Base-Base interactions energy: -652.939 where: short stacking energy: -321.590 Base-Backbone interact. energy: 1.508 local terms energy: -436.167173 where: bonds (distance) C4'-P energy: -104.970 bonds (distance) P-C4' energy: -121.789 flat angles C4'-P-C4' energy: -119.108 flat angles P-C4'-P energy: -66.645 tors. eta vs tors. theta energy: -23.654 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: 10, replica: 1 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -817.831640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.831640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.831640 (E_RNA) where: Base-Base interactions energy: -407.450 where: short stacking energy: -214.703 Base-Backbone interact. energy: 0.577 local terms energy: -410.958316 where: bonds (distance) C4'-P energy: -132.761 bonds (distance) P-C4' energy: -115.739 flat angles C4'-P-C4' energy: -94.400 flat angles P-C4'-P energy: -67.896 tors. eta vs tors. theta energy: -0.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -2589.248524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.248524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.248524 (E_RNA) where: Base-Base interactions energy: -1786.808 where: short stacking energy: -748.782 Base-Backbone interact. energy: -1.434 local terms energy: -801.006137 where: bonds (distance) C4'-P energy: -147.869 bonds (distance) P-C4' energy: -163.283 flat angles C4'-P-C4' energy: -165.746 flat angles P-C4'-P energy: -112.940 tors. eta vs tors. theta energy: -211.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2428.869449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.869449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.869449 (E_RNA) where: Base-Base interactions energy: -1688.751 where: short stacking energy: -694.620 Base-Backbone interact. energy: -1.872 local terms energy: -738.246613 where: bonds (distance) C4'-P energy: -143.597 bonds (distance) P-C4' energy: -146.599 flat angles C4'-P-C4' energy: -159.098 flat angles P-C4'-P energy: -108.589 tors. eta vs tors. theta energy: -180.364 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: 8 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2311.058855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.058855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.058855 (E_RNA) where: Base-Base interactions energy: -1590.819 where: short stacking energy: -687.587 Base-Backbone interact. energy: -3.839 local terms energy: -716.401093 where: bonds (distance) C4'-P energy: -130.030 bonds (distance) P-C4' energy: -130.977 flat angles C4'-P-C4' energy: -145.989 flat angles P-C4'-P energy: -113.937 tors. eta vs tors. theta energy: -195.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2290.391079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.391079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.391079 (E_RNA) where: Base-Base interactions energy: -1549.663 where: short stacking energy: -683.556 Base-Backbone interact. energy: -2.037 local terms energy: -738.690519 where: bonds (distance) C4'-P energy: -132.608 bonds (distance) P-C4' energy: -140.205 flat angles C4'-P-C4' energy: -153.906 flat angles P-C4'-P energy: -115.455 tors. eta vs tors. theta energy: -196.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2066.663172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.663172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.663172 (E_RNA) where: Base-Base interactions energy: -1408.954 where: short stacking energy: -570.405 Base-Backbone interact. energy: 0.023 local terms energy: -657.731918 where: bonds (distance) C4'-P energy: -111.757 bonds (distance) P-C4' energy: -139.665 flat angles C4'-P-C4' energy: -152.486 flat angles P-C4'-P energy: -90.653 tors. eta vs tors. theta energy: -163.171 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: 6, replica: 7 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1802.394064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.394064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.394064 (E_RNA) where: Base-Base interactions energy: -1179.392 where: short stacking energy: -536.250 Base-Backbone interact. energy: 2.618 local terms energy: -625.620478 where: bonds (distance) C4'-P energy: -118.671 bonds (distance) P-C4' energy: -127.477 flat angles C4'-P-C4' energy: -139.081 flat angles P-C4'-P energy: -112.808 tors. eta vs tors. theta energy: -127.583 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: 7, replica: 9 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1612.744570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.744570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.744570 (E_RNA) where: Base-Base interactions energy: -1035.913 where: short stacking energy: -454.405 Base-Backbone interact. energy: 3.206 local terms energy: -580.037010 where: bonds (distance) C4'-P energy: -121.008 bonds (distance) P-C4' energy: -128.642 flat angles C4'-P-C4' energy: -137.035 flat angles P-C4'-P energy: -86.211 tors. eta vs tors. theta energy: -107.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1458.946889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.946889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.946889 (E_RNA) where: Base-Base interactions energy: -924.706 where: short stacking energy: -438.057 Base-Backbone interact. energy: 2.645 local terms energy: -536.885703 where: bonds (distance) C4'-P energy: -115.604 bonds (distance) P-C4' energy: -114.483 flat angles C4'-P-C4' energy: -121.716 flat angles P-C4'-P energy: -76.754 tors. eta vs tors. theta energy: -108.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -1071.103286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.103286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.103286 (E_RNA) where: Base-Base interactions energy: -591.911 where: short stacking energy: -313.590 Base-Backbone interact. energy: -2.420 local terms energy: -476.771719 where: bonds (distance) C4'-P energy: -115.245 bonds (distance) P-C4' energy: -135.935 flat angles C4'-P-C4' energy: -108.200 flat angles P-C4'-P energy: -81.392 tors. eta vs tors. theta energy: -36.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -852.064937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.064937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.064937 (E_RNA) where: Base-Base interactions energy: -447.298 where: short stacking energy: -220.386 Base-Backbone interact. energy: 7.776 local terms energy: -412.543037 where: bonds (distance) C4'-P energy: -93.042 bonds (distance) P-C4' energy: -138.189 flat angles C4'-P-C4' energy: -108.609 flat angles P-C4'-P energy: -72.126 tors. eta vs tors. theta energy: -0.577 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: 1, replica: 2 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2591.438610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.438610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.438610 (E_RNA) where: Base-Base interactions energy: -1806.231 where: short stacking energy: -755.126 Base-Backbone interact. energy: 1.452 local terms energy: -786.660035 where: bonds (distance) C4'-P energy: -152.857 bonds (distance) P-C4' energy: -150.847 flat angles C4'-P-C4' energy: -162.909 flat angles P-C4'-P energy: -103.739 tors. eta vs tors. theta energy: -216.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2458.290431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.290431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.290431 (E_RNA) where: Base-Base interactions energy: -1669.718 where: short stacking energy: -699.908 Base-Backbone interact. energy: -1.134 local terms energy: -787.437987 where: bonds (distance) C4'-P energy: -146.635 bonds (distance) P-C4' energy: -153.348 flat angles C4'-P-C4' energy: -170.307 flat angles P-C4'-P energy: -116.873 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: 3, replica: 8 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2317.141820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.141820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.141820 (E_RNA) where: Base-Base interactions energy: -1593.872 where: short stacking energy: -681.152 Base-Backbone interact. energy: -1.440 local terms energy: -721.829769 where: bonds (distance) C4'-P energy: -140.588 bonds (distance) P-C4' energy: -132.452 flat angles C4'-P-C4' energy: -157.098 flat angles P-C4'-P energy: -101.132 tors. eta vs tors. theta energy: -190.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2297.685314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.685314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.685314 (E_RNA) where: Base-Base interactions energy: -1551.708 where: short stacking energy: -684.783 Base-Backbone interact. energy: -0.146 local terms energy: -745.832166 where: bonds (distance) C4'-P energy: -133.186 bonds (distance) P-C4' energy: -125.371 flat angles C4'-P-C4' energy: -166.423 flat angles P-C4'-P energy: -111.313 tors. eta vs tors. theta energy: -209.539 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: 6 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -2028.997615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.997615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.997615 (E_RNA) where: Base-Base interactions energy: -1373.480 where: short stacking energy: -563.729 Base-Backbone interact. energy: 0.542 local terms energy: -656.059921 where: bonds (distance) C4'-P energy: -123.464 bonds (distance) P-C4' energy: -141.195 flat angles C4'-P-C4' energy: -147.509 flat angles P-C4'-P energy: -87.263 tors. eta vs tors. theta energy: -156.628 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: 6, replica: 7 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1793.251559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.251559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.251559 (E_RNA) where: Base-Base interactions energy: -1210.507 where: short stacking energy: -531.077 Base-Backbone interact. energy: 0.308 local terms energy: -583.052756 where: bonds (distance) C4'-P energy: -125.889 bonds (distance) P-C4' energy: -121.928 flat angles C4'-P-C4' energy: -122.682 flat angles P-C4'-P energy: -89.177 tors. eta vs tors. theta energy: -123.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1549.749351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.749351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.749351 (E_RNA) where: Base-Base interactions energy: -983.625 where: short stacking energy: -479.210 Base-Backbone interact. energy: -0.205 local terms energy: -565.919731 where: bonds (distance) C4'-P energy: -103.489 bonds (distance) P-C4' energy: -127.955 flat angles C4'-P-C4' energy: -141.440 flat angles P-C4'-P energy: -84.330 tors. eta vs tors. theta energy: -108.706 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: 9 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1479.691747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.691747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.691747 (E_RNA) where: Base-Base interactions energy: -939.097 where: short stacking energy: -440.754 Base-Backbone interact. energy: 4.053 local terms energy: -544.647589 where: bonds (distance) C4'-P energy: -135.546 bonds (distance) P-C4' energy: -124.991 flat angles C4'-P-C4' energy: -129.847 flat angles P-C4'-P energy: -82.386 tors. eta vs tors. theta energy: -71.878 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: 9, replica: 10 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -1034.560021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.560021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.560021 (E_RNA) where: Base-Base interactions energy: -587.486 where: short stacking energy: -279.781 Base-Backbone interact. energy: -1.520 local terms energy: -445.553510 where: bonds (distance) C4'-P energy: -119.652 bonds (distance) P-C4' energy: -144.747 flat angles C4'-P-C4' energy: -126.356 flat angles P-C4'-P energy: -28.407 tors. eta vs tors. theta energy: -26.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -909.796236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.796236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.796236 (E_RNA) where: Base-Base interactions energy: -499.954 where: short stacking energy: -264.113 Base-Backbone interact. energy: 3.458 local terms energy: -413.300531 where: bonds (distance) C4'-P energy: -97.513 bonds (distance) P-C4' energy: -129.604 flat angles C4'-P-C4' energy: -98.260 flat angles P-C4'-P energy: -57.116 tors. eta vs tors. theta energy: -30.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2566.285216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.285216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.285216 (E_RNA) where: Base-Base interactions energy: -1793.755 where: short stacking energy: -745.376 Base-Backbone interact. energy: -1.171 local terms energy: -771.359126 where: bonds (distance) C4'-P energy: -139.547 bonds (distance) P-C4' energy: -139.517 flat angles C4'-P-C4' energy: -167.240 flat angles P-C4'-P energy: -115.005 tors. eta vs tors. theta energy: -210.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2391.872029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.872029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.872029 (E_RNA) where: Base-Base interactions energy: -1638.601 where: short stacking energy: -656.708 Base-Backbone interact. energy: -2.768 local terms energy: -750.503069 where: bonds (distance) C4'-P energy: -140.393 bonds (distance) P-C4' energy: -148.029 flat angles C4'-P-C4' energy: -162.535 flat angles P-C4'-P energy: -111.193 tors. eta vs tors. theta energy: -188.353 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: 8 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2327.642715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.642715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.642715 (E_RNA) where: Base-Base interactions energy: -1594.614 where: short stacking energy: -678.462 Base-Backbone interact. energy: -3.401 local terms energy: -729.626762 where: bonds (distance) C4'-P energy: -120.921 bonds (distance) P-C4' energy: -145.720 flat angles C4'-P-C4' energy: -157.879 flat angles P-C4'-P energy: -113.583 tors. eta vs tors. theta energy: -191.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2224.109697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.109697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.109697 (E_RNA) where: Base-Base interactions energy: -1479.102 where: short stacking energy: -649.023 Base-Backbone interact. energy: 0.029 local terms energy: -745.036645 where: bonds (distance) C4'-P energy: -149.828 bonds (distance) P-C4' energy: -141.691 flat angles C4'-P-C4' energy: -157.903 flat angles P-C4'-P energy: -106.052 tors. eta vs tors. theta energy: -189.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2056.211109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.211109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.211109 (E_RNA) where: Base-Base interactions energy: -1381.158 where: short stacking energy: -579.093 Base-Backbone interact. energy: -2.325 local terms energy: -672.727969 where: bonds (distance) C4'-P energy: -121.043 bonds (distance) P-C4' energy: -140.958 flat angles C4'-P-C4' energy: -162.182 flat angles P-C4'-P energy: -94.808 tors. eta vs tors. theta energy: -153.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1796.804947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.804947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.804947 (E_RNA) where: Base-Base interactions energy: -1196.559 where: short stacking energy: -503.162 Base-Backbone interact. energy: -1.050 local terms energy: -599.195482 where: bonds (distance) C4'-P energy: -113.232 bonds (distance) P-C4' energy: -129.429 flat angles C4'-P-C4' energy: -144.706 flat angles P-C4'-P energy: -79.775 tors. eta vs tors. theta energy: -132.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1612.386840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.386840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.386840 (E_RNA) where: Base-Base interactions energy: -1046.478 where: short stacking energy: -437.152 Base-Backbone interact. energy: 1.992 local terms energy: -567.900759 where: bonds (distance) C4'-P energy: -134.693 bonds (distance) P-C4' energy: -129.190 flat angles C4'-P-C4' energy: -130.493 flat angles P-C4'-P energy: -82.593 tors. eta vs tors. theta energy: -90.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1459.908613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.908613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.908613 (E_RNA) where: Base-Base interactions energy: -951.232 where: short stacking energy: -408.124 Base-Backbone interact. energy: -1.484 local terms energy: -507.192442 where: bonds (distance) C4'-P energy: -108.328 bonds (distance) P-C4' energy: -114.155 flat angles C4'-P-C4' energy: -114.662 flat angles P-C4'-P energy: -74.690 tors. eta vs tors. theta energy: -95.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -1042.064310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.064310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.064310 (E_RNA) where: Base-Base interactions energy: -585.231 where: short stacking energy: -285.887 Base-Backbone interact. energy: -1.471 local terms energy: -455.363054 where: bonds (distance) C4'-P energy: -102.885 bonds (distance) P-C4' energy: -126.124 flat angles C4'-P-C4' energy: -114.131 flat angles P-C4'-P energy: -76.926 tors. eta vs tors. theta energy: -35.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -963.054887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.054887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.054887 (E_RNA) where: Base-Base interactions energy: -526.329 where: short stacking energy: -260.138 Base-Backbone interact. energy: 3.116 local terms energy: -439.842188 where: bonds (distance) C4'-P energy: -126.545 bonds (distance) P-C4' energy: -129.451 flat angles C4'-P-C4' energy: -107.265 flat angles P-C4'-P energy: -68.148 tors. eta vs tors. theta energy: -8.433 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: 1, replica: 2 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2559.109762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.109762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.109762 (E_RNA) where: Base-Base interactions energy: -1781.113 where: short stacking energy: -723.731 Base-Backbone interact. energy: -2.562 local terms energy: -775.435471 where: bonds (distance) C4'-P energy: -147.728 bonds (distance) P-C4' energy: -143.274 flat angles C4'-P-C4' energy: -163.641 flat angles P-C4'-P energy: -113.730 tors. eta vs tors. theta energy: -207.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2387.614447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.614447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.614447 (E_RNA) where: Base-Base interactions energy: -1659.495 where: short stacking energy: -701.433 Base-Backbone interact. energy: -1.710 local terms energy: -726.409721 where: bonds (distance) C4'-P energy: -143.157 bonds (distance) P-C4' energy: -161.551 flat angles C4'-P-C4' energy: -153.388 flat angles P-C4'-P energy: -87.683 tors. eta vs tors. theta energy: -180.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2287.026737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.026737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.026737 (E_RNA) where: Base-Base interactions energy: -1567.736 where: short stacking energy: -662.641 Base-Backbone interact. energy: 0.981 local terms energy: -720.271772 where: bonds (distance) C4'-P energy: -132.139 bonds (distance) P-C4' energy: -138.185 flat angles C4'-P-C4' energy: -165.150 flat angles P-C4'-P energy: -106.363 tors. eta vs tors. theta energy: -178.434 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: 3 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2251.205312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.205312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.205312 (E_RNA) where: Base-Base interactions energy: -1513.527 where: short stacking energy: -675.401 Base-Backbone interact. energy: 4.451 local terms energy: -742.129439 where: bonds (distance) C4'-P energy: -138.359 bonds (distance) P-C4' energy: -134.448 flat angles C4'-P-C4' energy: -162.242 flat angles P-C4'-P energy: -108.335 tors. eta vs tors. theta energy: -198.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2051.620041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.620041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.620041 (E_RNA) where: Base-Base interactions energy: -1375.041 where: short stacking energy: -590.049 Base-Backbone interact. energy: -1.889 local terms energy: -674.689801 where: bonds (distance) C4'-P energy: -129.037 bonds (distance) P-C4' energy: -142.331 flat angles C4'-P-C4' energy: -144.537 flat angles P-C4'-P energy: -99.255 tors. eta vs tors. theta energy: -159.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1846.576665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.576665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.576665 (E_RNA) where: Base-Base interactions energy: -1253.111 where: short stacking energy: -528.882 Base-Backbone interact. energy: 1.805 local terms energy: -595.270704 where: bonds (distance) C4'-P energy: -125.270 bonds (distance) P-C4' energy: -126.112 flat angles C4'-P-C4' energy: -140.917 flat angles P-C4'-P energy: -71.069 tors. eta vs tors. theta energy: -131.902 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: 7, replica: 5 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1618.363390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.363390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.363390 (E_RNA) where: Base-Base interactions energy: -1077.563 where: short stacking energy: -459.492 Base-Backbone interact. energy: 4.352 local terms energy: -545.152562 where: bonds (distance) C4'-P energy: -127.655 bonds (distance) P-C4' energy: -135.284 flat angles C4'-P-C4' energy: -93.264 flat angles P-C4'-P energy: -83.044 tors. eta vs tors. theta energy: -105.906 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: 9 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1348.304315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.304315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.304315 (E_RNA) where: Base-Base interactions energy: -809.809 where: short stacking energy: -399.964 Base-Backbone interact. energy: 0.578 local terms energy: -539.073189 where: bonds (distance) C4'-P energy: -125.028 bonds (distance) P-C4' energy: -133.527 flat angles C4'-P-C4' energy: -127.610 flat angles P-C4'-P energy: -79.426 tors. eta vs tors. theta energy: -73.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -1020.443025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.443025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.443025 (E_RNA) where: Base-Base interactions energy: -536.998 where: short stacking energy: -282.899 Base-Backbone interact. energy: 0.983 local terms energy: -484.427728 where: bonds (distance) C4'-P energy: -126.915 bonds (distance) P-C4' energy: -121.440 flat angles C4'-P-C4' energy: -120.598 flat angles P-C4'-P energy: -86.328 tors. eta vs tors. theta energy: -29.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -989.792725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.792725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.792725 (E_RNA) where: Base-Base interactions energy: -568.561 where: short stacking energy: -291.178 Base-Backbone interact. energy: 0.090 local terms energy: -422.381656 where: bonds (distance) C4'-P energy: -106.422 bonds (distance) P-C4' energy: -133.035 flat angles C4'-P-C4' energy: -92.598 flat angles P-C4'-P energy: -58.420 tors. eta vs tors. theta energy: -31.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.060 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2572.408404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.408404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.408404 (E_RNA) where: Base-Base interactions energy: -1761.448 where: short stacking energy: -734.640 Base-Backbone interact. energy: -2.398 local terms energy: -808.562374 where: bonds (distance) C4'-P energy: -143.532 bonds (distance) P-C4' energy: -156.586 flat angles C4'-P-C4' energy: -171.392 flat angles P-C4'-P energy: -119.633 tors. eta vs tors. theta energy: -217.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2417.358179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.358179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.358179 (E_RNA) where: Base-Base interactions energy: -1670.538 where: short stacking energy: -675.890 Base-Backbone interact. energy: -1.205 local terms energy: -745.614631 where: bonds (distance) C4'-P energy: -139.947 bonds (distance) P-C4' energy: -157.725 flat angles C4'-P-C4' energy: -156.279 flat angles P-C4'-P energy: -100.785 tors. eta vs tors. theta energy: -190.879 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: 8 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2275.585752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.585752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.585752 (E_RNA) where: Base-Base interactions energy: -1601.843 where: short stacking energy: -660.248 Base-Backbone interact. energy: -2.232 local terms energy: -671.510329 where: bonds (distance) C4'-P energy: -117.049 bonds (distance) P-C4' energy: -139.194 flat angles C4'-P-C4' energy: -146.863 flat angles P-C4'-P energy: -89.494 tors. eta vs tors. theta energy: -178.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2251.086268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.086268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.086268 (E_RNA) where: Base-Base interactions energy: -1507.439 where: short stacking energy: -654.419 Base-Backbone interact. energy: -1.101 local terms energy: -742.546334 where: bonds (distance) C4'-P energy: -144.422 bonds (distance) P-C4' energy: -148.797 flat angles C4'-P-C4' energy: -154.224 flat angles P-C4'-P energy: -91.124 tors. eta vs tors. theta energy: -203.980 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: 5, replica: 6 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2040.348400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.348400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.348400 (E_RNA) where: Base-Base interactions energy: -1368.393 where: short stacking energy: -602.567 Base-Backbone interact. energy: 3.275 local terms energy: -675.230414 where: bonds (distance) C4'-P energy: -109.651 bonds (distance) P-C4' energy: -147.038 flat angles C4'-P-C4' energy: -162.517 flat angles P-C4'-P energy: -88.053 tors. eta vs tors. theta energy: -167.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1797.202499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.202499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.202499 (E_RNA) where: Base-Base interactions energy: -1184.532 where: short stacking energy: -522.873 Base-Backbone interact. energy: 3.474 local terms energy: -616.145316 where: bonds (distance) C4'-P energy: -129.709 bonds (distance) P-C4' energy: -130.773 flat angles C4'-P-C4' energy: -133.174 flat angles P-C4'-P energy: -99.511 tors. eta vs tors. theta energy: -122.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1538.972219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.972219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.972219 (E_RNA) where: Base-Base interactions energy: -963.779 where: short stacking energy: -462.029 Base-Backbone interact. energy: -0.224 local terms energy: -574.969913 where: bonds (distance) C4'-P energy: -121.509 bonds (distance) P-C4' energy: -133.066 flat angles C4'-P-C4' energy: -137.071 flat angles P-C4'-P energy: -86.646 tors. eta vs tors. theta energy: -96.677 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: 9 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1308.100196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.100196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.100196 (E_RNA) where: Base-Base interactions energy: -825.433 where: short stacking energy: -371.701 Base-Backbone interact. energy: 1.325 local terms energy: -483.991342 where: bonds (distance) C4'-P energy: -122.750 bonds (distance) P-C4' energy: -131.814 flat angles C4'-P-C4' energy: -114.185 flat angles P-C4'-P energy: -64.661 tors. eta vs tors. theta energy: -50.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -1004.108324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.108324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.108324 (E_RNA) where: Base-Base interactions energy: -552.173 where: short stacking energy: -275.946 Base-Backbone interact. energy: 4.862 local terms energy: -456.796931 where: bonds (distance) C4'-P energy: -112.590 bonds (distance) P-C4' energy: -136.445 flat angles C4'-P-C4' energy: -108.076 flat angles P-C4'-P energy: -70.281 tors. eta vs tors. theta energy: -29.406 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: 1 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -893.004336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.004336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.004336 (E_RNA) where: Base-Base interactions energy: -475.489 where: short stacking energy: -259.089 Base-Backbone interact. energy: -1.947 local terms energy: -415.568591 where: bonds (distance) C4'-P energy: -115.890 bonds (distance) P-C4' energy: -116.336 flat angles C4'-P-C4' energy: -107.310 flat angles P-C4'-P energy: -57.717 tors. eta vs tors. theta energy: -18.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2566.951043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.951043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.951043 (E_RNA) where: Base-Base interactions energy: -1789.514 where: short stacking energy: -720.092 Base-Backbone interact. energy: -1.432 local terms energy: -776.005220 where: bonds (distance) C4'-P energy: -149.635 bonds (distance) P-C4' energy: -140.248 flat angles C4'-P-C4' energy: -174.010 flat angles P-C4'-P energy: -106.028 tors. eta vs tors. theta energy: -206.084 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: 4 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2432.119812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.119812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.119812 (E_RNA) where: Base-Base interactions energy: -1659.706 where: short stacking energy: -701.713 Base-Backbone interact. energy: -2.503 local terms energy: -769.911417 where: bonds (distance) C4'-P energy: -145.194 bonds (distance) P-C4' energy: -162.956 flat angles C4'-P-C4' energy: -166.920 flat angles P-C4'-P energy: -101.492 tors. eta vs tors. theta energy: -193.350 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: 3, replica: 8 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2358.244224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.244224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.244224 (E_RNA) where: Base-Base interactions energy: -1617.240 where: short stacking energy: -710.174 Base-Backbone interact. energy: -3.696 local terms energy: -737.308420 where: bonds (distance) C4'-P energy: -125.962 bonds (distance) P-C4' energy: -152.064 flat angles C4'-P-C4' energy: -170.744 flat angles P-C4'-P energy: -96.834 tors. eta vs tors. theta energy: -191.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2295.602180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.602180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.602180 (E_RNA) where: Base-Base interactions energy: -1525.163 where: short stacking energy: -681.278 Base-Backbone interact. energy: 0.029 local terms energy: -770.467784 where: bonds (distance) C4'-P energy: -151.981 bonds (distance) P-C4' energy: -145.128 flat angles C4'-P-C4' energy: -156.792 flat angles P-C4'-P energy: -109.420 tors. eta vs tors. theta energy: -207.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2018.794592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.794592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.794592 (E_RNA) where: Base-Base interactions energy: -1368.739 where: short stacking energy: -560.747 Base-Backbone interact. energy: -2.729 local terms energy: -647.326749 where: bonds (distance) C4'-P energy: -131.492 bonds (distance) P-C4' energy: -137.101 flat angles C4'-P-C4' energy: -141.197 flat angles P-C4'-P energy: -87.150 tors. eta vs tors. theta energy: -150.387 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: 7 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1745.241365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.241365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.241365 (E_RNA) where: Base-Base interactions energy: -1139.371 where: short stacking energy: -500.272 Base-Backbone interact. energy: -0.047 local terms energy: -605.823161 where: bonds (distance) C4'-P energy: -129.314 bonds (distance) P-C4' energy: -134.479 flat angles C4'-P-C4' energy: -148.265 flat angles P-C4'-P energy: -68.953 tors. eta vs tors. theta energy: -124.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1542.755188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.755188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.755188 (E_RNA) where: Base-Base interactions energy: -944.775 where: short stacking energy: -463.945 Base-Backbone interact. energy: -1.502 local terms energy: -596.477817 where: bonds (distance) C4'-P energy: -119.764 bonds (distance) P-C4' energy: -146.283 flat angles C4'-P-C4' energy: -123.205 flat angles P-C4'-P energy: -84.413 tors. eta vs tors. theta energy: -122.813 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: 9 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1381.670684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.670684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.670684 (E_RNA) where: Base-Base interactions energy: -869.831 where: short stacking energy: -381.948 Base-Backbone interact. energy: -1.625 local terms energy: -510.213895 where: bonds (distance) C4'-P energy: -113.313 bonds (distance) P-C4' energy: -142.424 flat angles C4'-P-C4' energy: -121.165 flat angles P-C4'-P energy: -56.008 tors. eta vs tors. theta energy: -77.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -1042.364178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.364178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.364178 (E_RNA) where: Base-Base interactions energy: -606.223 where: short stacking energy: -312.787 Base-Backbone interact. energy: 0.987 local terms energy: -437.127476 where: bonds (distance) C4'-P energy: -122.962 bonds (distance) P-C4' energy: -124.333 flat angles C4'-P-C4' energy: -109.436 flat angles P-C4'-P energy: -53.492 tors. eta vs tors. theta energy: -26.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -900.313519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.313519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.313519 (E_RNA) where: Base-Base interactions energy: -507.490 where: short stacking energy: -258.859 Base-Backbone interact. energy: 3.388 local terms energy: -396.211274 where: bonds (distance) C4'-P energy: -125.940 bonds (distance) P-C4' energy: -126.284 flat angles C4'-P-C4' energy: -100.487 flat angles P-C4'-P energy: -52.201 tors. eta vs tors. theta energy: 8.700 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: 1, replica: 2 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2621.086789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.086789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.086789 (E_RNA) where: Base-Base interactions energy: -1818.402 where: short stacking energy: -755.127 Base-Backbone interact. energy: -0.602 local terms energy: -802.082841 where: bonds (distance) C4'-P energy: -144.930 bonds (distance) P-C4' energy: -155.570 flat angles C4'-P-C4' energy: -168.580 flat angles P-C4'-P energy: -117.595 tors. eta vs tors. theta energy: -215.407 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: 4 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2448.085904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.085904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.085904 (E_RNA) where: Base-Base interactions energy: -1696.565 where: short stacking energy: -701.083 Base-Backbone interact. energy: -1.319 local terms energy: -750.201104 where: bonds (distance) C4'-P energy: -154.868 bonds (distance) P-C4' energy: -153.584 flat angles C4'-P-C4' energy: -150.100 flat angles P-C4'-P energy: -97.633 tors. eta vs tors. theta energy: -194.015 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: 8 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2375.531389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.531389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.531389 (E_RNA) where: Base-Base interactions energy: -1628.481 where: short stacking energy: -698.092 Base-Backbone interact. energy: -4.041 local terms energy: -743.009513 where: bonds (distance) C4'-P energy: -128.894 bonds (distance) P-C4' energy: -144.641 flat angles C4'-P-C4' energy: -173.543 flat angles P-C4'-P energy: -97.345 tors. eta vs tors. theta energy: -198.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2285.012874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.012874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.012874 (E_RNA) where: Base-Base interactions energy: -1554.486 where: short stacking energy: -683.186 Base-Backbone interact. energy: -4.031 local terms energy: -726.496521 where: bonds (distance) C4'-P energy: -118.564 bonds (distance) P-C4' energy: -139.173 flat angles C4'-P-C4' energy: -160.167 flat angles P-C4'-P energy: -102.994 tors. eta vs tors. theta energy: -205.598 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: 5, replica: 6 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -2027.176398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.176398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.176398 (E_RNA) where: Base-Base interactions energy: -1395.691 where: short stacking energy: -584.464 Base-Backbone interact. energy: 0.189 local terms energy: -631.675033 where: bonds (distance) C4'-P energy: -129.552 bonds (distance) P-C4' energy: -130.584 flat angles C4'-P-C4' energy: -133.117 flat angles P-C4'-P energy: -92.221 tors. eta vs tors. theta energy: -146.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1734.763134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.763134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.763134 (E_RNA) where: Base-Base interactions energy: -1139.061 where: short stacking energy: -531.632 Base-Backbone interact. energy: -3.436 local terms energy: -592.265719 where: bonds (distance) C4'-P energy: -121.438 bonds (distance) P-C4' energy: -134.824 flat angles C4'-P-C4' energy: -129.049 flat angles P-C4'-P energy: -83.808 tors. eta vs tors. theta energy: -123.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1552.707084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.707084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.707084 (E_RNA) where: Base-Base interactions energy: -947.331 where: short stacking energy: -468.990 Base-Backbone interact. energy: -0.136 local terms energy: -605.239896 where: bonds (distance) C4'-P energy: -125.878 bonds (distance) P-C4' energy: -146.538 flat angles C4'-P-C4' energy: -139.801 flat angles P-C4'-P energy: -86.707 tors. eta vs tors. theta energy: -106.316 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: 9 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1387.934410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.934410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.934410 (E_RNA) where: Base-Base interactions energy: -875.784 where: short stacking energy: -387.171 Base-Backbone interact. energy: 1.299 local terms energy: -513.448999 where: bonds (distance) C4'-P energy: -108.013 bonds (distance) P-C4' energy: -121.498 flat angles C4'-P-C4' energy: -109.541 flat angles P-C4'-P energy: -83.201 tors. eta vs tors. theta energy: -91.196 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: 195 Temperature: 1.300000 Total energy: -1073.012360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.012360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.012360 (E_RNA) where: Base-Base interactions energy: -652.098 where: short stacking energy: -314.133 Base-Backbone interact. energy: 2.530 local terms energy: -423.444921 where: bonds (distance) C4'-P energy: -107.284 bonds (distance) P-C4' energy: -126.504 flat angles C4'-P-C4' energy: -102.436 flat angles P-C4'-P energy: -67.144 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: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -902.036103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.036103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.036103 (E_RNA) where: Base-Base interactions energy: -502.553 where: short stacking energy: -244.850 Base-Backbone interact. energy: 0.963 local terms energy: -400.445326 where: bonds (distance) C4'-P energy: -109.322 bonds (distance) P-C4' energy: -137.035 flat angles C4'-P-C4' energy: -82.505 flat angles P-C4'-P energy: -72.561 tors. eta vs tors. theta energy: 0.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2607.778591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.778591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.778591 (E_RNA) where: Base-Base interactions energy: -1820.631 where: short stacking energy: -730.496 Base-Backbone interact. energy: -4.752 local terms energy: -782.396307 where: bonds (distance) C4'-P energy: -146.680 bonds (distance) P-C4' energy: -141.220 flat angles C4'-P-C4' energy: -168.138 flat angles P-C4'-P energy: -123.375 tors. eta vs tors. theta energy: -202.984 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: 196 Temperature: 0.950000 Total energy: -2454.767135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.767135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.767135 (E_RNA) where: Base-Base interactions energy: -1716.687 where: short stacking energy: -707.234 Base-Backbone interact. energy: 0.541 local terms energy: -738.621346 where: bonds (distance) C4'-P energy: -142.117 bonds (distance) P-C4' energy: -152.045 flat angles C4'-P-C4' energy: -168.262 flat angles P-C4'-P energy: -93.131 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: 3, replica: 8 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2293.240990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.240990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.240990 (E_RNA) where: Base-Base interactions energy: -1575.189 where: short stacking energy: -668.906 Base-Backbone interact. energy: -1.280 local terms energy: -716.772739 where: bonds (distance) C4'-P energy: -126.269 bonds (distance) P-C4' energy: -146.977 flat angles C4'-P-C4' energy: -155.578 flat angles P-C4'-P energy: -90.771 tors. eta vs tors. theta energy: -197.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2316.103953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.103953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.103953 (E_RNA) where: Base-Base interactions energy: -1544.441 where: short stacking energy: -664.022 Base-Backbone interact. energy: -5.019 local terms energy: -766.644838 where: bonds (distance) C4'-P energy: -142.801 bonds (distance) P-C4' energy: -151.325 flat angles C4'-P-C4' energy: -157.127 flat angles P-C4'-P energy: -115.318 tors. eta vs tors. theta energy: -200.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2010.241503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.241503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.241503 (E_RNA) where: Base-Base interactions energy: -1369.760 where: short stacking energy: -617.618 Base-Backbone interact. energy: -2.833 local terms energy: -637.648736 where: bonds (distance) C4'-P energy: -106.762 bonds (distance) P-C4' energy: -122.586 flat angles C4'-P-C4' energy: -142.539 flat angles P-C4'-P energy: -91.366 tors. eta vs tors. theta energy: -174.395 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: 7 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1746.228127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.228127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.228127 (E_RNA) where: Base-Base interactions energy: -1118.855 where: short stacking energy: -502.876 Base-Backbone interact. energy: -2.381 local terms energy: -624.991982 where: bonds (distance) C4'-P energy: -139.937 bonds (distance) P-C4' energy: -131.591 flat angles C4'-P-C4' energy: -123.666 flat angles P-C4'-P energy: -106.740 tors. eta vs tors. theta energy: -123.058 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: 7, replica: 5 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1626.239501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.239501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.239501 (E_RNA) where: Base-Base interactions energy: -1038.866 where: short stacking energy: -478.639 Base-Backbone interact. energy: 0.118 local terms energy: -587.491346 where: bonds (distance) C4'-P energy: -118.976 bonds (distance) P-C4' energy: -131.753 flat angles C4'-P-C4' energy: -145.913 flat angles P-C4'-P energy: -77.025 tors. eta vs tors. theta energy: -113.824 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: 9 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1323.745579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.745579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.745579 (E_RNA) where: Base-Base interactions energy: -807.017 where: short stacking energy: -361.297 Base-Backbone interact. energy: -1.274 local terms energy: -515.454644 where: bonds (distance) C4'-P energy: -107.028 bonds (distance) P-C4' energy: -140.322 flat angles C4'-P-C4' energy: -120.575 flat angles P-C4'-P energy: -81.676 tors. eta vs tors. theta energy: -65.853 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: 9, replica: 10 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -1026.578496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.578496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.578496 (E_RNA) where: Base-Base interactions energy: -575.996 where: short stacking energy: -290.019 Base-Backbone interact. energy: 3.248 local terms energy: -453.830519 where: bonds (distance) C4'-P energy: -107.803 bonds (distance) P-C4' energy: -131.898 flat angles C4'-P-C4' energy: -116.060 flat angles P-C4'-P energy: -72.673 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: 1 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -938.828916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.828916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.828916 (E_RNA) where: Base-Base interactions energy: -539.785 where: short stacking energy: -274.715 Base-Backbone interact. energy: -0.837 local terms energy: -398.206478 where: bonds (distance) C4'-P energy: -111.243 bonds (distance) P-C4' energy: -104.147 flat angles C4'-P-C4' energy: -121.618 flat angles P-C4'-P energy: -52.852 tors. eta vs tors. theta energy: -8.345 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: 2 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2582.873660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.873660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.873660 (E_RNA) where: Base-Base interactions energy: -1805.109 where: short stacking energy: -728.053 Base-Backbone interact. energy: -3.720 local terms energy: -774.044426 where: bonds (distance) C4'-P energy: -140.498 bonds (distance) P-C4' energy: -141.219 flat angles C4'-P-C4' energy: -172.370 flat angles P-C4'-P energy: -112.405 tors. eta vs tors. theta energy: -207.553 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: 4 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2457.278625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.278625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.278625 (E_RNA) where: Base-Base interactions energy: -1707.325 where: short stacking energy: -692.965 Base-Backbone interact. energy: 0.800 local terms energy: -750.754222 where: bonds (distance) C4'-P energy: -148.890 bonds (distance) P-C4' energy: -137.856 flat angles C4'-P-C4' energy: -169.901 flat angles P-C4'-P energy: -93.892 tors. eta vs tors. theta energy: -200.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2336.535033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.535033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.535033 (E_RNA) where: Base-Base interactions energy: -1577.018 where: short stacking energy: -664.704 Base-Backbone interact. energy: -2.702 local terms energy: -756.814866 where: bonds (distance) C4'-P energy: -146.641 bonds (distance) P-C4' energy: -145.016 flat angles C4'-P-C4' energy: -162.830 flat angles P-C4'-P energy: -119.277 tors. eta vs tors. theta energy: -183.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2307.827894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.827894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.827894 (E_RNA) where: Base-Base interactions energy: -1582.535 where: short stacking energy: -695.661 Base-Backbone interact. energy: 0.219 local terms energy: -725.512358 where: bonds (distance) C4'-P energy: -125.998 bonds (distance) P-C4' energy: -134.642 flat angles C4'-P-C4' energy: -158.014 flat angles P-C4'-P energy: -105.025 tors. eta vs tors. theta energy: -201.833 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: 6 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2033.332613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.332613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.332613 (E_RNA) where: Base-Base interactions energy: -1352.640 where: short stacking energy: -586.929 Base-Backbone interact. energy: -3.281 local terms energy: -677.411732 where: bonds (distance) C4'-P energy: -135.110 bonds (distance) P-C4' energy: -120.384 flat angles C4'-P-C4' energy: -155.425 flat angles P-C4'-P energy: -108.630 tors. eta vs tors. theta energy: -157.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1804.850678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.850678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.850678 (E_RNA) where: Base-Base interactions energy: -1187.397 where: short stacking energy: -548.327 Base-Backbone interact. energy: 1.818 local terms energy: -619.271756 where: bonds (distance) C4'-P energy: -109.277 bonds (distance) P-C4' energy: -141.418 flat angles C4'-P-C4' energy: -136.294 flat angles P-C4'-P energy: -93.820 tors. eta vs tors. theta energy: -138.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1633.292781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.292781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.292781 (E_RNA) where: Base-Base interactions energy: -1085.470 where: short stacking energy: -474.834 Base-Backbone interact. energy: 0.348 local terms energy: -548.170999 where: bonds (distance) C4'-P energy: -115.013 bonds (distance) P-C4' energy: -100.897 flat angles C4'-P-C4' energy: -136.927 flat angles P-C4'-P energy: -96.511 tors. eta vs tors. theta energy: -98.823 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: 9 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1397.414292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.414292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.414292 (E_RNA) where: Base-Base interactions energy: -844.549 where: short stacking energy: -395.024 Base-Backbone interact. energy: -2.640 local terms energy: -550.225258 where: bonds (distance) C4'-P energy: -122.791 bonds (distance) P-C4' energy: -138.887 flat angles C4'-P-C4' energy: -129.271 flat angles P-C4'-P energy: -87.032 tors. eta vs tors. theta energy: -72.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -1133.780285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.780285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.780285 (E_RNA) where: Base-Base interactions energy: -685.826 where: short stacking energy: -320.151 Base-Backbone interact. energy: 4.037 local terms energy: -451.991259 where: bonds (distance) C4'-P energy: -115.597 bonds (distance) P-C4' energy: -117.822 flat angles C4'-P-C4' energy: -116.730 flat angles P-C4'-P energy: -79.857 tors. eta vs tors. theta energy: -21.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -1035.681560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.681560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.681560 (E_RNA) where: Base-Base interactions energy: -565.165 where: short stacking energy: -304.340 Base-Backbone interact. energy: 0.511 local terms energy: -471.027059 where: bonds (distance) C4'-P energy: -119.116 bonds (distance) P-C4' energy: -114.486 flat angles C4'-P-C4' energy: -130.435 flat angles P-C4'-P energy: -50.081 tors. eta vs tors. theta energy: -56.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2608.729559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.729559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.729559 (E_RNA) where: Base-Base interactions energy: -1807.497 where: short stacking energy: -757.947 Base-Backbone interact. energy: -4.797 local terms energy: -796.435335 where: bonds (distance) C4'-P energy: -140.771 bonds (distance) P-C4' energy: -156.658 flat angles C4'-P-C4' energy: -167.377 flat angles P-C4'-P energy: -108.184 tors. eta vs tors. theta energy: -223.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2467.152305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.152305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.152305 (E_RNA) where: Base-Base interactions energy: -1702.310 where: short stacking energy: -694.179 Base-Backbone interact. energy: -2.877 local terms energy: -761.964698 where: bonds (distance) C4'-P energy: -142.996 bonds (distance) P-C4' energy: -154.982 flat angles C4'-P-C4' energy: -183.331 flat angles P-C4'-P energy: -99.822 tors. eta vs tors. theta energy: -180.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2350.235139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.235139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.235139 (E_RNA) where: Base-Base interactions energy: -1617.848 where: short stacking energy: -701.672 Base-Backbone interact. energy: -2.370 local terms energy: -730.018067 where: bonds (distance) C4'-P energy: -125.459 bonds (distance) P-C4' energy: -140.911 flat angles C4'-P-C4' energy: -161.413 flat angles P-C4'-P energy: -103.131 tors. eta vs tors. theta energy: -199.104 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: 8 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2230.301242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.301242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.301242 (E_RNA) where: Base-Base interactions energy: -1533.772 where: short stacking energy: -657.009 Base-Backbone interact. energy: -2.310 local terms energy: -694.218989 where: bonds (distance) C4'-P energy: -119.700 bonds (distance) P-C4' energy: -132.278 flat angles C4'-P-C4' energy: -150.092 flat angles P-C4'-P energy: -106.628 tors. eta vs tors. theta energy: -185.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1994.180098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.180098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.180098 (E_RNA) where: Base-Base interactions energy: -1323.398 where: short stacking energy: -558.281 Base-Backbone interact. energy: -1.465 local terms energy: -669.317179 where: bonds (distance) C4'-P energy: -141.878 bonds (distance) P-C4' energy: -145.894 flat angles C4'-P-C4' energy: -155.476 flat angles P-C4'-P energy: -78.957 tors. eta vs tors. theta energy: -147.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1730.444513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.444513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.444513 (E_RNA) where: Base-Base interactions energy: -1128.374 where: short stacking energy: -488.656 Base-Backbone interact. energy: 1.141 local terms energy: -603.211827 where: bonds (distance) C4'-P energy: -122.073 bonds (distance) P-C4' energy: -118.965 flat angles C4'-P-C4' energy: -140.607 flat angles P-C4'-P energy: -92.503 tors. eta vs tors. theta energy: -129.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1595.520409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.520409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.520409 (E_RNA) where: Base-Base interactions energy: -1014.967 where: short stacking energy: -445.743 Base-Backbone interact. energy: -1.263 local terms energy: -579.290472 where: bonds (distance) C4'-P energy: -124.501 bonds (distance) P-C4' energy: -129.202 flat angles C4'-P-C4' energy: -146.637 flat angles P-C4'-P energy: -76.493 tors. eta vs tors. theta energy: -102.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1328.395845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.395845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.395845 (E_RNA) where: Base-Base interactions energy: -839.655 where: short stacking energy: -424.848 Base-Backbone interact. energy: 1.675 local terms energy: -490.415242 where: bonds (distance) C4'-P energy: -82.452 bonds (distance) P-C4' energy: -131.461 flat angles C4'-P-C4' energy: -124.604 flat angles P-C4'-P energy: -63.610 tors. eta vs tors. theta energy: -88.286 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: 9, replica: 10 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -1124.949907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.949907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.949907 (E_RNA) where: Base-Base interactions energy: -644.749 where: short stacking energy: -342.691 Base-Backbone interact. energy: -1.206 local terms energy: -478.994970 where: bonds (distance) C4'-P energy: -124.912 bonds (distance) P-C4' energy: -115.965 flat angles C4'-P-C4' energy: -116.523 flat angles P-C4'-P energy: -65.074 tors. eta vs tors. theta energy: -56.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -953.362066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.362066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.362066 (E_RNA) where: Base-Base interactions energy: -517.084 where: short stacking energy: -268.621 Base-Backbone interact. energy: -0.784 local terms energy: -435.494708 where: bonds (distance) C4'-P energy: -125.006 bonds (distance) P-C4' energy: -145.268 flat angles C4'-P-C4' energy: -113.332 flat angles P-C4'-P energy: -59.750 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: 2 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2600.769439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.769439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.769439 (E_RNA) where: Base-Base interactions energy: -1785.349 where: short stacking energy: -762.527 Base-Backbone interact. energy: -4.021 local terms energy: -811.399336 where: bonds (distance) C4'-P energy: -145.564 bonds (distance) P-C4' energy: -149.509 flat angles C4'-P-C4' energy: -178.599 flat angles P-C4'-P energy: -115.011 tors. eta vs tors. theta energy: -222.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2428.585070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.585070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.585070 (E_RNA) where: Base-Base interactions energy: -1715.443 where: short stacking energy: -681.315 Base-Backbone interact. energy: -1.798 local terms energy: -711.344699 where: bonds (distance) C4'-P energy: -117.194 bonds (distance) P-C4' energy: -162.468 flat angles C4'-P-C4' energy: -157.978 flat angles P-C4'-P energy: -92.274 tors. eta vs tors. theta energy: -181.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2382.836310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.836310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.836310 (E_RNA) where: Base-Base interactions energy: -1609.163 where: short stacking energy: -683.844 Base-Backbone interact. energy: -2.978 local terms energy: -770.695638 where: bonds (distance) C4'-P energy: -142.907 bonds (distance) P-C4' energy: -160.947 flat angles C4'-P-C4' energy: -158.696 flat angles P-C4'-P energy: -97.416 tors. eta vs tors. theta energy: -210.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2239.954622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.954622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.954622 (E_RNA) where: Base-Base interactions energy: -1542.690 where: short stacking energy: -653.842 Base-Backbone interact. energy: -3.843 local terms energy: -693.422101 where: bonds (distance) C4'-P energy: -126.786 bonds (distance) P-C4' energy: -125.795 flat angles C4'-P-C4' energy: -157.944 flat angles P-C4'-P energy: -112.335 tors. eta vs tors. theta energy: -170.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2017.840278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.840278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.840278 (E_RNA) where: Base-Base interactions energy: -1336.970 where: short stacking energy: -573.892 Base-Backbone interact. energy: 1.068 local terms energy: -681.938468 where: bonds (distance) C4'-P energy: -126.588 bonds (distance) P-C4' energy: -150.047 flat angles C4'-P-C4' energy: -156.276 flat angles P-C4'-P energy: -97.960 tors. eta vs tors. theta energy: -151.068 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: 7 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1761.607323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.607323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.607323 (E_RNA) where: Base-Base interactions energy: -1146.400 where: short stacking energy: -489.317 Base-Backbone interact. energy: -2.157 local terms energy: -613.050031 where: bonds (distance) C4'-P energy: -111.713 bonds (distance) P-C4' energy: -142.703 flat angles C4'-P-C4' energy: -153.010 flat angles P-C4'-P energy: -78.941 tors. eta vs tors. theta energy: -126.682 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: 5 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1605.449651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.449651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.449651 (E_RNA) where: Base-Base interactions energy: -1024.499 where: short stacking energy: -472.171 Base-Backbone interact. energy: -1.098 local terms energy: -579.852970 where: bonds (distance) C4'-P energy: -123.828 bonds (distance) P-C4' energy: -135.654 flat angles C4'-P-C4' energy: -120.694 flat angles P-C4'-P energy: -73.327 tors. eta vs tors. theta energy: -126.349 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: 9 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1293.539691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.539691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.539691 (E_RNA) where: Base-Base interactions energy: -790.258 where: short stacking energy: -366.660 Base-Backbone interact. energy: 1.823 local terms energy: -505.104873 where: bonds (distance) C4'-P energy: -120.340 bonds (distance) P-C4' energy: -128.148 flat angles C4'-P-C4' energy: -111.890 flat angles P-C4'-P energy: -89.230 tors. eta vs tors. theta energy: -55.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -1076.785789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.785789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.785789 (E_RNA) where: Base-Base interactions energy: -605.056 where: short stacking energy: -305.685 Base-Backbone interact. energy: 4.442 local terms energy: -476.171784 where: bonds (distance) C4'-P energy: -117.996 bonds (distance) P-C4' energy: -130.409 flat angles C4'-P-C4' energy: -118.983 flat angles P-C4'-P energy: -73.025 tors. eta vs tors. theta energy: -35.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -884.996612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.996612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.996612 (E_RNA) where: Base-Base interactions energy: -459.270 where: short stacking energy: -243.686 Base-Backbone interact. energy: -2.465 local terms energy: -423.261068 where: bonds (distance) C4'-P energy: -112.057 bonds (distance) P-C4' energy: -112.618 flat angles C4'-P-C4' energy: -114.418 flat angles P-C4'-P energy: -70.273 tors. eta vs tors. theta energy: -13.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2598.256810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.256810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.256810 (E_RNA) where: Base-Base interactions energy: -1791.661 where: short stacking energy: -761.784 Base-Backbone interact. energy: -6.691 local terms energy: -799.905094 where: bonds (distance) C4'-P energy: -132.299 bonds (distance) P-C4' energy: -138.460 flat angles C4'-P-C4' energy: -172.100 flat angles P-C4'-P energy: -128.240 tors. eta vs tors. theta energy: -228.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2428.862404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.862404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.862404 (E_RNA) where: Base-Base interactions energy: -1695.801 where: short stacking energy: -683.716 Base-Backbone interact. energy: -4.447 local terms energy: -728.614085 where: bonds (distance) C4'-P energy: -135.304 bonds (distance) P-C4' energy: -138.683 flat angles C4'-P-C4' energy: -163.548 flat angles P-C4'-P energy: -108.632 tors. eta vs tors. theta energy: -182.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2383.923418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.923418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.923418 (E_RNA) where: Base-Base interactions energy: -1648.291 where: short stacking energy: -720.059 Base-Backbone interact. energy: 0.195 local terms energy: -735.827883 where: bonds (distance) C4'-P energy: -124.397 bonds (distance) P-C4' energy: -126.341 flat angles C4'-P-C4' energy: -160.564 flat angles P-C4'-P energy: -100.371 tors. eta vs tors. theta energy: -224.155 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: 8 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2260.347131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.347131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.347131 (E_RNA) where: Base-Base interactions energy: -1534.619 where: short stacking energy: -664.484 Base-Backbone interact. energy: -1.271 local terms energy: -724.457158 where: bonds (distance) C4'-P energy: -109.100 bonds (distance) P-C4' energy: -151.130 flat angles C4'-P-C4' energy: -160.760 flat angles P-C4'-P energy: -112.168 tors. eta vs tors. theta energy: -191.299 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: 5, replica: 6 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -2014.486491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.486491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.486491 (E_RNA) where: Base-Base interactions energy: -1344.871 where: short stacking energy: -563.878 Base-Backbone interact. energy: -0.778 local terms energy: -668.837543 where: bonds (distance) C4'-P energy: -145.816 bonds (distance) P-C4' energy: -144.510 flat angles C4'-P-C4' energy: -144.320 flat angles P-C4'-P energy: -90.539 tors. eta vs tors. theta energy: -143.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1715.229129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.229129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.229129 (E_RNA) where: Base-Base interactions energy: -1100.466 where: short stacking energy: -516.227 Base-Backbone interact. energy: -3.437 local terms energy: -611.326091 where: bonds (distance) C4'-P energy: -140.439 bonds (distance) P-C4' energy: -129.521 flat angles C4'-P-C4' energy: -130.834 flat angles P-C4'-P energy: -85.183 tors. eta vs tors. theta energy: -125.349 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: 7, replica: 5 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1639.496299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.496299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.496299 (E_RNA) where: Base-Base interactions energy: -1063.628 where: short stacking energy: -505.598 Base-Backbone interact. energy: -1.800 local terms energy: -574.068291 where: bonds (distance) C4'-P energy: -111.935 bonds (distance) P-C4' energy: -110.051 flat angles C4'-P-C4' energy: -156.089 flat angles P-C4'-P energy: -76.054 tors. eta vs tors. theta energy: -119.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1333.969236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.969236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.969236 (E_RNA) where: Base-Base interactions energy: -818.769 where: short stacking energy: -367.005 Base-Backbone interact. energy: 1.824 local terms energy: -517.023969 where: bonds (distance) C4'-P energy: -130.440 bonds (distance) P-C4' energy: -133.062 flat angles C4'-P-C4' energy: -107.619 flat angles P-C4'-P energy: -75.836 tors. eta vs tors. theta energy: -70.067 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: 9, replica: 10 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -1077.543839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.543839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.543839 (E_RNA) where: Base-Base interactions energy: -607.245 where: short stacking energy: -295.590 Base-Backbone interact. energy: -0.322 local terms energy: -469.976483 where: bonds (distance) C4'-P energy: -123.482 bonds (distance) P-C4' energy: -139.813 flat angles C4'-P-C4' energy: -101.099 flat angles P-C4'-P energy: -72.784 tors. eta vs tors. theta energy: -32.799 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: 10, replica: 1 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -948.917314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.917314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.917314 (E_RNA) where: Base-Base interactions energy: -537.340 where: short stacking energy: -251.789 Base-Backbone interact. energy: 0.088 local terms energy: -411.665486 where: bonds (distance) C4'-P energy: -124.935 bonds (distance) P-C4' energy: -122.592 flat angles C4'-P-C4' energy: -113.799 flat angles P-C4'-P energy: -39.707 tors. eta vs tors. theta energy: -10.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2599.232943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.232943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.232943 (E_RNA) where: Base-Base interactions energy: -1774.144 where: short stacking energy: -766.343 Base-Backbone interact. energy: -5.597 local terms energy: -819.491648 where: bonds (distance) C4'-P energy: -159.853 bonds (distance) P-C4' energy: -147.751 flat angles C4'-P-C4' energy: -166.990 flat angles P-C4'-P energy: -107.971 tors. eta vs tors. theta energy: -236.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2392.098231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.098231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.098231 (E_RNA) where: Base-Base interactions energy: -1640.890 where: short stacking energy: -669.301 Base-Backbone interact. energy: -3.405 local terms energy: -747.803369 where: bonds (distance) C4'-P energy: -157.821 bonds (distance) P-C4' energy: -150.471 flat angles C4'-P-C4' energy: -163.967 flat angles P-C4'-P energy: -96.685 tors. eta vs tors. theta energy: -178.859 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: 3 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2401.245343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.245343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.245343 (E_RNA) where: Base-Base interactions energy: -1661.086 where: short stacking energy: -732.196 Base-Backbone interact. energy: -2.498 local terms energy: -737.661863 where: bonds (distance) C4'-P energy: -132.879 bonds (distance) P-C4' energy: -126.117 flat angles C4'-P-C4' energy: -160.607 flat angles P-C4'-P energy: -101.500 tors. eta vs tors. theta energy: -216.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2227.158072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.158072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.158072 (E_RNA) where: Base-Base interactions energy: -1549.158 where: short stacking energy: -653.871 Base-Backbone interact. energy: -1.009 local terms energy: -676.991715 where: bonds (distance) C4'-P energy: -135.818 bonds (distance) P-C4' energy: -136.190 flat angles C4'-P-C4' energy: -157.955 flat angles P-C4'-P energy: -82.716 tors. eta vs tors. theta energy: -164.312 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: 5, replica: 6 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -2020.713441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.713441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.713441 (E_RNA) where: Base-Base interactions energy: -1343.708 where: short stacking energy: -570.833 Base-Backbone interact. energy: -3.573 local terms energy: -673.432776 where: bonds (distance) C4'-P energy: -127.928 bonds (distance) P-C4' energy: -136.983 flat angles C4'-P-C4' energy: -149.978 flat angles P-C4'-P energy: -91.452 tors. eta vs tors. theta energy: -167.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1749.387301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.387301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.387301 (E_RNA) where: Base-Base interactions energy: -1156.089 where: short stacking energy: -495.592 Base-Backbone interact. energy: -3.206 local terms energy: -590.252359 where: bonds (distance) C4'-P energy: -123.392 bonds (distance) P-C4' energy: -117.638 flat angles C4'-P-C4' energy: -134.645 flat angles P-C4'-P energy: -90.567 tors. eta vs tors. theta energy: -124.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.160 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1564.701692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.701692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.701692 (E_RNA) where: Base-Base interactions energy: -981.219 where: short stacking energy: -476.362 Base-Backbone interact. energy: -4.210 local terms energy: -579.273086 where: bonds (distance) C4'-P energy: -119.980 bonds (distance) P-C4' energy: -130.078 flat angles C4'-P-C4' energy: -123.793 flat angles P-C4'-P energy: -92.841 tors. eta vs tors. theta energy: -112.580 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: 9 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1389.709129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.709129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.709129 (E_RNA) where: Base-Base interactions energy: -846.557 where: short stacking energy: -390.282 Base-Backbone interact. energy: -2.427 local terms energy: -540.725501 where: bonds (distance) C4'-P energy: -138.820 bonds (distance) P-C4' energy: -131.969 flat angles C4'-P-C4' energy: -124.225 flat angles P-C4'-P energy: -70.985 tors. eta vs tors. theta energy: -74.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -1135.121926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.121926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.121926 (E_RNA) where: Base-Base interactions energy: -676.699 where: short stacking energy: -334.617 Base-Backbone interact. energy: 4.265 local terms energy: -462.687265 where: bonds (distance) C4'-P energy: -125.894 bonds (distance) P-C4' energy: -131.015 flat angles C4'-P-C4' energy: -118.773 flat angles P-C4'-P energy: -46.883 tors. eta vs tors. theta energy: -40.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -1001.362587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.362587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.362587 (E_RNA) where: Base-Base interactions energy: -598.513 where: short stacking energy: -281.404 Base-Backbone interact. energy: -0.161 local terms energy: -402.687753 where: bonds (distance) C4'-P energy: -95.532 bonds (distance) P-C4' energy: -128.420 flat angles C4'-P-C4' energy: -110.180 flat angles P-C4'-P energy: -55.785 tors. eta vs tors. theta energy: -12.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2576.408363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.408363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.408363 (E_RNA) where: Base-Base interactions energy: -1789.019 where: short stacking energy: -762.407 Base-Backbone interact. energy: 0.464 local terms energy: -787.853054 where: bonds (distance) C4'-P energy: -132.654 bonds (distance) P-C4' energy: -154.304 flat angles C4'-P-C4' energy: -155.999 flat angles P-C4'-P energy: -119.644 tors. eta vs tors. theta energy: -225.252 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: 202 Temperature: 0.950000 Total energy: -2423.316008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.316008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.316008 (E_RNA) where: Base-Base interactions energy: -1666.986 where: short stacking energy: -672.388 Base-Backbone interact. energy: -0.124 local terms energy: -756.206117 where: bonds (distance) C4'-P energy: -142.767 bonds (distance) P-C4' energy: -166.660 flat angles C4'-P-C4' energy: -166.621 flat angles P-C4'-P energy: -103.467 tors. eta vs tors. theta energy: -176.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2416.943556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.943556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.943556 (E_RNA) where: Base-Base interactions energy: -1654.230 where: short stacking energy: -715.173 Base-Backbone interact. energy: -0.586 local terms energy: -762.126976 where: bonds (distance) C4'-P energy: -136.394 bonds (distance) P-C4' energy: -147.325 flat angles C4'-P-C4' energy: -175.585 flat angles P-C4'-P energy: -95.282 tors. eta vs tors. theta energy: -207.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2223.893348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.893348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.893348 (E_RNA) where: Base-Base interactions energy: -1544.344 where: short stacking energy: -633.594 Base-Backbone interact. energy: 0.947 local terms energy: -680.495945 where: bonds (distance) C4'-P energy: -128.306 bonds (distance) P-C4' energy: -138.049 flat angles C4'-P-C4' energy: -138.976 flat angles P-C4'-P energy: -109.327 tors. eta vs tors. theta energy: -165.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2012.258919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.258919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.258919 (E_RNA) where: Base-Base interactions energy: -1355.203 where: short stacking energy: -573.910 Base-Backbone interact. energy: -3.590 local terms energy: -653.465582 where: bonds (distance) C4'-P energy: -133.391 bonds (distance) P-C4' energy: -133.330 flat angles C4'-P-C4' energy: -145.161 flat angles P-C4'-P energy: -99.558 tors. eta vs tors. theta energy: -142.025 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: 7 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1773.879655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.879655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.879655 (E_RNA) where: Base-Base interactions energy: -1178.178 where: short stacking energy: -521.892 Base-Backbone interact. energy: 0.068 local terms energy: -595.768913 where: bonds (distance) C4'-P energy: -125.723 bonds (distance) P-C4' energy: -126.194 flat angles C4'-P-C4' energy: -136.945 flat angles P-C4'-P energy: -64.773 tors. eta vs tors. theta energy: -142.133 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: 7, replica: 5 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1543.713122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.713122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.713122 (E_RNA) where: Base-Base interactions energy: -957.887 where: short stacking energy: -458.806 Base-Backbone interact. energy: 0.205 local terms energy: -586.030851 where: bonds (distance) C4'-P energy: -142.757 bonds (distance) P-C4' energy: -149.949 flat angles C4'-P-C4' energy: -127.622 flat angles P-C4'-P energy: -72.791 tors. eta vs tors. theta energy: -92.912 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: 8, replica: 9 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1447.343034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.343034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.343034 (E_RNA) where: Base-Base interactions energy: -918.830 where: short stacking energy: -400.261 Base-Backbone interact. energy: -2.499 local terms energy: -526.013983 where: bonds (distance) C4'-P energy: -128.372 bonds (distance) P-C4' energy: -122.128 flat angles C4'-P-C4' energy: -132.916 flat angles P-C4'-P energy: -58.848 tors. eta vs tors. theta energy: -83.750 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: 9, replica: 10 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -1202.657149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.657149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.657149 (E_RNA) where: Base-Base interactions energy: -731.273 where: short stacking energy: -363.633 Base-Backbone interact. energy: -1.969 local terms energy: -469.415156 where: bonds (distance) C4'-P energy: -119.133 bonds (distance) P-C4' energy: -117.163 flat angles C4'-P-C4' energy: -107.903 flat angles P-C4'-P energy: -71.361 tors. eta vs tors. theta energy: -53.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -1024.910268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.910268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.910268 (E_RNA) where: Base-Base interactions energy: -583.033 where: short stacking energy: -276.306 Base-Backbone interact. energy: 5.007 local terms energy: -446.883720 where: bonds (distance) C4'-P energy: -130.924 bonds (distance) P-C4' energy: -121.855 flat angles C4'-P-C4' energy: -109.309 flat angles P-C4'-P energy: -71.355 tors. eta vs tors. theta energy: -13.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2600.191855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.191855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.191855 (E_RNA) where: Base-Base interactions energy: -1807.030 where: short stacking energy: -768.479 Base-Backbone interact. energy: -1.719 local terms energy: -791.443249 where: bonds (distance) C4'-P energy: -135.726 bonds (distance) P-C4' energy: -137.140 flat angles C4'-P-C4' energy: -180.490 flat angles P-C4'-P energy: -106.291 tors. eta vs tors. theta energy: -231.796 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: 203 Temperature: 0.950000 Total energy: -2424.796414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.796414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.796414 (E_RNA) where: Base-Base interactions energy: -1670.666 where: short stacking energy: -673.190 Base-Backbone interact. energy: 0.312 local terms energy: -754.442507 where: bonds (distance) C4'-P energy: -163.188 bonds (distance) P-C4' energy: -156.230 flat angles C4'-P-C4' energy: -150.208 flat angles P-C4'-P energy: -98.553 tors. eta vs tors. theta energy: -186.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2399.576559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.576559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.576559 (E_RNA) where: Base-Base interactions energy: -1634.543 where: short stacking energy: -727.614 Base-Backbone interact. energy: -4.026 local terms energy: -761.007385 where: bonds (distance) C4'-P energy: -136.393 bonds (distance) P-C4' energy: -141.965 flat angles C4'-P-C4' energy: -157.110 flat angles P-C4'-P energy: -104.004 tors. eta vs tors. theta energy: -221.536 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: 4, replica: 8 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2244.549022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.549022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.549022 (E_RNA) where: Base-Base interactions energy: -1527.520 where: short stacking energy: -640.243 Base-Backbone interact. energy: -0.939 local terms energy: -716.089762 where: bonds (distance) C4'-P energy: -143.587 bonds (distance) P-C4' energy: -145.722 flat angles C4'-P-C4' energy: -144.801 flat angles P-C4'-P energy: -117.324 tors. eta vs tors. theta energy: -164.655 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: 6 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1983.414222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.414222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.414222 (E_RNA) where: Base-Base interactions energy: -1331.334 where: short stacking energy: -557.517 Base-Backbone interact. energy: -2.734 local terms energy: -649.345827 where: bonds (distance) C4'-P energy: -111.819 bonds (distance) P-C4' energy: -146.033 flat angles C4'-P-C4' energy: -136.195 flat angles P-C4'-P energy: -92.920 tors. eta vs tors. theta energy: -162.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1741.349245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.349245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.349245 (E_RNA) where: Base-Base interactions energy: -1138.116 where: short stacking energy: -504.620 Base-Backbone interact. energy: -2.126 local terms energy: -601.107210 where: bonds (distance) C4'-P energy: -122.306 bonds (distance) P-C4' energy: -118.781 flat angles C4'-P-C4' energy: -149.314 flat angles P-C4'-P energy: -84.979 tors. eta vs tors. theta energy: -125.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1652.353333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.353333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.353333 (E_RNA) where: Base-Base interactions energy: -1035.070 where: short stacking energy: -506.044 Base-Backbone interact. energy: -2.251 local terms energy: -615.032595 where: bonds (distance) C4'-P energy: -139.396 bonds (distance) P-C4' energy: -134.574 flat angles C4'-P-C4' energy: -123.888 flat angles P-C4'-P energy: -77.343 tors. eta vs tors. theta energy: -139.833 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: 9 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1412.608603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.608603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.608603 (E_RNA) where: Base-Base interactions energy: -893.939 where: short stacking energy: -412.823 Base-Backbone interact. energy: 6.675 local terms energy: -525.344527 where: bonds (distance) C4'-P energy: -122.588 bonds (distance) P-C4' energy: -109.205 flat angles C4'-P-C4' energy: -135.320 flat angles P-C4'-P energy: -76.373 tors. eta vs tors. theta energy: -81.858 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: 10 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -1233.861797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.861797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.861797 (E_RNA) where: Base-Base interactions energy: -761.175 where: short stacking energy: -350.950 Base-Backbone interact. energy: 2.522 local terms energy: -475.208674 where: bonds (distance) C4'-P energy: -113.052 bonds (distance) P-C4' energy: -121.385 flat angles C4'-P-C4' energy: -116.317 flat angles P-C4'-P energy: -77.073 tors. eta vs tors. theta energy: -47.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -930.970161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.970161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.970161 (E_RNA) where: Base-Base interactions energy: -498.172 where: short stacking energy: -266.540 Base-Backbone interact. energy: 4.889 local terms energy: -437.686820 where: bonds (distance) C4'-P energy: -116.623 bonds (distance) P-C4' energy: -122.654 flat angles C4'-P-C4' energy: -105.455 flat angles P-C4'-P energy: -74.938 tors. eta vs tors. theta energy: -18.017 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: 1, replica: 2 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2602.631250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.631250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.631250 (E_RNA) where: Base-Base interactions energy: -1792.824 where: short stacking energy: -791.594 Base-Backbone interact. energy: -5.909 local terms energy: -804.659696 where: bonds (distance) C4'-P energy: -145.402 bonds (distance) P-C4' energy: -151.664 flat angles C4'-P-C4' energy: -173.755 flat angles P-C4'-P energy: -105.140 tors. eta vs tors. theta energy: -228.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.761 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2473.570000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.570000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.570000 (E_RNA) where: Base-Base interactions energy: -1705.088 where: short stacking energy: -713.719 Base-Backbone interact. energy: -3.075 local terms energy: -765.406750 where: bonds (distance) C4'-P energy: -143.934 bonds (distance) P-C4' energy: -155.209 flat angles C4'-P-C4' energy: -158.299 flat angles P-C4'-P energy: -114.145 tors. eta vs tors. theta energy: -193.820 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: 3 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2372.900365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.900365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.900365 (E_RNA) where: Base-Base interactions energy: -1606.548 where: short stacking energy: -696.718 Base-Backbone interact. energy: -3.307 local terms energy: -763.045368 where: bonds (distance) C4'-P energy: -136.717 bonds (distance) P-C4' energy: -151.842 flat angles C4'-P-C4' energy: -163.324 flat angles P-C4'-P energy: -106.598 tors. eta vs tors. theta energy: -204.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2275.595283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.595283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.595283 (E_RNA) where: Base-Base interactions energy: -1573.066 where: short stacking energy: -683.708 Base-Backbone interact. energy: -2.853 local terms energy: -699.675719 where: bonds (distance) C4'-P energy: -121.657 bonds (distance) P-C4' energy: -143.330 flat angles C4'-P-C4' energy: -157.164 flat angles P-C4'-P energy: -89.077 tors. eta vs tors. theta energy: -188.448 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: 6 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -2028.798117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.798117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.798117 (E_RNA) where: Base-Base interactions energy: -1387.870 where: short stacking energy: -589.985 Base-Backbone interact. energy: 0.439 local terms energy: -641.367930 where: bonds (distance) C4'-P energy: -118.386 bonds (distance) P-C4' energy: -130.133 flat angles C4'-P-C4' energy: -149.366 flat angles P-C4'-P energy: -85.782 tors. eta vs tors. theta energy: -157.702 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: 7 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1753.896326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.896326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.896326 (E_RNA) where: Base-Base interactions energy: -1159.029 where: short stacking energy: -521.777 Base-Backbone interact. energy: -4.329 local terms energy: -590.538723 where: bonds (distance) C4'-P energy: -131.385 bonds (distance) P-C4' energy: -140.688 flat angles C4'-P-C4' energy: -135.729 flat angles P-C4'-P energy: -55.830 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: 5 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1608.020164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.020164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.020164 (E_RNA) where: Base-Base interactions energy: -1040.343 where: short stacking energy: -468.586 Base-Backbone interact. energy: -0.700 local terms energy: -566.977298 where: bonds (distance) C4'-P energy: -125.381 bonds (distance) P-C4' energy: -115.055 flat angles C4'-P-C4' energy: -138.878 flat angles P-C4'-P energy: -81.113 tors. eta vs tors. theta energy: -106.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1452.518707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.518707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.518707 (E_RNA) where: Base-Base interactions energy: -898.540 where: short stacking energy: -405.395 Base-Backbone interact. energy: 3.489 local terms energy: -557.467293 where: bonds (distance) C4'-P energy: -117.448 bonds (distance) P-C4' energy: -111.079 flat angles C4'-P-C4' energy: -151.929 flat angles P-C4'-P energy: -89.268 tors. eta vs tors. theta energy: -87.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -1281.747992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.747992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.747992 (E_RNA) where: Base-Base interactions energy: -786.274 where: short stacking energy: -361.207 Base-Backbone interact. energy: 2.710 local terms energy: -498.184746 where: bonds (distance) C4'-P energy: -109.831 bonds (distance) P-C4' energy: -122.013 flat angles C4'-P-C4' energy: -125.860 flat angles P-C4'-P energy: -76.296 tors. eta vs tors. theta energy: -64.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -867.065098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.065098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.065098 (E_RNA) where: Base-Base interactions energy: -460.615 where: short stacking energy: -246.194 Base-Backbone interact. energy: 1.590 local terms energy: -408.040147 where: bonds (distance) C4'-P energy: -98.542 bonds (distance) P-C4' energy: -122.526 flat angles C4'-P-C4' energy: -106.962 flat angles P-C4'-P energy: -77.052 tors. eta vs tors. theta energy: -2.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2602.403270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.403270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.403270 (E_RNA) where: Base-Base interactions energy: -1790.674 where: short stacking energy: -778.416 Base-Backbone interact. energy: -2.731 local terms energy: -808.998720 where: bonds (distance) C4'-P energy: -151.092 bonds (distance) P-C4' energy: -137.893 flat angles C4'-P-C4' energy: -172.241 flat angles P-C4'-P energy: -121.560 tors. eta vs tors. theta energy: -226.212 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: 4 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2448.503717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.503717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.503717 (E_RNA) where: Base-Base interactions energy: -1712.796 where: short stacking energy: -722.122 Base-Backbone interact. energy: 4.898 local terms energy: -740.605274 where: bonds (distance) C4'-P energy: -130.602 bonds (distance) P-C4' energy: -158.566 flat angles C4'-P-C4' energy: -143.138 flat angles P-C4'-P energy: -108.199 tors. eta vs tors. theta energy: -200.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2371.218116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.218116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.218116 (E_RNA) where: Base-Base interactions energy: -1577.661 where: short stacking energy: -689.873 Base-Backbone interact. energy: -3.975 local terms energy: -789.582232 where: bonds (distance) C4'-P energy: -149.905 bonds (distance) P-C4' energy: -163.922 flat angles C4'-P-C4' energy: -158.384 flat angles P-C4'-P energy: -108.571 tors. eta vs tors. theta energy: -208.800 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: 4, replica: 8 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2263.432760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.432760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.432760 (E_RNA) where: Base-Base interactions energy: -1559.828 where: short stacking energy: -639.582 Base-Backbone interact. energy: -4.820 local terms energy: -698.785046 where: bonds (distance) C4'-P energy: -147.213 bonds (distance) P-C4' energy: -135.070 flat angles C4'-P-C4' energy: -157.835 flat angles P-C4'-P energy: -75.983 tors. eta vs tors. theta energy: -182.685 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: 6 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2032.012104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.012104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.012104 (E_RNA) where: Base-Base interactions energy: -1346.914 where: short stacking energy: -584.028 Base-Backbone interact. energy: -2.365 local terms energy: -682.733116 where: bonds (distance) C4'-P energy: -113.023 bonds (distance) P-C4' energy: -141.062 flat angles C4'-P-C4' energy: -163.902 flat angles P-C4'-P energy: -102.330 tors. eta vs tors. theta energy: -162.417 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: 7 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1808.027596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.027596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.027596 (E_RNA) where: Base-Base interactions energy: -1181.552 where: short stacking energy: -529.769 Base-Backbone interact. energy: -0.836 local terms energy: -625.640140 where: bonds (distance) C4'-P energy: -125.918 bonds (distance) P-C4' energy: -113.281 flat angles C4'-P-C4' energy: -149.133 flat angles P-C4'-P energy: -87.148 tors. eta vs tors. theta energy: -150.160 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: 5 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1683.983597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.983597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.983597 (E_RNA) where: Base-Base interactions energy: -1068.029 where: short stacking energy: -484.870 Base-Backbone interact. energy: -3.487 local terms energy: -612.467366 where: bonds (distance) C4'-P energy: -128.600 bonds (distance) P-C4' energy: -144.807 flat angles C4'-P-C4' energy: -120.699 flat angles P-C4'-P energy: -106.150 tors. eta vs tors. theta energy: -112.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1408.736415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.736415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.736415 (E_RNA) where: Base-Base interactions energy: -865.722 where: short stacking energy: -378.365 Base-Backbone interact. energy: 0.730 local terms energy: -543.744551 where: bonds (distance) C4'-P energy: -121.874 bonds (distance) P-C4' energy: -140.260 flat angles C4'-P-C4' energy: -133.251 flat angles P-C4'-P energy: -66.704 tors. eta vs tors. theta energy: -81.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -1253.661236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.661236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.661236 (E_RNA) where: Base-Base interactions energy: -773.632 where: short stacking energy: -366.251 Base-Backbone interact. energy: -4.130 local terms energy: -475.899920 where: bonds (distance) C4'-P energy: -108.183 bonds (distance) P-C4' energy: -112.523 flat angles C4'-P-C4' energy: -115.494 flat angles P-C4'-P energy: -68.769 tors. eta vs tors. theta energy: -70.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -840.674571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.674571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.674571 (E_RNA) where: Base-Base interactions energy: -427.273 where: short stacking energy: -236.426 Base-Backbone interact. energy: -2.469 local terms energy: -410.932175 where: bonds (distance) C4'-P energy: -115.231 bonds (distance) P-C4' energy: -125.534 flat angles C4'-P-C4' energy: -117.453 flat angles P-C4'-P energy: -63.645 tors. eta vs tors. theta energy: 10.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2553.176207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.176207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.176207 (E_RNA) where: Base-Base interactions energy: -1727.801 where: short stacking energy: -760.265 Base-Backbone interact. energy: -1.830 local terms energy: -823.545442 where: bonds (distance) C4'-P energy: -157.585 bonds (distance) P-C4' energy: -154.179 flat angles C4'-P-C4' energy: -165.210 flat angles P-C4'-P energy: -119.018 tors. eta vs tors. theta energy: -227.552 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: 206 Temperature: 0.950000 Total energy: -2474.268798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.268798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.268798 (E_RNA) where: Base-Base interactions energy: -1716.695 where: short stacking energy: -727.255 Base-Backbone interact. energy: 0.444 local terms energy: -758.017246 where: bonds (distance) C4'-P energy: -132.192 bonds (distance) P-C4' energy: -161.339 flat angles C4'-P-C4' energy: -159.379 flat angles P-C4'-P energy: -109.836 tors. eta vs tors. theta energy: -195.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2355.623265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.623265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.623265 (E_RNA) where: Base-Base interactions energy: -1613.287 where: short stacking energy: -686.840 Base-Backbone interact. energy: -3.662 local terms energy: -738.674766 where: bonds (distance) C4'-P energy: -140.349 bonds (distance) P-C4' energy: -142.039 flat angles C4'-P-C4' energy: -158.663 flat angles P-C4'-P energy: -96.989 tors. eta vs tors. theta energy: -200.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2290.933221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.933221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.933221 (E_RNA) where: Base-Base interactions energy: -1566.056 where: short stacking energy: -661.043 Base-Backbone interact. energy: -3.818 local terms energy: -721.059741 where: bonds (distance) C4'-P energy: -135.906 bonds (distance) P-C4' energy: -147.033 flat angles C4'-P-C4' energy: -152.048 flat angles P-C4'-P energy: -99.536 tors. eta vs tors. theta energy: -186.536 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: 6 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2009.142855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.142855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.142855 (E_RNA) where: Base-Base interactions energy: -1335.356 where: short stacking energy: -566.195 Base-Backbone interact. energy: -1.003 local terms energy: -672.783824 where: bonds (distance) C4'-P energy: -121.794 bonds (distance) P-C4' energy: -130.131 flat angles C4'-P-C4' energy: -152.843 flat angles P-C4'-P energy: -107.239 tors. eta vs tors. theta energy: -160.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1726.242055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.242055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.242055 (E_RNA) where: Base-Base interactions energy: -1116.594 where: short stacking energy: -509.733 Base-Backbone interact. energy: 1.063 local terms energy: -610.711338 where: bonds (distance) C4'-P energy: -111.674 bonds (distance) P-C4' energy: -119.531 flat angles C4'-P-C4' energy: -153.429 flat angles P-C4'-P energy: -100.151 tors. eta vs tors. theta energy: -125.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1719.516058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.516058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.516058 (E_RNA) where: Base-Base interactions energy: -1103.756 where: short stacking energy: -520.004 Base-Backbone interact. energy: -3.135 local terms energy: -612.624846 where: bonds (distance) C4'-P energy: -129.783 bonds (distance) P-C4' energy: -136.753 flat angles C4'-P-C4' energy: -128.350 flat angles P-C4'-P energy: -94.757 tors. eta vs tors. theta energy: -122.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1346.221137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.221137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.221137 (E_RNA) where: Base-Base interactions energy: -833.887 where: short stacking energy: -374.396 Base-Backbone interact. energy: -1.270 local terms energy: -511.063733 where: bonds (distance) C4'-P energy: -114.952 bonds (distance) P-C4' energy: -133.224 flat angles C4'-P-C4' energy: -122.736 flat angles P-C4'-P energy: -59.191 tors. eta vs tors. theta energy: -80.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -1213.329473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.329473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.329473 (E_RNA) where: Base-Base interactions energy: -701.755 where: short stacking energy: -340.631 Base-Backbone interact. energy: -2.963 local terms energy: -508.611340 where: bonds (distance) C4'-P energy: -118.217 bonds (distance) P-C4' energy: -128.361 flat angles C4'-P-C4' energy: -108.133 flat angles P-C4'-P energy: -96.962 tors. eta vs tors. theta energy: -56.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -855.741770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.741770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.741770 (E_RNA) where: Base-Base interactions energy: -459.145 where: short stacking energy: -247.825 Base-Backbone interact. energy: -0.097 local terms energy: -396.499258 where: bonds (distance) C4'-P energy: -104.615 bonds (distance) P-C4' energy: -117.774 flat angles C4'-P-C4' energy: -107.847 flat angles P-C4'-P energy: -60.826 tors. eta vs tors. theta energy: -5.437 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: 2 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -2570.245558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.245558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.245558 (E_RNA) where: Base-Base interactions energy: -1749.210 where: short stacking energy: -763.481 Base-Backbone interact. energy: -2.507 local terms energy: -818.528693 where: bonds (distance) C4'-P energy: -145.258 bonds (distance) P-C4' energy: -149.352 flat angles C4'-P-C4' energy: -168.999 flat angles P-C4'-P energy: -125.621 tors. eta vs tors. theta energy: -229.298 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: 4 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2458.256599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.256599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.256599 (E_RNA) where: Base-Base interactions energy: -1711.153 where: short stacking energy: -705.538 Base-Backbone interact. energy: -0.452 local terms energy: -746.651854 where: bonds (distance) C4'-P energy: -148.261 bonds (distance) P-C4' energy: -144.421 flat angles C4'-P-C4' energy: -160.638 flat angles P-C4'-P energy: -94.520 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: 3, replica: 3 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2322.191262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.191262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.191262 (E_RNA) where: Base-Base interactions energy: -1570.455 where: short stacking energy: -690.553 Base-Backbone interact. energy: 0.030 local terms energy: -751.765487 where: bonds (distance) C4'-P energy: -126.720 bonds (distance) P-C4' energy: -155.158 flat angles C4'-P-C4' energy: -156.998 flat angles P-C4'-P energy: -105.833 tors. eta vs tors. theta energy: -207.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2255.374445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.374445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.374445 (E_RNA) where: Base-Base interactions energy: -1530.815 where: short stacking energy: -663.547 Base-Backbone interact. energy: 3.387 local terms energy: -727.946630 where: bonds (distance) C4'-P energy: -132.711 bonds (distance) P-C4' energy: -139.124 flat angles C4'-P-C4' energy: -163.987 flat angles P-C4'-P energy: -102.511 tors. eta vs tors. theta energy: -189.613 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: 5, replica: 6 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1977.288048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.288048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.288048 (E_RNA) where: Base-Base interactions energy: -1309.397 where: short stacking energy: -602.931 Base-Backbone interact. energy: 1.208 local terms energy: -669.099150 where: bonds (distance) C4'-P energy: -144.074 bonds (distance) P-C4' energy: -136.462 flat angles C4'-P-C4' energy: -135.386 flat angles P-C4'-P energy: -95.702 tors. eta vs tors. theta energy: -157.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1787.135963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.135963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.135963 (E_RNA) where: Base-Base interactions energy: -1156.681 where: short stacking energy: -520.648 Base-Backbone interact. energy: -3.227 local terms energy: -627.228224 where: bonds (distance) C4'-P energy: -130.095 bonds (distance) P-C4' energy: -136.361 flat angles C4'-P-C4' energy: -121.869 flat angles P-C4'-P energy: -101.277 tors. eta vs tors. theta energy: -137.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1701.020589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.020589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.020589 (E_RNA) where: Base-Base interactions energy: -1090.110 where: short stacking energy: -492.699 Base-Backbone interact. energy: 10.879 local terms energy: -621.790395 where: bonds (distance) C4'-P energy: -143.526 bonds (distance) P-C4' energy: -136.805 flat angles C4'-P-C4' energy: -137.934 flat angles P-C4'-P energy: -78.003 tors. eta vs tors. theta energy: -125.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1298.441273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.441273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.441273 (E_RNA) where: Base-Base interactions energy: -813.876 where: short stacking energy: -348.501 Base-Backbone interact. energy: 2.811 local terms energy: -487.375813 where: bonds (distance) C4'-P energy: -100.489 bonds (distance) P-C4' energy: -131.999 flat angles C4'-P-C4' energy: -119.597 flat angles P-C4'-P energy: -90.865 tors. eta vs tors. theta energy: -44.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -1145.131566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.131566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.131566 (E_RNA) where: Base-Base interactions energy: -663.661 where: short stacking energy: -295.604 Base-Backbone interact. energy: 2.310 local terms energy: -483.780219 where: bonds (distance) C4'-P energy: -114.653 bonds (distance) P-C4' energy: -118.339 flat angles C4'-P-C4' energy: -119.023 flat angles P-C4'-P energy: -83.283 tors. eta vs tors. theta energy: -48.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -846.368562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.368562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.368562 (E_RNA) where: Base-Base interactions energy: -432.468 where: short stacking energy: -239.967 Base-Backbone interact. energy: 2.633 local terms energy: -416.533173 where: bonds (distance) C4'-P energy: -119.993 bonds (distance) P-C4' energy: -128.557 flat angles C4'-P-C4' energy: -95.043 flat angles P-C4'-P energy: -63.751 tors. eta vs tors. theta energy: -9.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2601.433362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.433362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.433362 (E_RNA) where: Base-Base interactions energy: -1756.085 where: short stacking energy: -766.934 Base-Backbone interact. energy: -3.642 local terms energy: -842.504069 where: bonds (distance) C4'-P energy: -157.177 bonds (distance) P-C4' energy: -170.473 flat angles C4'-P-C4' energy: -175.072 flat angles P-C4'-P energy: -111.258 tors. eta vs tors. theta energy: -228.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.797 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2440.070786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.070786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.070786 (E_RNA) where: Base-Base interactions energy: -1671.846 where: short stacking energy: -720.801 Base-Backbone interact. energy: 0.691 local terms energy: -769.499465 where: bonds (distance) C4'-P energy: -139.283 bonds (distance) P-C4' energy: -145.455 flat angles C4'-P-C4' energy: -182.320 flat angles P-C4'-P energy: -109.442 tors. eta vs tors. theta energy: -192.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.584 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2348.708821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.708821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.708821 (E_RNA) where: Base-Base interactions energy: -1579.234 where: short stacking energy: -705.060 Base-Backbone interact. energy: 1.641 local terms energy: -771.116443 where: bonds (distance) C4'-P energy: -155.520 bonds (distance) P-C4' energy: -143.473 flat angles C4'-P-C4' energy: -172.861 flat angles P-C4'-P energy: -93.847 tors. eta vs tors. theta energy: -205.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2264.184532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.184532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.184532 (E_RNA) where: Base-Base interactions energy: -1539.558 where: short stacking energy: -680.938 Base-Backbone interact. energy: -3.449 local terms energy: -721.176783 where: bonds (distance) C4'-P energy: -129.113 bonds (distance) P-C4' energy: -150.821 flat angles C4'-P-C4' energy: -152.392 flat angles P-C4'-P energy: -98.463 tors. eta vs tors. theta energy: -190.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2000.235668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.235668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.235668 (E_RNA) where: Base-Base interactions energy: -1336.644 where: short stacking energy: -557.064 Base-Backbone interact. energy: -1.325 local terms energy: -662.265916 where: bonds (distance) C4'-P energy: -124.762 bonds (distance) P-C4' energy: -145.922 flat angles C4'-P-C4' energy: -153.763 flat angles P-C4'-P energy: -81.360 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: 6, replica: 7 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1821.813504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.813504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.813504 (E_RNA) where: Base-Base interactions energy: -1203.821 where: short stacking energy: -540.534 Base-Backbone interact. energy: -3.279 local terms energy: -614.713027 where: bonds (distance) C4'-P energy: -130.947 bonds (distance) P-C4' energy: -134.199 flat angles C4'-P-C4' energy: -135.661 flat angles P-C4'-P energy: -75.524 tors. eta vs tors. theta energy: -138.382 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: 5 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1601.690324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.690324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.690324 (E_RNA) where: Base-Base interactions energy: -1048.170 where: short stacking energy: -463.145 Base-Backbone interact. energy: 0.253 local terms energy: -553.773669 where: bonds (distance) C4'-P energy: -122.181 bonds (distance) P-C4' energy: -116.297 flat angles C4'-P-C4' energy: -127.747 flat angles P-C4'-P energy: -75.674 tors. eta vs tors. theta energy: -111.875 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: 9 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1351.425119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.425119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.425119 (E_RNA) where: Base-Base interactions energy: -829.003 where: short stacking energy: -393.880 Base-Backbone interact. energy: -0.975 local terms energy: -521.447121 where: bonds (distance) C4'-P energy: -141.042 bonds (distance) P-C4' energy: -118.724 flat angles C4'-P-C4' energy: -133.972 flat angles P-C4'-P energy: -64.054 tors. eta vs tors. theta energy: -63.654 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: 208 Temperature: 1.300000 Total energy: -1276.580547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.580547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.580547 (E_RNA) where: Base-Base interactions energy: -763.242 where: short stacking energy: -359.755 Base-Backbone interact. energy: -0.809 local terms energy: -512.530143 where: bonds (distance) C4'-P energy: -115.739 bonds (distance) P-C4' energy: -133.305 flat angles C4'-P-C4' energy: -140.488 flat angles P-C4'-P energy: -78.231 tors. eta vs tors. theta energy: -44.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -822.140185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.140185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.140185 (E_RNA) where: Base-Base interactions energy: -417.732 where: short stacking energy: -230.007 Base-Backbone interact. energy: -0.859 local terms energy: -403.548864 where: bonds (distance) C4'-P energy: -118.071 bonds (distance) P-C4' energy: -116.124 flat angles C4'-P-C4' energy: -97.266 flat angles P-C4'-P energy: -61.612 tors. eta vs tors. theta energy: -10.475 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: 2 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2606.208042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.208042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.208042 (E_RNA) where: Base-Base interactions energy: -1805.231 where: short stacking energy: -770.798 Base-Backbone interact. energy: -2.330 local terms energy: -798.647828 where: bonds (distance) C4'-P energy: -151.547 bonds (distance) P-C4' energy: -149.582 flat angles C4'-P-C4' energy: -176.118 flat angles P-C4'-P energy: -112.143 tors. eta vs tors. theta energy: -209.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2425.521923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.521923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.521923 (E_RNA) where: Base-Base interactions energy: -1674.792 where: short stacking energy: -678.965 Base-Backbone interact. energy: -2.710 local terms energy: -748.019740 where: bonds (distance) C4'-P energy: -144.101 bonds (distance) P-C4' energy: -154.946 flat angles C4'-P-C4' energy: -157.358 flat angles P-C4'-P energy: -109.973 tors. eta vs tors. theta energy: -181.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2357.449938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.449938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.449938 (E_RNA) where: Base-Base interactions energy: -1599.211 where: short stacking energy: -704.835 Base-Backbone interact. energy: 1.592 local terms energy: -759.830283 where: bonds (distance) C4'-P energy: -140.805 bonds (distance) P-C4' energy: -138.170 flat angles C4'-P-C4' energy: -165.932 flat angles P-C4'-P energy: -109.189 tors. eta vs tors. theta energy: -205.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2223.835280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.835280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.835280 (E_RNA) where: Base-Base interactions energy: -1523.229 where: short stacking energy: -647.453 Base-Backbone interact. energy: -3.354 local terms energy: -697.252717 where: bonds (distance) C4'-P energy: -131.822 bonds (distance) P-C4' energy: -145.398 flat angles C4'-P-C4' energy: -157.624 flat angles P-C4'-P energy: -85.363 tors. eta vs tors. theta energy: -177.046 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: 6 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1974.591060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.591060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.591060 (E_RNA) where: Base-Base interactions energy: -1307.558 where: short stacking energy: -568.807 Base-Backbone interact. energy: 0.108 local terms energy: -667.141605 where: bonds (distance) C4'-P energy: -144.875 bonds (distance) P-C4' energy: -130.160 flat angles C4'-P-C4' energy: -142.200 flat angles P-C4'-P energy: -88.143 tors. eta vs tors. theta energy: -161.764 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: 7 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1731.539080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.539080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.539080 (E_RNA) where: Base-Base interactions energy: -1133.315 where: short stacking energy: -493.583 Base-Backbone interact. energy: -4.200 local terms energy: -594.024087 where: bonds (distance) C4'-P energy: -127.503 bonds (distance) P-C4' energy: -132.352 flat angles C4'-P-C4' energy: -135.423 flat angles P-C4'-P energy: -95.708 tors. eta vs tors. theta energy: -103.038 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: 7, replica: 5 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1682.003680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.003680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.003680 (E_RNA) where: Base-Base interactions energy: -1100.508 where: short stacking energy: -477.483 Base-Backbone interact. energy: -2.289 local terms energy: -579.206559 where: bonds (distance) C4'-P energy: -133.753 bonds (distance) P-C4' energy: -139.155 flat angles C4'-P-C4' energy: -144.392 flat angles P-C4'-P energy: -59.056 tors. eta vs tors. theta energy: -102.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1364.944835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.944835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.944835 (E_RNA) where: Base-Base interactions energy: -835.570 where: short stacking energy: -392.294 Base-Backbone interact. energy: 0.007 local terms energy: -529.381693 where: bonds (distance) C4'-P energy: -105.918 bonds (distance) P-C4' energy: -148.139 flat angles C4'-P-C4' energy: -109.507 flat angles P-C4'-P energy: -82.611 tors. eta vs tors. theta energy: -83.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -1202.559322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.559322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.559322 (E_RNA) where: Base-Base interactions energy: -721.249 where: short stacking energy: -363.148 Base-Backbone interact. energy: -0.800 local terms energy: -480.510898 where: bonds (distance) C4'-P energy: -103.775 bonds (distance) P-C4' energy: -136.111 flat angles C4'-P-C4' energy: -115.073 flat angles P-C4'-P energy: -72.633 tors. eta vs tors. theta energy: -52.919 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: 1 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -847.882176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.882176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.882176 (E_RNA) where: Base-Base interactions energy: -477.250 where: short stacking energy: -245.548 Base-Backbone interact. energy: 0.546 local terms energy: -371.178231 where: bonds (distance) C4'-P energy: -108.160 bonds (distance) P-C4' energy: -106.401 flat angles C4'-P-C4' energy: -89.965 flat angles P-C4'-P energy: -79.505 tors. eta vs tors. theta energy: 12.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2610.963422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.963422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.963422 (E_RNA) where: Base-Base interactions energy: -1799.756 where: short stacking energy: -757.418 Base-Backbone interact. energy: -5.809 local terms energy: -805.398669 where: bonds (distance) C4'-P energy: -145.730 bonds (distance) P-C4' energy: -146.101 flat angles C4'-P-C4' energy: -175.411 flat angles P-C4'-P energy: -113.174 tors. eta vs tors. theta energy: -224.984 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: 210 Temperature: 0.950000 Total energy: -2426.939810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.939810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.939810 (E_RNA) where: Base-Base interactions energy: -1708.301 where: short stacking energy: -703.347 Base-Backbone interact. energy: 2.205 local terms energy: -720.843743 where: bonds (distance) C4'-P energy: -135.639 bonds (distance) P-C4' energy: -154.927 flat angles C4'-P-C4' energy: -162.694 flat angles P-C4'-P energy: -89.237 tors. eta vs tors. theta energy: -178.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2381.677931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.677931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.677931 (E_RNA) where: Base-Base interactions energy: -1615.663 where: short stacking energy: -703.691 Base-Backbone interact. energy: -1.451 local terms energy: -764.564040 where: bonds (distance) C4'-P energy: -134.841 bonds (distance) P-C4' energy: -147.240 flat angles C4'-P-C4' energy: -165.497 flat angles P-C4'-P energy: -110.954 tors. eta vs tors. theta energy: -206.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2258.983469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.983469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.983469 (E_RNA) where: Base-Base interactions energy: -1538.781 where: short stacking energy: -669.418 Base-Backbone interact. energy: -3.103 local terms energy: -717.099576 where: bonds (distance) C4'-P energy: -136.635 bonds (distance) P-C4' energy: -143.923 flat angles C4'-P-C4' energy: -155.909 flat angles P-C4'-P energy: -99.380 tors. eta vs tors. theta energy: -181.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1984.523873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.523873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.523873 (E_RNA) where: Base-Base interactions energy: -1329.506 where: short stacking energy: -582.648 Base-Backbone interact. energy: 3.639 local terms energy: -658.657068 where: bonds (distance) C4'-P energy: -112.803 bonds (distance) P-C4' energy: -149.555 flat angles C4'-P-C4' energy: -148.212 flat angles P-C4'-P energy: -94.228 tors. eta vs tors. theta energy: -153.860 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: 6, replica: 7 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1780.829691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.829691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.829691 (E_RNA) where: Base-Base interactions energy: -1164.993 where: short stacking energy: -514.153 Base-Backbone interact. energy: 4.473 local terms energy: -620.309582 where: bonds (distance) C4'-P energy: -144.645 bonds (distance) P-C4' energy: -131.848 flat angles C4'-P-C4' energy: -138.910 flat angles P-C4'-P energy: -76.933 tors. eta vs tors. theta energy: -127.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1710.977420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.977420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.977420 (E_RNA) where: Base-Base interactions energy: -1087.283 where: short stacking energy: -501.156 Base-Backbone interact. energy: 3.155 local terms energy: -626.848952 where: bonds (distance) C4'-P energy: -142.900 bonds (distance) P-C4' energy: -127.788 flat angles C4'-P-C4' energy: -157.586 flat angles P-C4'-P energy: -76.860 tors. eta vs tors. theta energy: -121.715 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: 8, replica: 9 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1402.068177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.068177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.068177 (E_RNA) where: Base-Base interactions energy: -917.605 where: short stacking energy: -414.766 Base-Backbone interact. energy: 0.033 local terms energy: -484.496925 where: bonds (distance) C4'-P energy: -130.696 bonds (distance) P-C4' energy: -112.543 flat angles C4'-P-C4' energy: -103.615 flat angles P-C4'-P energy: -70.042 tors. eta vs tors. theta energy: -67.601 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: 9, replica: 10 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1203.459116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.459116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.459116 (E_RNA) where: Base-Base interactions energy: -725.474 where: short stacking energy: -341.497 Base-Backbone interact. energy: 2.564 local terms energy: -480.549479 where: bonds (distance) C4'-P energy: -115.858 bonds (distance) P-C4' energy: -136.682 flat angles C4'-P-C4' energy: -106.937 flat angles P-C4'-P energy: -70.228 tors. eta vs tors. theta energy: -50.845 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: 10, replica: 1 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -773.656998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.656998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.656998 (E_RNA) where: Base-Base interactions energy: -376.661 where: short stacking energy: -203.147 Base-Backbone interact. energy: 5.450 local terms energy: -402.445405 where: bonds (distance) C4'-P energy: -111.051 bonds (distance) P-C4' energy: -148.021 flat angles C4'-P-C4' energy: -96.922 flat angles P-C4'-P energy: -63.030 tors. eta vs tors. theta energy: 16.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2559.653128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.653128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.653128 (E_RNA) where: Base-Base interactions energy: -1741.131 where: short stacking energy: -742.047 Base-Backbone interact. energy: -2.227 local terms energy: -816.295065 where: bonds (distance) C4'-P energy: -146.234 bonds (distance) P-C4' energy: -151.995 flat angles C4'-P-C4' energy: -170.779 flat angles P-C4'-P energy: -129.228 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: 2, replica: 3 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2437.911726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.911726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.911726 (E_RNA) where: Base-Base interactions energy: -1667.986 where: short stacking energy: -717.175 Base-Backbone interact. energy: -3.590 local terms energy: -766.336059 where: bonds (distance) C4'-P energy: -149.386 bonds (distance) P-C4' energy: -139.632 flat angles C4'-P-C4' energy: -162.334 flat angles P-C4'-P energy: -103.340 tors. eta vs tors. theta energy: -211.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2363.953948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.953948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.953948 (E_RNA) where: Base-Base interactions energy: -1648.910 where: short stacking energy: -667.046 Base-Backbone interact. energy: -1.743 local terms energy: -713.300981 where: bonds (distance) C4'-P energy: -134.442 bonds (distance) P-C4' energy: -132.254 flat angles C4'-P-C4' energy: -159.339 flat angles P-C4'-P energy: -116.055 tors. eta vs tors. theta energy: -171.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2255.931483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.931483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.931483 (E_RNA) where: Base-Base interactions energy: -1554.041 where: short stacking energy: -666.475 Base-Backbone interact. energy: 0.607 local terms energy: -702.497529 where: bonds (distance) C4'-P energy: -131.638 bonds (distance) P-C4' energy: -144.533 flat angles C4'-P-C4' energy: -157.675 flat angles P-C4'-P energy: -91.538 tors. eta vs tors. theta energy: -177.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2002.737708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.737708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.737708 (E_RNA) where: Base-Base interactions energy: -1322.192 where: short stacking energy: -565.299 Base-Backbone interact. energy: -2.930 local terms energy: -677.616207 where: bonds (distance) C4'-P energy: -142.279 bonds (distance) P-C4' energy: -156.272 flat angles C4'-P-C4' energy: -142.078 flat angles P-C4'-P energy: -90.599 tors. eta vs tors. theta energy: -146.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1777.758055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.758055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.758055 (E_RNA) where: Base-Base interactions energy: -1190.870 where: short stacking energy: -515.854 Base-Backbone interact. energy: 0.381 local terms energy: -587.268872 where: bonds (distance) C4'-P energy: -126.121 bonds (distance) P-C4' energy: -101.339 flat angles C4'-P-C4' energy: -148.157 flat angles P-C4'-P energy: -91.009 tors. eta vs tors. theta energy: -120.643 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: 5 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1713.150676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.150676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.150676 (E_RNA) where: Base-Base interactions energy: -1120.952 where: short stacking energy: -515.410 Base-Backbone interact. energy: 6.331 local terms energy: -598.530051 where: bonds (distance) C4'-P energy: -126.065 bonds (distance) P-C4' energy: -129.044 flat angles C4'-P-C4' energy: -143.825 flat angles P-C4'-P energy: -88.554 tors. eta vs tors. theta energy: -111.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1396.597384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.597384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.597384 (E_RNA) where: Base-Base interactions energy: -909.123 where: short stacking energy: -402.051 Base-Backbone interact. energy: -0.368 local terms energy: -487.106108 where: bonds (distance) C4'-P energy: -111.126 bonds (distance) P-C4' energy: -113.067 flat angles C4'-P-C4' energy: -123.511 flat angles P-C4'-P energy: -65.965 tors. eta vs tors. theta energy: -73.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -1197.667586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.667586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.667586 (E_RNA) where: Base-Base interactions energy: -716.054 where: short stacking energy: -344.650 Base-Backbone interact. energy: -2.236 local terms energy: -479.378159 where: bonds (distance) C4'-P energy: -134.621 bonds (distance) P-C4' energy: -127.594 flat angles C4'-P-C4' energy: -117.551 flat angles P-C4'-P energy: -57.715 tors. eta vs tors. theta energy: -41.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -696.116969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.116969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.116969 (E_RNA) where: Base-Base interactions energy: -315.223 where: short stacking energy: -202.699 Base-Backbone interact. energy: 1.759 local terms energy: -382.653070 where: bonds (distance) C4'-P energy: -107.911 bonds (distance) P-C4' energy: -125.153 flat angles C4'-P-C4' energy: -112.175 flat angles P-C4'-P energy: -49.547 tors. eta vs tors. theta energy: 12.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2583.798941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.798941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.798941 (E_RNA) where: Base-Base interactions energy: -1784.384 where: short stacking energy: -772.580 Base-Backbone interact. energy: -3.787 local terms energy: -795.627820 where: bonds (distance) C4'-P energy: -135.931 bonds (distance) P-C4' energy: -141.710 flat angles C4'-P-C4' energy: -183.233 flat angles P-C4'-P energy: -111.138 tors. eta vs tors. theta energy: -223.616 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: 3 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2488.425678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.425678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.425678 (E_RNA) where: Base-Base interactions energy: -1706.030 where: short stacking energy: -741.658 Base-Backbone interact. energy: -0.934 local terms energy: -781.461267 where: bonds (distance) C4'-P energy: -143.857 bonds (distance) P-C4' energy: -134.911 flat angles C4'-P-C4' energy: -174.294 flat angles P-C4'-P energy: -105.350 tors. eta vs tors. theta energy: -223.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2365.136415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.136415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.136415 (E_RNA) where: Base-Base interactions energy: -1619.222 where: short stacking energy: -667.200 Base-Backbone interact. energy: 0.144 local terms energy: -746.058326 where: bonds (distance) C4'-P energy: -141.809 bonds (distance) P-C4' energy: -146.387 flat angles C4'-P-C4' energy: -162.594 flat angles P-C4'-P energy: -107.684 tors. eta vs tors. theta energy: -187.584 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: 4, replica: 8 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2243.257009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.257009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.257009 (E_RNA) where: Base-Base interactions energy: -1546.725 where: short stacking energy: -654.724 Base-Backbone interact. energy: -4.457 local terms energy: -692.075129 where: bonds (distance) C4'-P energy: -128.452 bonds (distance) P-C4' energy: -144.441 flat angles C4'-P-C4' energy: -163.387 flat angles P-C4'-P energy: -90.559 tors. eta vs tors. theta energy: -165.235 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: 5, replica: 6 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1962.604537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.604537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.604537 (E_RNA) where: Base-Base interactions energy: -1314.649 where: short stacking energy: -559.323 Base-Backbone interact. energy: -0.384 local terms energy: -647.571393 where: bonds (distance) C4'-P energy: -131.270 bonds (distance) P-C4' energy: -134.258 flat angles C4'-P-C4' energy: -140.085 flat angles P-C4'-P energy: -94.447 tors. eta vs tors. theta energy: -147.512 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: 7 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1755.436158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.436158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.436158 (E_RNA) where: Base-Base interactions energy: -1168.003 where: short stacking energy: -539.265 Base-Backbone interact. energy: -1.212 local terms energy: -586.221724 where: bonds (distance) C4'-P energy: -120.099 bonds (distance) P-C4' energy: -137.534 flat angles C4'-P-C4' energy: -139.811 flat angles P-C4'-P energy: -73.747 tors. eta vs tors. theta energy: -115.030 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: 7, replica: 5 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1603.620206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.620206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.620206 (E_RNA) where: Base-Base interactions energy: -1019.108 where: short stacking energy: -465.309 Base-Backbone interact. energy: -3.936 local terms energy: -585.112386 where: bonds (distance) C4'-P energy: -119.274 bonds (distance) P-C4' energy: -116.241 flat angles C4'-P-C4' energy: -140.804 flat angles P-C4'-P energy: -94.411 tors. eta vs tors. theta energy: -114.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 4.537 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1396.384598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.384598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.384598 (E_RNA) where: Base-Base interactions energy: -896.619 where: short stacking energy: -409.876 Base-Backbone interact. energy: -1.563 local terms energy: -498.202883 where: bonds (distance) C4'-P energy: -113.370 bonds (distance) P-C4' energy: -134.245 flat angles C4'-P-C4' energy: -119.107 flat angles P-C4'-P energy: -62.386 tors. eta vs tors. theta energy: -69.095 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: 212 Temperature: 1.300000 Total energy: -1157.609394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.609394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.609394 (E_RNA) where: Base-Base interactions energy: -693.514 where: short stacking energy: -328.512 Base-Backbone interact. energy: -2.942 local terms energy: -461.153428 where: bonds (distance) C4'-P energy: -118.366 bonds (distance) P-C4' energy: -118.031 flat angles C4'-P-C4' energy: -120.032 flat angles P-C4'-P energy: -65.634 tors. eta vs tors. theta energy: -39.091 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: 1 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -699.795461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.795461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.795461 (E_RNA) where: Base-Base interactions energy: -319.276 where: short stacking energy: -217.729 Base-Backbone interact. energy: 1.052 local terms energy: -381.571963 where: bonds (distance) C4'-P energy: -94.945 bonds (distance) P-C4' energy: -131.532 flat angles C4'-P-C4' energy: -115.360 flat angles P-C4'-P energy: -56.715 tors. eta vs tors. theta energy: 16.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2552.640970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.640970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.640970 (E_RNA) where: Base-Base interactions energy: -1763.190 where: short stacking energy: -773.170 Base-Backbone interact. energy: -1.912 local terms energy: -787.538818 where: bonds (distance) C4'-P energy: -137.048 bonds (distance) P-C4' energy: -131.705 flat angles C4'-P-C4' energy: -179.017 flat angles P-C4'-P energy: -109.977 tors. eta vs tors. theta energy: -229.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2472.916770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.916770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.916770 (E_RNA) where: Base-Base interactions energy: -1675.574 where: short stacking energy: -736.528 Base-Backbone interact. energy: -2.125 local terms energy: -795.217261 where: bonds (distance) C4'-P energy: -146.442 bonds (distance) P-C4' energy: -145.359 flat angles C4'-P-C4' energy: -178.613 flat angles P-C4'-P energy: -103.925 tors. eta vs tors. theta energy: -220.879 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: 4 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2363.816300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.816300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.816300 (E_RNA) where: Base-Base interactions energy: -1658.853 where: short stacking energy: -677.831 Base-Backbone interact. energy: -2.071 local terms energy: -702.892360 where: bonds (distance) C4'-P energy: -124.918 bonds (distance) P-C4' energy: -154.375 flat angles C4'-P-C4' energy: -151.679 flat angles P-C4'-P energy: -91.474 tors. eta vs tors. theta energy: -180.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2264.453843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.453843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.453843 (E_RNA) where: Base-Base interactions energy: -1554.772 where: short stacking energy: -669.115 Base-Backbone interact. energy: -2.049 local terms energy: -707.632846 where: bonds (distance) C4'-P energy: -127.817 bonds (distance) P-C4' energy: -130.632 flat angles C4'-P-C4' energy: -139.660 flat angles P-C4'-P energy: -119.702 tors. eta vs tors. theta energy: -189.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1942.588714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.588714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.588714 (E_RNA) where: Base-Base interactions energy: -1303.497 where: short stacking energy: -549.552 Base-Backbone interact. energy: 0.085 local terms energy: -639.176004 where: bonds (distance) C4'-P energy: -134.995 bonds (distance) P-C4' energy: -134.616 flat angles C4'-P-C4' energy: -137.087 flat angles P-C4'-P energy: -77.070 tors. eta vs tors. theta energy: -155.408 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: 6, replica: 7 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1782.037153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.037153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.037153 (E_RNA) where: Base-Base interactions energy: -1146.444 where: short stacking energy: -531.534 Base-Backbone interact. energy: 1.037 local terms energy: -636.629736 where: bonds (distance) C4'-P energy: -129.333 bonds (distance) P-C4' energy: -138.850 flat angles C4'-P-C4' energy: -142.991 flat angles P-C4'-P energy: -100.606 tors. eta vs tors. theta energy: -124.850 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: 5 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1604.233131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.233131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.233131 (E_RNA) where: Base-Base interactions energy: -1008.451 where: short stacking energy: -466.966 Base-Backbone interact. energy: -2.002 local terms energy: -593.779880 where: bonds (distance) C4'-P energy: -127.837 bonds (distance) P-C4' energy: -127.850 flat angles C4'-P-C4' energy: -129.239 flat angles P-C4'-P energy: -90.517 tors. eta vs tors. theta energy: -118.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1415.945811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.945811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.945811 (E_RNA) where: Base-Base interactions energy: -888.990 where: short stacking energy: -418.697 Base-Backbone interact. energy: 0.908 local terms energy: -527.863510 where: bonds (distance) C4'-P energy: -121.240 bonds (distance) P-C4' energy: -123.053 flat angles C4'-P-C4' energy: -108.042 flat angles P-C4'-P energy: -77.497 tors. eta vs tors. theta energy: -98.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1243.975164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.975164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.975164 (E_RNA) where: Base-Base interactions energy: -763.307 where: short stacking energy: -355.892 Base-Backbone interact. energy: -1.053 local terms energy: -479.615410 where: bonds (distance) C4'-P energy: -96.422 bonds (distance) P-C4' energy: -128.506 flat angles C4'-P-C4' energy: -120.003 flat angles P-C4'-P energy: -70.467 tors. eta vs tors. theta energy: -64.217 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: 1 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -713.347424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.347424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.347424 (E_RNA) where: Base-Base interactions energy: -343.802 where: short stacking energy: -240.868 Base-Backbone interact. energy: 4.271 local terms energy: -373.816045 where: bonds (distance) C4'-P energy: -98.456 bonds (distance) P-C4' energy: -99.435 flat angles C4'-P-C4' energy: -128.754 flat angles P-C4'-P energy: -61.805 tors. eta vs tors. theta energy: 14.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2559.316717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.316717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.316717 (E_RNA) where: Base-Base interactions energy: -1747.213 where: short stacking energy: -741.894 Base-Backbone interact. energy: -1.552 local terms energy: -810.551320 where: bonds (distance) C4'-P energy: -148.637 bonds (distance) P-C4' energy: -153.665 flat angles C4'-P-C4' energy: -177.552 flat angles P-C4'-P energy: -105.412 tors. eta vs tors. theta energy: -225.285 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: 2, replica: 3 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2472.930846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.930846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.930846 (E_RNA) where: Base-Base interactions energy: -1692.450 where: short stacking energy: -759.607 Base-Backbone interact. energy: -0.985 local terms energy: -779.495628 where: bonds (distance) C4'-P energy: -135.682 bonds (distance) P-C4' energy: -149.601 flat angles C4'-P-C4' energy: -164.051 flat angles P-C4'-P energy: -104.220 tors. eta vs tors. theta energy: -225.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2314.899092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.899092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.899092 (E_RNA) where: Base-Base interactions energy: -1602.901 where: short stacking energy: -662.939 Base-Backbone interact. energy: 3.338 local terms energy: -715.336333 where: bonds (distance) C4'-P energy: -155.404 bonds (distance) P-C4' energy: -131.242 flat angles C4'-P-C4' energy: -155.130 flat angles P-C4'-P energy: -99.843 tors. eta vs tors. theta energy: -173.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2253.170532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.170532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.170532 (E_RNA) where: Base-Base interactions energy: -1571.915 where: short stacking energy: -627.124 Base-Backbone interact. energy: -2.636 local terms energy: -678.619297 where: bonds (distance) C4'-P energy: -141.880 bonds (distance) P-C4' energy: -137.837 flat angles C4'-P-C4' energy: -139.620 flat angles P-C4'-P energy: -87.440 tors. eta vs tors. theta energy: -171.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1978.451263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.451263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.451263 (E_RNA) where: Base-Base interactions energy: -1314.676 where: short stacking energy: -569.272 Base-Backbone interact. energy: -4.394 local terms energy: -659.380902 where: bonds (distance) C4'-P energy: -119.686 bonds (distance) P-C4' energy: -123.887 flat angles C4'-P-C4' energy: -158.151 flat angles P-C4'-P energy: -96.967 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: 7 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1762.535500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.535500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.535500 (E_RNA) where: Base-Base interactions energy: -1161.909 where: short stacking energy: -541.044 Base-Backbone interact. energy: -1.247 local terms energy: -599.379315 where: bonds (distance) C4'-P energy: -128.531 bonds (distance) P-C4' energy: -122.534 flat angles C4'-P-C4' energy: -140.400 flat angles P-C4'-P energy: -80.666 tors. eta vs tors. theta energy: -127.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1652.019794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.019794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.019794 (E_RNA) where: Base-Base interactions energy: -1063.399 where: short stacking energy: -485.984 Base-Backbone interact. energy: -0.082 local terms energy: -588.538938 where: bonds (distance) C4'-P energy: -112.900 bonds (distance) P-C4' energy: -139.102 flat angles C4'-P-C4' energy: -143.081 flat angles P-C4'-P energy: -86.099 tors. eta vs tors. theta energy: -107.357 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: 9 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1449.158210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.158210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.158210 (E_RNA) where: Base-Base interactions energy: -904.342 where: short stacking energy: -441.179 Base-Backbone interact. energy: 2.331 local terms energy: -547.146947 where: bonds (distance) C4'-P energy: -131.761 bonds (distance) P-C4' energy: -138.856 flat angles C4'-P-C4' energy: -127.719 flat angles P-C4'-P energy: -54.713 tors. eta vs tors. theta energy: -94.098 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: 10 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -1315.365085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.365085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.365085 (E_RNA) where: Base-Base interactions energy: -810.388 where: short stacking energy: -383.915 Base-Backbone interact. energy: 1.488 local terms energy: -506.465795 where: bonds (distance) C4'-P energy: -86.110 bonds (distance) P-C4' energy: -137.519 flat angles C4'-P-C4' energy: -115.698 flat angles P-C4'-P energy: -89.256 tors. eta vs tors. theta energy: -77.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -695.446658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.446658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.446658 (E_RNA) where: Base-Base interactions energy: -343.092 where: short stacking energy: -175.588 Base-Backbone interact. energy: 4.579 local terms energy: -356.933310 where: bonds (distance) C4'-P energy: -101.154 bonds (distance) P-C4' energy: -117.685 flat angles C4'-P-C4' energy: -92.029 flat angles P-C4'-P energy: -63.769 tors. eta vs tors. theta energy: 17.703 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: 2 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2546.292446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.292446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.292446 (E_RNA) where: Base-Base interactions energy: -1752.043 where: short stacking energy: -758.275 Base-Backbone interact. energy: -3.888 local terms energy: -790.361438 where: bonds (distance) C4'-P energy: -146.530 bonds (distance) P-C4' energy: -143.910 flat angles C4'-P-C4' energy: -161.034 flat angles P-C4'-P energy: -115.442 tors. eta vs tors. theta energy: -223.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2509.248848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.248848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.248848 (E_RNA) where: Base-Base interactions energy: -1706.467 where: short stacking energy: -745.809 Base-Backbone interact. energy: -1.494 local terms energy: -801.287667 where: bonds (distance) C4'-P energy: -147.293 bonds (distance) P-C4' energy: -148.526 flat angles C4'-P-C4' energy: -170.217 flat angles P-C4'-P energy: -105.377 tors. eta vs tors. theta energy: -229.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2347.654205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.654205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.654205 (E_RNA) where: Base-Base interactions energy: -1629.748 where: short stacking energy: -655.402 Base-Backbone interact. energy: -1.224 local terms energy: -716.682735 where: bonds (distance) C4'-P energy: -143.206 bonds (distance) P-C4' energy: -124.811 flat angles C4'-P-C4' energy: -169.481 flat angles P-C4'-P energy: -91.658 tors. eta vs tors. theta energy: -187.528 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: 8 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2289.914130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.914130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.914130 (E_RNA) where: Base-Base interactions energy: -1582.758 where: short stacking energy: -637.365 Base-Backbone interact. energy: -4.487 local terms energy: -702.669179 where: bonds (distance) C4'-P energy: -147.175 bonds (distance) P-C4' energy: -131.266 flat angles C4'-P-C4' energy: -152.213 flat angles P-C4'-P energy: -92.752 tors. eta vs tors. theta energy: -179.264 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: 6 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -2056.563353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.563353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.563353 (E_RNA) where: Base-Base interactions energy: -1371.502 where: short stacking energy: -601.987 Base-Backbone interact. energy: -5.324 local terms energy: -679.737399 where: bonds (distance) C4'-P energy: -123.072 bonds (distance) P-C4' energy: -143.208 flat angles C4'-P-C4' energy: -147.091 flat angles P-C4'-P energy: -94.547 tors. eta vs tors. theta energy: -171.820 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: 6, replica: 7 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1827.764996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.764996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.764996 (E_RNA) where: Base-Base interactions energy: -1186.969 where: short stacking energy: -538.765 Base-Backbone interact. energy: 3.978 local terms energy: -644.773733 where: bonds (distance) C4'-P energy: -135.842 bonds (distance) P-C4' energy: -131.800 flat angles C4'-P-C4' energy: -148.094 flat angles P-C4'-P energy: -88.224 tors. eta vs tors. theta energy: -140.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1545.513764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.513764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.513764 (E_RNA) where: Base-Base interactions energy: -958.131 where: short stacking energy: -472.137 Base-Backbone interact. energy: 3.406 local terms energy: -590.788764 where: bonds (distance) C4'-P energy: -106.418 bonds (distance) P-C4' energy: -134.259 flat angles C4'-P-C4' energy: -152.046 flat angles P-C4'-P energy: -87.668 tors. eta vs tors. theta energy: -110.398 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: 9 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1377.460412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.460412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.460412 (E_RNA) where: Base-Base interactions energy: -852.326 where: short stacking energy: -383.155 Base-Backbone interact. energy: -1.135 local terms energy: -523.999822 where: bonds (distance) C4'-P energy: -111.101 bonds (distance) P-C4' energy: -147.428 flat angles C4'-P-C4' energy: -120.431 flat angles P-C4'-P energy: -81.503 tors. eta vs tors. theta energy: -63.537 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: 215 Temperature: 1.300000 Total energy: -1254.686125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.686125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.686125 (E_RNA) where: Base-Base interactions energy: -768.424 where: short stacking energy: -361.844 Base-Backbone interact. energy: -0.135 local terms energy: -486.126933 where: bonds (distance) C4'-P energy: -112.399 bonds (distance) P-C4' energy: -115.156 flat angles C4'-P-C4' energy: -119.397 flat angles P-C4'-P energy: -77.493 tors. eta vs tors. theta energy: -61.683 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: 1 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -676.030399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.030399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.030399 (E_RNA) where: Base-Base interactions energy: -327.923 where: short stacking energy: -192.243 Base-Backbone interact. energy: -1.526 local terms energy: -346.581237 where: bonds (distance) C4'-P energy: -86.046 bonds (distance) P-C4' energy: -117.127 flat angles C4'-P-C4' energy: -101.357 flat angles P-C4'-P energy: -66.057 tors. eta vs tors. theta energy: 24.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2567.243016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.243016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.243016 (E_RNA) where: Base-Base interactions energy: -1780.110 where: short stacking energy: -782.343 Base-Backbone interact. energy: -4.124 local terms energy: -783.009059 where: bonds (distance) C4'-P energy: -159.500 bonds (distance) P-C4' energy: -154.392 flat angles C4'-P-C4' energy: -157.117 flat angles P-C4'-P energy: -97.457 tors. eta vs tors. theta energy: -214.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2490.699135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.699135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.699135 (E_RNA) where: Base-Base interactions energy: -1695.619 where: short stacking energy: -745.205 Base-Backbone interact. energy: -2.128 local terms energy: -792.952220 where: bonds (distance) C4'-P energy: -138.399 bonds (distance) P-C4' energy: -153.759 flat angles C4'-P-C4' energy: -160.085 flat angles P-C4'-P energy: -118.631 tors. eta vs tors. theta energy: -222.079 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: 216 Temperature: 1.000000 Total energy: -2330.133857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.133857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.133857 (E_RNA) where: Base-Base interactions energy: -1631.262 where: short stacking energy: -654.277 Base-Backbone interact. energy: -3.375 local terms energy: -695.496773 where: bonds (distance) C4'-P energy: -137.590 bonds (distance) P-C4' energy: -133.164 flat angles C4'-P-C4' energy: -150.252 flat angles P-C4'-P energy: -99.975 tors. eta vs tors. theta energy: -174.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2266.609130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.609130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.609130 (E_RNA) where: Base-Base interactions energy: -1565.665 where: short stacking energy: -675.795 Base-Backbone interact. energy: -0.662 local terms energy: -700.282921 where: bonds (distance) C4'-P energy: -122.227 bonds (distance) P-C4' energy: -139.609 flat angles C4'-P-C4' energy: -147.169 flat angles P-C4'-P energy: -109.930 tors. eta vs tors. theta energy: -181.349 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: 5, replica: 6 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -2008.770636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.770636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.770636 (E_RNA) where: Base-Base interactions energy: -1368.029 where: short stacking energy: -597.869 Base-Backbone interact. energy: 3.486 local terms energy: -644.228218 where: bonds (distance) C4'-P energy: -137.202 bonds (distance) P-C4' energy: -130.275 flat angles C4'-P-C4' energy: -123.696 flat angles P-C4'-P energy: -96.390 tors. eta vs tors. theta energy: -156.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1756.050866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.050866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.050866 (E_RNA) where: Base-Base interactions energy: -1168.483 where: short stacking energy: -529.602 Base-Backbone interact. energy: -1.030 local terms energy: -586.538251 where: bonds (distance) C4'-P energy: -108.377 bonds (distance) P-C4' energy: -140.397 flat angles C4'-P-C4' energy: -122.981 flat angles P-C4'-P energy: -80.244 tors. eta vs tors. theta energy: -134.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1553.761250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.761250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.761250 (E_RNA) where: Base-Base interactions energy: -963.974 where: short stacking energy: -446.953 Base-Backbone interact. energy: 2.928 local terms energy: -592.715188 where: bonds (distance) C4'-P energy: -131.353 bonds (distance) P-C4' energy: -110.192 flat angles C4'-P-C4' energy: -133.861 flat angles P-C4'-P energy: -120.920 tors. eta vs tors. theta energy: -96.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1401.715048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.715048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.715048 (E_RNA) where: Base-Base interactions energy: -889.235 where: short stacking energy: -386.207 Base-Backbone interact. energy: -0.480 local terms energy: -512.000634 where: bonds (distance) C4'-P energy: -119.244 bonds (distance) P-C4' energy: -109.894 flat angles C4'-P-C4' energy: -130.926 flat angles P-C4'-P energy: -76.527 tors. eta vs tors. theta energy: -75.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1204.205031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.205031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.205031 (E_RNA) where: Base-Base interactions energy: -710.189 where: short stacking energy: -337.668 Base-Backbone interact. energy: 0.149 local terms energy: -494.164980 where: bonds (distance) C4'-P energy: -110.390 bonds (distance) P-C4' energy: -118.831 flat angles C4'-P-C4' energy: -107.068 flat angles P-C4'-P energy: -93.181 tors. eta vs tors. theta energy: -64.696 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: 1 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -742.899523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.899523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.899523 (E_RNA) where: Base-Base interactions energy: -348.131 where: short stacking energy: -192.807 Base-Backbone interact. energy: -2.827 local terms energy: -391.941994 where: bonds (distance) C4'-P energy: -108.210 bonds (distance) P-C4' energy: -115.200 flat angles C4'-P-C4' energy: -105.857 flat angles P-C4'-P energy: -66.679 tors. eta vs tors. theta energy: 4.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -2567.190866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.190866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.190866 (E_RNA) where: Base-Base interactions energy: -1759.749 where: short stacking energy: -753.267 Base-Backbone interact. energy: -3.788 local terms energy: -803.653230 where: bonds (distance) C4'-P energy: -144.446 bonds (distance) P-C4' energy: -145.121 flat angles C4'-P-C4' energy: -172.143 flat angles P-C4'-P energy: -117.365 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: 2, replica: 3 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2499.902850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.902850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.902850 (E_RNA) where: Base-Base interactions energy: -1704.445 where: short stacking energy: -722.747 Base-Backbone interact. energy: -1.332 local terms energy: -794.125353 where: bonds (distance) C4'-P energy: -138.461 bonds (distance) P-C4' energy: -148.326 flat angles C4'-P-C4' energy: -168.025 flat angles P-C4'-P energy: -111.738 tors. eta vs tors. theta energy: -227.575 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: 217 Temperature: 1.000000 Total energy: -2340.769706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.769706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.769706 (E_RNA) where: Base-Base interactions energy: -1595.236 where: short stacking energy: -692.574 Base-Backbone interact. energy: -1.387 local terms energy: -744.687158 where: bonds (distance) C4'-P energy: -134.103 bonds (distance) P-C4' energy: -148.939 flat angles C4'-P-C4' energy: -168.706 flat angles P-C4'-P energy: -104.521 tors. eta vs tors. theta energy: -188.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.541 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2267.201254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.201254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.201254 (E_RNA) where: Base-Base interactions energy: -1535.350 where: short stacking energy: -653.800 Base-Backbone interact. energy: -3.535 local terms energy: -728.315414 where: bonds (distance) C4'-P energy: -146.879 bonds (distance) P-C4' energy: -138.073 flat angles C4'-P-C4' energy: -161.067 flat angles P-C4'-P energy: -102.061 tors. eta vs tors. theta energy: -180.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2001.194324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.194324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.194324 (E_RNA) where: Base-Base interactions energy: -1332.556 where: short stacking energy: -583.990 Base-Backbone interact. energy: -2.350 local terms energy: -666.289118 where: bonds (distance) C4'-P energy: -136.944 bonds (distance) P-C4' energy: -130.131 flat angles C4'-P-C4' energy: -131.158 flat angles P-C4'-P energy: -100.739 tors. eta vs tors. theta energy: -167.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1763.595525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.595525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.595525 (E_RNA) where: Base-Base interactions energy: -1114.106 where: short stacking energy: -531.783 Base-Backbone interact. energy: 0.553 local terms energy: -650.042431 where: bonds (distance) C4'-P energy: -133.212 bonds (distance) P-C4' energy: -149.842 flat angles C4'-P-C4' energy: -147.712 flat angles P-C4'-P energy: -97.661 tors. eta vs tors. theta energy: -121.616 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: 5 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1606.455114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.455114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.455114 (E_RNA) where: Base-Base interactions energy: -1020.725 where: short stacking energy: -478.373 Base-Backbone interact. energy: 2.540 local terms energy: -588.269595 where: bonds (distance) C4'-P energy: -127.838 bonds (distance) P-C4' energy: -135.819 flat angles C4'-P-C4' energy: -137.693 flat angles P-C4'-P energy: -74.327 tors. eta vs tors. theta energy: -112.593 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: 217 Temperature: 1.250000 Total energy: -1394.339160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.339160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.339160 (E_RNA) where: Base-Base interactions energy: -871.555 where: short stacking energy: -398.245 Base-Backbone interact. energy: -0.620 local terms energy: -522.163944 where: bonds (distance) C4'-P energy: -128.816 bonds (distance) P-C4' energy: -120.596 flat angles C4'-P-C4' energy: -108.023 flat angles P-C4'-P energy: -85.475 tors. eta vs tors. theta energy: -79.255 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: 217 Temperature: 1.300000 Total energy: -1178.146258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.146258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.146258 (E_RNA) where: Base-Base interactions energy: -689.206 where: short stacking energy: -332.432 Base-Backbone interact. energy: 2.831 local terms energy: -491.771028 where: bonds (distance) C4'-P energy: -104.798 bonds (distance) P-C4' energy: -138.709 flat angles C4'-P-C4' energy: -118.399 flat angles P-C4'-P energy: -69.705 tors. eta vs tors. theta energy: -60.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -708.186147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.186147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.186147 (E_RNA) where: Base-Base interactions energy: -321.915 where: short stacking energy: -192.309 Base-Backbone interact. energy: -0.042 local terms energy: -386.229797 where: bonds (distance) C4'-P energy: -106.996 bonds (distance) P-C4' energy: -129.983 flat angles C4'-P-C4' energy: -107.403 flat angles P-C4'-P energy: -67.679 tors. eta vs tors. theta energy: 25.831 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: 2 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2507.989608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.989608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.989608 (E_RNA) where: Base-Base interactions energy: -1700.008 where: short stacking energy: -721.721 Base-Backbone interact. energy: 0.594 local terms energy: -808.575828 where: bonds (distance) C4'-P energy: -154.742 bonds (distance) P-C4' energy: -164.488 flat angles C4'-P-C4' energy: -174.485 flat angles P-C4'-P energy: -105.563 tors. eta vs tors. theta energy: -209.297 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: 3 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2508.278529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.278529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.278529 (E_RNA) where: Base-Base interactions energy: -1698.428 where: short stacking energy: -741.234 Base-Backbone interact. energy: -4.668 local terms energy: -805.914599 where: bonds (distance) C4'-P energy: -145.465 bonds (distance) P-C4' energy: -148.539 flat angles C4'-P-C4' energy: -175.728 flat angles P-C4'-P energy: -115.444 tors. eta vs tors. theta energy: -220.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.732 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2354.575039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.575039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.575039 (E_RNA) where: Base-Base interactions energy: -1625.810 where: short stacking energy: -684.573 Base-Backbone interact. energy: -0.481 local terms energy: -728.283504 where: bonds (distance) C4'-P energy: -145.919 bonds (distance) P-C4' energy: -140.605 flat angles C4'-P-C4' energy: -156.534 flat angles P-C4'-P energy: -101.633 tors. eta vs tors. theta energy: -183.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2264.632468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.632468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.632468 (E_RNA) where: Base-Base interactions energy: -1556.752 where: short stacking energy: -650.367 Base-Backbone interact. energy: -5.481 local terms energy: -702.398813 where: bonds (distance) C4'-P energy: -126.074 bonds (distance) P-C4' energy: -138.343 flat angles C4'-P-C4' energy: -161.629 flat angles P-C4'-P energy: -99.106 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: 5, replica: 6 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1993.690564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.690564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.690564 (E_RNA) where: Base-Base interactions energy: -1346.080 where: short stacking energy: -579.240 Base-Backbone interact. energy: 0.009 local terms energy: -647.619264 where: bonds (distance) C4'-P energy: -120.336 bonds (distance) P-C4' energy: -125.396 flat angles C4'-P-C4' energy: -148.172 flat angles P-C4'-P energy: -94.683 tors. eta vs tors. theta energy: -159.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1765.421446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.421446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.421446 (E_RNA) where: Base-Base interactions energy: -1117.034 where: short stacking energy: -526.347 Base-Backbone interact. energy: 1.396 local terms energy: -649.783835 where: bonds (distance) C4'-P energy: -132.619 bonds (distance) P-C4' energy: -149.479 flat angles C4'-P-C4' energy: -136.679 flat angles P-C4'-P energy: -85.251 tors. eta vs tors. theta energy: -145.756 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: 7, replica: 5 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1604.605582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.605582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.605582 (E_RNA) where: Base-Base interactions energy: -1061.099 where: short stacking energy: -478.868 Base-Backbone interact. energy: -0.548 local terms energy: -542.957995 where: bonds (distance) C4'-P energy: -101.659 bonds (distance) P-C4' energy: -135.380 flat angles C4'-P-C4' energy: -122.858 flat angles P-C4'-P energy: -80.495 tors. eta vs tors. theta energy: -102.566 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: 9 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1404.162223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.162223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.162223 (E_RNA) where: Base-Base interactions energy: -892.091 where: short stacking energy: -420.286 Base-Backbone interact. energy: -0.645 local terms energy: -511.425593 where: bonds (distance) C4'-P energy: -114.038 bonds (distance) P-C4' energy: -118.590 flat angles C4'-P-C4' energy: -122.441 flat angles P-C4'-P energy: -77.820 tors. eta vs tors. theta energy: -78.537 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: 218 Temperature: 1.300000 Total energy: -1195.876542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.876542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.876542 (E_RNA) where: Base-Base interactions energy: -732.794 where: short stacking energy: -348.301 Base-Backbone interact. energy: 1.491 local terms energy: -464.573021 where: bonds (distance) C4'-P energy: -113.029 bonds (distance) P-C4' energy: -136.721 flat angles C4'-P-C4' energy: -104.797 flat angles P-C4'-P energy: -55.689 tors. eta vs tors. theta energy: -54.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -685.244438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.244438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.244438 (E_RNA) where: Base-Base interactions energy: -301.040 where: short stacking energy: -196.494 Base-Backbone interact. energy: -0.571 local terms energy: -383.633515 where: bonds (distance) C4'-P energy: -128.277 bonds (distance) P-C4' energy: -113.319 flat angles C4'-P-C4' energy: -94.302 flat angles P-C4'-P energy: -56.985 tors. eta vs tors. theta energy: 9.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2511.046768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.046768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.046768 (E_RNA) where: Base-Base interactions energy: -1716.826 where: short stacking energy: -727.296 Base-Backbone interact. energy: -1.687 local terms energy: -792.533047 where: bonds (distance) C4'-P energy: -146.449 bonds (distance) P-C4' energy: -150.049 flat angles C4'-P-C4' energy: -168.903 flat angles P-C4'-P energy: -114.586 tors. eta vs tors. theta energy: -212.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2482.669553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.669553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.669553 (E_RNA) where: Base-Base interactions energy: -1705.420 where: short stacking energy: -736.881 Base-Backbone interact. energy: -2.267 local terms energy: -774.982529 where: bonds (distance) C4'-P energy: -141.308 bonds (distance) P-C4' energy: -144.374 flat angles C4'-P-C4' energy: -172.926 flat angles P-C4'-P energy: -103.367 tors. eta vs tors. theta energy: -213.007 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: 219 Temperature: 1.000000 Total energy: -2348.439291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.439291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.439291 (E_RNA) where: Base-Base interactions energy: -1609.990 where: short stacking energy: -654.072 Base-Backbone interact. energy: -3.330 local terms energy: -735.837221 where: bonds (distance) C4'-P energy: -156.023 bonds (distance) P-C4' energy: -144.565 flat angles C4'-P-C4' energy: -150.275 flat angles P-C4'-P energy: -96.812 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: 0.718 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2287.344121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.344121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.344121 (E_RNA) where: Base-Base interactions energy: -1575.347 where: short stacking energy: -665.344 Base-Backbone interact. energy: -4.288 local terms energy: -707.709497 where: bonds (distance) C4'-P energy: -130.432 bonds (distance) P-C4' energy: -134.546 flat angles C4'-P-C4' energy: -163.769 flat angles P-C4'-P energy: -93.879 tors. eta vs tors. theta energy: -185.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2017.548587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.548587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.548587 (E_RNA) where: Base-Base interactions energy: -1373.400 where: short stacking energy: -562.559 Base-Backbone interact. energy: -3.480 local terms energy: -640.667886 where: bonds (distance) C4'-P energy: -127.676 bonds (distance) P-C4' energy: -140.790 flat angles C4'-P-C4' energy: -140.075 flat angles P-C4'-P energy: -88.669 tors. eta vs tors. theta energy: -143.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1802.464683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.464683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.464683 (E_RNA) where: Base-Base interactions energy: -1174.375 where: short stacking energy: -559.694 Base-Backbone interact. energy: 2.219 local terms energy: -630.308399 where: bonds (distance) C4'-P energy: -115.544 bonds (distance) P-C4' energy: -144.056 flat angles C4'-P-C4' energy: -147.494 flat angles P-C4'-P energy: -74.773 tors. eta vs tors. theta energy: -148.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1589.479770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.479770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.479770 (E_RNA) where: Base-Base interactions energy: -1000.675 where: short stacking energy: -474.121 Base-Backbone interact. energy: 2.406 local terms energy: -591.210887 where: bonds (distance) C4'-P energy: -131.473 bonds (distance) P-C4' energy: -119.670 flat angles C4'-P-C4' energy: -138.887 flat angles P-C4'-P energy: -79.455 tors. eta vs tors. theta energy: -121.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1424.800267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.800267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.800267 (E_RNA) where: Base-Base interactions energy: -901.208 where: short stacking energy: -420.759 Base-Backbone interact. energy: 4.296 local terms energy: -527.888067 where: bonds (distance) C4'-P energy: -91.337 bonds (distance) P-C4' energy: -139.852 flat angles C4'-P-C4' energy: -118.579 flat angles P-C4'-P energy: -88.654 tors. eta vs tors. theta energy: -89.466 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: 9, replica: 10 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -1147.807370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.807370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.807370 (E_RNA) where: Base-Base interactions energy: -675.820 where: short stacking energy: -314.266 Base-Backbone interact. energy: 1.738 local terms energy: -473.725423 where: bonds (distance) C4'-P energy: -123.065 bonds (distance) P-C4' energy: -123.244 flat angles C4'-P-C4' energy: -99.815 flat angles P-C4'-P energy: -83.378 tors. eta vs tors. theta energy: -44.223 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: 1 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -684.932896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.932896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.932896 (E_RNA) where: Base-Base interactions energy: -302.885 where: short stacking energy: -204.561 Base-Backbone interact. energy: 7.339 local terms energy: -389.386898 where: bonds (distance) C4'-P energy: -112.690 bonds (distance) P-C4' energy: -108.648 flat angles C4'-P-C4' energy: -81.343 flat angles P-C4'-P energy: -77.440 tors. eta vs tors. theta energy: -9.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2531.517602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.517602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.517602 (E_RNA) where: Base-Base interactions energy: -1718.249 where: short stacking energy: -747.051 Base-Backbone interact. energy: -0.241 local terms energy: -813.026874 where: bonds (distance) C4'-P energy: -155.996 bonds (distance) P-C4' energy: -154.002 flat angles C4'-P-C4' energy: -167.572 flat angles P-C4'-P energy: -110.835 tors. eta vs tors. theta energy: -224.621 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: 3 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2473.895593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.895593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.895593 (E_RNA) where: Base-Base interactions energy: -1682.503 where: short stacking energy: -733.195 Base-Backbone interact. energy: -3.188 local terms energy: -788.204289 where: bonds (distance) C4'-P energy: -143.050 bonds (distance) P-C4' energy: -142.516 flat angles C4'-P-C4' energy: -173.554 flat angles P-C4'-P energy: -103.375 tors. eta vs tors. theta energy: -225.710 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: 4 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2344.897626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.897626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.897626 (E_RNA) where: Base-Base interactions energy: -1627.249 where: short stacking energy: -658.930 Base-Backbone interact. energy: 2.455 local terms energy: -720.103473 where: bonds (distance) C4'-P energy: -133.986 bonds (distance) P-C4' energy: -147.074 flat angles C4'-P-C4' energy: -153.696 flat angles P-C4'-P energy: -101.907 tors. eta vs tors. theta energy: -183.441 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: 8 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2231.486546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.486546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.486546 (E_RNA) where: Base-Base interactions energy: -1545.278 where: short stacking energy: -636.423 Base-Backbone interact. energy: 1.241 local terms energy: -687.450082 where: bonds (distance) C4'-P energy: -142.473 bonds (distance) P-C4' energy: -139.408 flat angles C4'-P-C4' energy: -152.487 flat angles P-C4'-P energy: -96.597 tors. eta vs tors. theta energy: -156.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -2038.370825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.370825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.370825 (E_RNA) where: Base-Base interactions energy: -1409.420 where: short stacking energy: -600.334 Base-Backbone interact. energy: -4.077 local terms energy: -624.874136 where: bonds (distance) C4'-P energy: -115.268 bonds (distance) P-C4' energy: -123.069 flat angles C4'-P-C4' energy: -150.841 flat angles P-C4'-P energy: -77.572 tors. eta vs tors. theta energy: -158.124 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: 7 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1777.560382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.560382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.560382 (E_RNA) where: Base-Base interactions energy: -1175.969 where: short stacking energy: -542.112 Base-Backbone interact. energy: -1.992 local terms energy: -599.599738 where: bonds (distance) C4'-P energy: -107.199 bonds (distance) P-C4' energy: -113.005 flat angles C4'-P-C4' energy: -151.529 flat angles P-C4'-P energy: -93.420 tors. eta vs tors. theta energy: -134.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1569.540798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.540798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.540798 (E_RNA) where: Base-Base interactions energy: -1005.836 where: short stacking energy: -428.547 Base-Backbone interact. energy: -0.787 local terms energy: -562.917683 where: bonds (distance) C4'-P energy: -123.635 bonds (distance) P-C4' energy: -110.951 flat angles C4'-P-C4' energy: -144.487 flat angles P-C4'-P energy: -90.631 tors. eta vs tors. theta energy: -93.213 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: 9 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1430.836155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.836155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.836155 (E_RNA) where: Base-Base interactions energy: -917.879 where: short stacking energy: -429.275 Base-Backbone interact. energy: 0.462 local terms energy: -513.419822 where: bonds (distance) C4'-P energy: -138.843 bonds (distance) P-C4' energy: -114.167 flat angles C4'-P-C4' energy: -115.142 flat angles P-C4'-P energy: -69.819 tors. eta vs tors. theta energy: -75.448 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: 10 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -1202.168610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.168610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.168610 (E_RNA) where: Base-Base interactions energy: -761.713 where: short stacking energy: -364.379 Base-Backbone interact. energy: 14.192 local terms energy: -454.647547 where: bonds (distance) C4'-P energy: -132.892 bonds (distance) P-C4' energy: -127.620 flat angles C4'-P-C4' energy: -98.198 flat angles P-C4'-P energy: -43.086 tors. eta vs tors. theta energy: -52.852 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: 1 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -717.307683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.307683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.307683 (E_RNA) where: Base-Base interactions energy: -331.010 where: short stacking energy: -187.729 Base-Backbone interact. energy: -2.150 local terms energy: -384.147610 where: bonds (distance) C4'-P energy: -123.603 bonds (distance) P-C4' energy: -110.542 flat angles C4'-P-C4' energy: -97.697 flat angles P-C4'-P energy: -73.648 tors. eta vs tors. theta energy: 21.343 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: 2 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -2584.638548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.638548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.638548 (E_RNA) where: Base-Base interactions energy: -1769.226 where: short stacking energy: -775.035 Base-Backbone interact. energy: -3.070 local terms energy: -812.342392 where: bonds (distance) C4'-P energy: -140.424 bonds (distance) P-C4' energy: -158.741 flat angles C4'-P-C4' energy: -173.387 flat angles P-C4'-P energy: -106.094 tors. eta vs tors. theta energy: -233.696 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: 3 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2469.050679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.050679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.050679 (E_RNA) where: Base-Base interactions energy: -1683.293 where: short stacking energy: -701.953 Base-Backbone interact. energy: -0.577 local terms energy: -785.450114 where: bonds (distance) C4'-P energy: -151.972 bonds (distance) P-C4' energy: -143.175 flat angles C4'-P-C4' energy: -174.494 flat angles P-C4'-P energy: -104.251 tors. eta vs tors. theta energy: -211.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.270 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2357.539522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.539522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.539522 (E_RNA) where: Base-Base interactions energy: -1639.771 where: short stacking energy: -705.396 Base-Backbone interact. energy: -3.657 local terms energy: -714.111858 where: bonds (distance) C4'-P energy: -129.645 bonds (distance) P-C4' energy: -147.839 flat angles C4'-P-C4' energy: -141.280 flat angles P-C4'-P energy: -111.808 tors. eta vs tors. theta energy: -183.540 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: 8 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2256.658002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.658002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.658002 (E_RNA) where: Base-Base interactions energy: -1561.397 where: short stacking energy: -642.906 Base-Backbone interact. energy: -1.985 local terms energy: -693.275998 where: bonds (distance) C4'-P energy: -130.029 bonds (distance) P-C4' energy: -137.997 flat angles C4'-P-C4' energy: -156.724 flat angles P-C4'-P energy: -97.913 tors. eta vs tors. theta energy: -170.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -2050.059659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.059659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.059659 (E_RNA) where: Base-Base interactions energy: -1437.526 where: short stacking energy: -579.827 Base-Backbone interact. energy: -0.509 local terms energy: -612.025094 where: bonds (distance) C4'-P energy: -120.667 bonds (distance) P-C4' energy: -125.951 flat angles C4'-P-C4' energy: -136.211 flat angles P-C4'-P energy: -88.615 tors. eta vs tors. theta energy: -140.582 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: 6, replica: 7 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1764.933915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.933915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.933915 (E_RNA) where: Base-Base interactions energy: -1151.273 where: short stacking energy: -538.373 Base-Backbone interact. energy: 1.370 local terms energy: -615.031245 where: bonds (distance) C4'-P energy: -108.346 bonds (distance) P-C4' energy: -133.574 flat angles C4'-P-C4' energy: -150.468 flat angles P-C4'-P energy: -86.199 tors. eta vs tors. theta energy: -136.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1575.920918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.920918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.920918 (E_RNA) where: Base-Base interactions energy: -1028.850 where: short stacking energy: -455.673 Base-Backbone interact. energy: 5.000 local terms energy: -552.071353 where: bonds (distance) C4'-P energy: -134.553 bonds (distance) P-C4' energy: -123.852 flat angles C4'-P-C4' energy: -104.171 flat angles P-C4'-P energy: -85.440 tors. eta vs tors. theta energy: -104.054 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: 9 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1421.859348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.859348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.859348 (E_RNA) where: Base-Base interactions energy: -934.276 where: short stacking energy: -399.620 Base-Backbone interact. energy: -1.951 local terms energy: -485.632195 where: bonds (distance) C4'-P energy: -102.136 bonds (distance) P-C4' energy: -119.898 flat angles C4'-P-C4' energy: -124.436 flat angles P-C4'-P energy: -74.716 tors. eta vs tors. theta energy: -64.446 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: 9, replica: 10 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -1155.723391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.723391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.723391 (E_RNA) where: Base-Base interactions energy: -708.541 where: short stacking energy: -343.998 Base-Backbone interact. energy: -0.336 local terms energy: -446.845893 where: bonds (distance) C4'-P energy: -116.541 bonds (distance) P-C4' energy: -114.935 flat angles C4'-P-C4' energy: -108.268 flat angles P-C4'-P energy: -70.733 tors. eta vs tors. theta energy: -36.369 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: 10, replica: 1 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -714.422643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.422643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.422643 (E_RNA) where: Base-Base interactions energy: -323.054 where: short stacking energy: -197.648 Base-Backbone interact. energy: -3.527 local terms energy: -387.841419 where: bonds (distance) C4'-P energy: -131.640 bonds (distance) P-C4' energy: -132.863 flat angles C4'-P-C4' energy: -89.794 flat angles P-C4'-P energy: -42.721 tors. eta vs tors. theta energy: 9.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2568.502771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.502771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.502771 (E_RNA) where: Base-Base interactions energy: -1780.577 where: short stacking energy: -778.483 Base-Backbone interact. energy: -3.111 local terms energy: -784.815072 where: bonds (distance) C4'-P energy: -147.707 bonds (distance) P-C4' energy: -148.913 flat angles C4'-P-C4' energy: -165.288 flat angles P-C4'-P energy: -97.358 tors. eta vs tors. theta energy: -225.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2445.332180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.332180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.332180 (E_RNA) where: Base-Base interactions energy: -1674.383 where: short stacking energy: -748.245 Base-Backbone interact. energy: -1.897 local terms energy: -769.051731 where: bonds (distance) C4'-P energy: -143.542 bonds (distance) P-C4' energy: -134.197 flat angles C4'-P-C4' energy: -156.867 flat angles P-C4'-P energy: -99.433 tors. eta vs tors. theta energy: -235.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2359.065969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.065969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.065969 (E_RNA) where: Base-Base interactions energy: -1635.903 where: short stacking energy: -696.515 Base-Backbone interact. energy: -0.843 local terms energy: -722.319688 where: bonds (distance) C4'-P energy: -119.906 bonds (distance) P-C4' energy: -156.175 flat angles C4'-P-C4' energy: -159.708 flat angles P-C4'-P energy: -106.395 tors. eta vs tors. theta energy: -180.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2231.653292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.653292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.653292 (E_RNA) where: Base-Base interactions energy: -1503.732 where: short stacking energy: -641.184 Base-Backbone interact. energy: -2.951 local terms energy: -724.969556 where: bonds (distance) C4'-P energy: -125.025 bonds (distance) P-C4' energy: -152.122 flat angles C4'-P-C4' energy: -169.328 flat angles P-C4'-P energy: -96.090 tors. eta vs tors. theta energy: -182.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -2042.744259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.744259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.744259 (E_RNA) where: Base-Base interactions energy: -1388.879 where: short stacking energy: -586.921 Base-Backbone interact. energy: 2.845 local terms energy: -656.710762 where: bonds (distance) C4'-P energy: -128.137 bonds (distance) P-C4' energy: -144.240 flat angles C4'-P-C4' energy: -151.979 flat angles P-C4'-P energy: -82.530 tors. eta vs tors. theta energy: -149.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1731.276294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.276294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.276294 (E_RNA) where: Base-Base interactions energy: -1100.959 where: short stacking energy: -512.879 Base-Backbone interact. energy: -1.740 local terms energy: -628.577128 where: bonds (distance) C4'-P energy: -133.199 bonds (distance) P-C4' energy: -133.974 flat angles C4'-P-C4' energy: -135.534 flat angles P-C4'-P energy: -103.047 tors. eta vs tors. theta energy: -122.822 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: 7, replica: 5 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1665.620318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.620318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.620318 (E_RNA) where: Base-Base interactions energy: -1093.346 where: short stacking energy: -496.555 Base-Backbone interact. energy: -1.833 local terms energy: -570.440791 where: bonds (distance) C4'-P energy: -125.815 bonds (distance) P-C4' energy: -125.348 flat angles C4'-P-C4' energy: -144.490 flat angles P-C4'-P energy: -75.313 tors. eta vs tors. theta energy: -99.476 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: 9 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1413.548120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.548120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.548120 (E_RNA) where: Base-Base interactions energy: -862.067 where: short stacking energy: -396.871 Base-Backbone interact. energy: -0.541 local terms energy: -550.939856 where: bonds (distance) C4'-P energy: -134.140 bonds (distance) P-C4' energy: -129.455 flat angles C4'-P-C4' energy: -131.498 flat angles P-C4'-P energy: -77.653 tors. eta vs tors. theta energy: -78.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1163.495540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.495540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.495540 (E_RNA) where: Base-Base interactions energy: -652.793 where: short stacking energy: -296.584 Base-Backbone interact. energy: -0.232 local terms energy: -510.470749 where: bonds (distance) C4'-P energy: -117.178 bonds (distance) P-C4' energy: -144.167 flat angles C4'-P-C4' energy: -117.915 flat angles P-C4'-P energy: -89.121 tors. eta vs tors. theta energy: -42.090 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: 1 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -734.185847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.185847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.185847 (E_RNA) where: Base-Base interactions energy: -345.515 where: short stacking energy: -205.808 Base-Backbone interact. energy: 0.422 local terms energy: -389.092686 where: bonds (distance) C4'-P energy: -102.368 bonds (distance) P-C4' energy: -120.937 flat angles C4'-P-C4' energy: -119.284 flat angles P-C4'-P energy: -52.794 tors. eta vs tors. theta energy: 6.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2568.523306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.523306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.523306 (E_RNA) where: Base-Base interactions energy: -1750.575 where: short stacking energy: -758.643 Base-Backbone interact. energy: -4.085 local terms energy: -813.862932 where: bonds (distance) C4'-P energy: -147.509 bonds (distance) P-C4' energy: -147.308 flat angles C4'-P-C4' energy: -173.609 flat angles P-C4'-P energy: -112.959 tors. eta vs tors. theta energy: -232.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2477.432652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.432652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.432652 (E_RNA) where: Base-Base interactions energy: -1683.413 where: short stacking energy: -754.751 Base-Backbone interact. energy: -1.788 local terms energy: -792.231677 where: bonds (distance) C4'-P energy: -141.793 bonds (distance) P-C4' energy: -144.651 flat angles C4'-P-C4' energy: -175.281 flat angles P-C4'-P energy: -106.167 tors. eta vs tors. theta energy: -224.339 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: 223 Temperature: 1.000000 Total energy: -2341.935926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.935926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.935926 (E_RNA) where: Base-Base interactions energy: -1597.479 where: short stacking energy: -641.902 Base-Backbone interact. energy: -0.535 local terms energy: -743.922100 where: bonds (distance) C4'-P energy: -152.822 bonds (distance) P-C4' energy: -149.240 flat angles C4'-P-C4' energy: -174.858 flat angles P-C4'-P energy: -95.332 tors. eta vs tors. theta energy: -171.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2283.571493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.571493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.571493 (E_RNA) where: Base-Base interactions energy: -1563.733 where: short stacking energy: -665.354 Base-Backbone interact. energy: -3.832 local terms energy: -716.006333 where: bonds (distance) C4'-P energy: -127.198 bonds (distance) P-C4' energy: -157.299 flat angles C4'-P-C4' energy: -145.867 flat angles P-C4'-P energy: -105.243 tors. eta vs tors. theta energy: -180.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2031.540819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.540819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.540819 (E_RNA) where: Base-Base interactions energy: -1358.519 where: short stacking energy: -580.368 Base-Backbone interact. energy: 0.171 local terms energy: -673.192741 where: bonds (distance) C4'-P energy: -131.278 bonds (distance) P-C4' energy: -136.171 flat angles C4'-P-C4' energy: -162.835 flat angles P-C4'-P energy: -89.845 tors. eta vs tors. theta energy: -153.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1669.935446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.935446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.935446 (E_RNA) where: Base-Base interactions energy: -1106.486 where: short stacking energy: -505.360 Base-Backbone interact. energy: -1.938 local terms energy: -561.512031 where: bonds (distance) C4'-P energy: -120.276 bonds (distance) P-C4' energy: -120.439 flat angles C4'-P-C4' energy: -123.469 flat angles P-C4'-P energy: -88.905 tors. eta vs tors. theta energy: -108.423 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: 7, replica: 5 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1672.117148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.117148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.117148 (E_RNA) where: Base-Base interactions energy: -1078.734 where: short stacking energy: -493.571 Base-Backbone interact. energy: -0.193 local terms energy: -593.189426 where: bonds (distance) C4'-P energy: -126.630 bonds (distance) P-C4' energy: -125.309 flat angles C4'-P-C4' energy: -142.719 flat angles P-C4'-P energy: -87.655 tors. eta vs tors. theta energy: -110.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1330.856802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.856802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.856802 (E_RNA) where: Base-Base interactions energy: -823.418 where: short stacking energy: -367.552 Base-Backbone interact. energy: -0.272 local terms energy: -507.166862 where: bonds (distance) C4'-P energy: -125.504 bonds (distance) P-C4' energy: -108.416 flat angles C4'-P-C4' energy: -135.208 flat angles P-C4'-P energy: -77.064 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: 223 Temperature: 1.300000 Total energy: -1127.007632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.007632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.007632 (E_RNA) where: Base-Base interactions energy: -642.470 where: short stacking energy: -299.145 Base-Backbone interact. energy: 2.117 local terms energy: -486.654829 where: bonds (distance) C4'-P energy: -123.776 bonds (distance) P-C4' energy: -112.556 flat angles C4'-P-C4' energy: -126.581 flat angles P-C4'-P energy: -82.395 tors. eta vs tors. theta energy: -41.346 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: 1 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -868.614918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.614918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.614918 (E_RNA) where: Base-Base interactions energy: -442.189 where: short stacking energy: -251.286 Base-Backbone interact. energy: 4.273 local terms energy: -430.698499 where: bonds (distance) C4'-P energy: -126.110 bonds (distance) P-C4' energy: -144.081 flat angles C4'-P-C4' energy: -98.366 flat angles P-C4'-P energy: -66.127 tors. eta vs tors. theta energy: 3.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2547.956409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.956409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.956409 (E_RNA) where: Base-Base interactions energy: -1744.201 where: short stacking energy: -767.003 Base-Backbone interact. energy: -1.962 local terms energy: -801.793562 where: bonds (distance) C4'-P energy: -153.539 bonds (distance) P-C4' energy: -164.868 flat angles C4'-P-C4' energy: -162.900 flat angles P-C4'-P energy: -103.176 tors. eta vs tors. theta energy: -217.310 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: 3 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2512.692863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.692863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.692863 (E_RNA) where: Base-Base interactions energy: -1709.308 where: short stacking energy: -751.115 Base-Backbone interact. energy: -1.579 local terms energy: -801.805911 where: bonds (distance) C4'-P energy: -135.576 bonds (distance) P-C4' energy: -159.024 flat angles C4'-P-C4' energy: -169.819 flat angles P-C4'-P energy: -112.775 tors. eta vs tors. theta energy: -224.611 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: 3, replica: 4 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2348.347244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.347244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.347244 (E_RNA) where: Base-Base interactions energy: -1636.054 where: short stacking energy: -651.954 Base-Backbone interact. energy: -4.335 local terms energy: -707.958786 where: bonds (distance) C4'-P energy: -115.504 bonds (distance) P-C4' energy: -145.613 flat angles C4'-P-C4' energy: -167.799 flat angles P-C4'-P energy: -98.403 tors. eta vs tors. theta energy: -180.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2236.431793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.431793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.431793 (E_RNA) where: Base-Base interactions energy: -1522.477 where: short stacking energy: -689.852 Base-Backbone interact. energy: -3.430 local terms energy: -710.524966 where: bonds (distance) C4'-P energy: -129.894 bonds (distance) P-C4' energy: -149.271 flat angles C4'-P-C4' energy: -149.930 flat angles P-C4'-P energy: -104.878 tors. eta vs tors. theta energy: -176.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2016.401262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.401262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.401262 (E_RNA) where: Base-Base interactions energy: -1353.278 where: short stacking energy: -569.099 Base-Backbone interact. energy: -1.636 local terms energy: -661.487229 where: bonds (distance) C4'-P energy: -128.270 bonds (distance) P-C4' energy: -126.920 flat angles C4'-P-C4' energy: -158.278 flat angles P-C4'-P energy: -88.704 tors. eta vs tors. theta energy: -159.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1740.306163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.306163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.306163 (E_RNA) where: Base-Base interactions energy: -1119.115 where: short stacking energy: -519.450 Base-Backbone interact. energy: -0.383 local terms energy: -620.808147 where: bonds (distance) C4'-P energy: -133.975 bonds (distance) P-C4' energy: -143.039 flat angles C4'-P-C4' energy: -140.382 flat angles P-C4'-P energy: -81.480 tors. eta vs tors. theta energy: -121.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1634.656380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.656380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.656380 (E_RNA) where: Base-Base interactions energy: -1033.488 where: short stacking energy: -487.389 Base-Backbone interact. energy: 0.173 local terms energy: -601.341552 where: bonds (distance) C4'-P energy: -126.709 bonds (distance) P-C4' energy: -112.425 flat angles C4'-P-C4' energy: -142.758 flat angles P-C4'-P energy: -85.073 tors. eta vs tors. theta energy: -134.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1332.414887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.414887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.414887 (E_RNA) where: Base-Base interactions energy: -791.114 where: short stacking energy: -380.562 Base-Backbone interact. energy: -0.605 local terms energy: -541.487025 where: bonds (distance) C4'-P energy: -132.099 bonds (distance) P-C4' energy: -120.877 flat angles C4'-P-C4' energy: -131.883 flat angles P-C4'-P energy: -76.229 tors. eta vs tors. theta energy: -80.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.792 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1208.886212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.886212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.886212 (E_RNA) where: Base-Base interactions energy: -694.401 where: short stacking energy: -331.930 Base-Backbone interact. energy: -2.523 local terms energy: -511.962941 where: bonds (distance) C4'-P energy: -124.739 bonds (distance) P-C4' energy: -150.387 flat angles C4'-P-C4' energy: -109.430 flat angles P-C4'-P energy: -69.858 tors. eta vs tors. theta energy: -57.549 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: 1 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -834.683015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.683015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.683015 (E_RNA) where: Base-Base interactions energy: -449.259 where: short stacking energy: -241.295 Base-Backbone interact. energy: 1.500 local terms energy: -386.923855 where: bonds (distance) C4'-P energy: -111.501 bonds (distance) P-C4' energy: -137.548 flat angles C4'-P-C4' energy: -96.532 flat angles P-C4'-P energy: -45.447 tors. eta vs tors. theta energy: 4.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -2553.744072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.744072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.744072 (E_RNA) where: Base-Base interactions energy: -1720.892 where: short stacking energy: -763.898 Base-Backbone interact. energy: -2.273 local terms energy: -830.579422 where: bonds (distance) C4'-P energy: -139.463 bonds (distance) P-C4' energy: -154.060 flat angles C4'-P-C4' energy: -181.910 flat angles P-C4'-P energy: -125.369 tors. eta vs tors. theta energy: -229.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2487.693117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.693117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.693117 (E_RNA) where: Base-Base interactions energy: -1679.502 where: short stacking energy: -753.437 Base-Backbone interact. energy: 3.029 local terms energy: -811.220199 where: bonds (distance) C4'-P energy: -143.301 bonds (distance) P-C4' energy: -141.371 flat angles C4'-P-C4' energy: -182.482 flat angles P-C4'-P energy: -114.691 tors. eta vs tors. theta energy: -229.375 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: 225 Temperature: 1.000000 Total energy: -2385.208059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.208059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.208059 (E_RNA) where: Base-Base interactions energy: -1646.685 where: short stacking energy: -656.631 Base-Backbone interact. energy: -0.814 local terms energy: -737.709158 where: bonds (distance) C4'-P energy: -145.346 bonds (distance) P-C4' energy: -140.865 flat angles C4'-P-C4' energy: -169.388 flat angles P-C4'-P energy: -100.948 tors. eta vs tors. theta energy: -181.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2222.654756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.654756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.654756 (E_RNA) where: Base-Base interactions energy: -1537.036 where: short stacking energy: -647.495 Base-Backbone interact. energy: -4.711 local terms energy: -680.907777 where: bonds (distance) C4'-P energy: -130.169 bonds (distance) P-C4' energy: -144.226 flat angles C4'-P-C4' energy: -155.418 flat angles P-C4'-P energy: -82.161 tors. eta vs tors. theta energy: -168.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1990.553944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.553944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.553944 (E_RNA) where: Base-Base interactions energy: -1289.037 where: short stacking energy: -572.966 Base-Backbone interact. energy: -0.824 local terms energy: -700.692473 where: bonds (distance) C4'-P energy: -144.751 bonds (distance) P-C4' energy: -149.875 flat angles C4'-P-C4' energy: -133.443 flat angles P-C4'-P energy: -100.562 tors. eta vs tors. theta energy: -172.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1745.796086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.796086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.796086 (E_RNA) where: Base-Base interactions energy: -1139.581 where: short stacking energy: -517.111 Base-Backbone interact. energy: 2.856 local terms energy: -609.070802 where: bonds (distance) C4'-P energy: -132.166 bonds (distance) P-C4' energy: -133.942 flat angles C4'-P-C4' energy: -149.128 flat angles P-C4'-P energy: -68.955 tors. eta vs tors. theta energy: -124.880 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: 5 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1644.358272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.358272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.358272 (E_RNA) where: Base-Base interactions energy: -1041.255 where: short stacking energy: -479.666 Base-Backbone interact. energy: 0.901 local terms energy: -604.004568 where: bonds (distance) C4'-P energy: -142.775 bonds (distance) P-C4' energy: -123.853 flat angles C4'-P-C4' energy: -125.824 flat angles P-C4'-P energy: -85.351 tors. eta vs tors. theta energy: -126.201 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: 9 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1327.375591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.375591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.375591 (E_RNA) where: Base-Base interactions energy: -814.821 where: short stacking energy: -366.512 Base-Backbone interact. energy: 2.772 local terms energy: -515.325765 where: bonds (distance) C4'-P energy: -121.243 bonds (distance) P-C4' energy: -124.372 flat angles C4'-P-C4' energy: -127.928 flat angles P-C4'-P energy: -77.858 tors. eta vs tors. theta energy: -63.925 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: 10 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -1169.607762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.607762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.607762 (E_RNA) where: Base-Base interactions energy: -670.698 where: short stacking energy: -321.821 Base-Backbone interact. energy: 1.029 local terms energy: -499.937868 where: bonds (distance) C4'-P energy: -107.491 bonds (distance) P-C4' energy: -123.943 flat angles C4'-P-C4' energy: -124.744 flat angles P-C4'-P energy: -83.250 tors. eta vs tors. theta energy: -60.510 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: 1 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -826.802092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.802092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.802092 (E_RNA) where: Base-Base interactions energy: -418.239 where: short stacking energy: -236.300 Base-Backbone interact. energy: -1.452 local terms energy: -407.111581 where: bonds (distance) C4'-P energy: -122.156 bonds (distance) P-C4' energy: -117.801 flat angles C4'-P-C4' energy: -106.009 flat angles P-C4'-P energy: -62.756 tors. eta vs tors. theta energy: 1.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2565.139014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.139014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.139014 (E_RNA) where: Base-Base interactions energy: -1765.386 where: short stacking energy: -778.091 Base-Backbone interact. energy: -1.165 local terms energy: -798.588308 where: bonds (distance) C4'-P energy: -149.506 bonds (distance) P-C4' energy: -144.277 flat angles C4'-P-C4' energy: -166.821 flat angles P-C4'-P energy: -112.098 tors. eta vs tors. theta energy: -225.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2520.612186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.612186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.612186 (E_RNA) where: Base-Base interactions energy: -1706.761 where: short stacking energy: -756.668 Base-Backbone interact. energy: -1.824 local terms energy: -812.026802 where: bonds (distance) C4'-P energy: -149.171 bonds (distance) P-C4' energy: -150.798 flat angles C4'-P-C4' energy: -161.952 flat angles P-C4'-P energy: -107.092 tors. eta vs tors. theta energy: -243.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2405.754804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.754804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.754804 (E_RNA) where: Base-Base interactions energy: -1682.068 where: short stacking energy: -674.371 Base-Backbone interact. energy: -3.235 local terms energy: -720.452565 where: bonds (distance) C4'-P energy: -149.271 bonds (distance) P-C4' energy: -141.370 flat angles C4'-P-C4' energy: -154.579 flat angles P-C4'-P energy: -104.489 tors. eta vs tors. theta energy: -170.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2245.991677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.991677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.991677 (E_RNA) where: Base-Base interactions energy: -1545.228 where: short stacking energy: -677.049 Base-Backbone interact. energy: -4.815 local terms energy: -695.948598 where: bonds (distance) C4'-P energy: -119.779 bonds (distance) P-C4' energy: -134.772 flat angles C4'-P-C4' energy: -144.727 flat angles P-C4'-P energy: -112.831 tors. eta vs tors. theta energy: -183.840 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: 5, replica: 6 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1991.046369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.046369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.046369 (E_RNA) where: Base-Base interactions energy: -1332.618 where: short stacking energy: -579.526 Base-Backbone interact. energy: 1.230 local terms energy: -659.659250 where: bonds (distance) C4'-P energy: -141.944 bonds (distance) P-C4' energy: -128.548 flat angles C4'-P-C4' energy: -142.237 flat angles P-C4'-P energy: -93.573 tors. eta vs tors. theta energy: -153.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1734.998091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.998091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.998091 (E_RNA) where: Base-Base interactions energy: -1128.922 where: short stacking energy: -557.890 Base-Backbone interact. energy: -1.644 local terms energy: -604.432688 where: bonds (distance) C4'-P energy: -121.494 bonds (distance) P-C4' energy: -124.583 flat angles C4'-P-C4' energy: -138.401 flat angles P-C4'-P energy: -94.182 tors. eta vs tors. theta energy: -125.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1713.745959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.745959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.745959 (E_RNA) where: Base-Base interactions energy: -1111.859 where: short stacking energy: -495.890 Base-Backbone interact. energy: -2.554 local terms energy: -599.333331 where: bonds (distance) C4'-P energy: -129.400 bonds (distance) P-C4' energy: -133.822 flat angles C4'-P-C4' energy: -131.108 flat angles P-C4'-P energy: -80.329 tors. eta vs tors. theta energy: -124.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1366.546844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.546844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.546844 (E_RNA) where: Base-Base interactions energy: -846.788 where: short stacking energy: -404.179 Base-Backbone interact. energy: -2.394 local terms energy: -517.365436 where: bonds (distance) C4'-P energy: -129.360 bonds (distance) P-C4' energy: -120.150 flat angles C4'-P-C4' energy: -126.031 flat angles P-C4'-P energy: -66.920 tors. eta vs tors. theta energy: -74.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -1165.642216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.642216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.642216 (E_RNA) where: Base-Base interactions energy: -719.468 where: short stacking energy: -337.269 Base-Backbone interact. energy: 1.355 local terms energy: -447.528558 where: bonds (distance) C4'-P energy: -105.523 bonds (distance) P-C4' energy: -126.456 flat angles C4'-P-C4' energy: -93.662 flat angles P-C4'-P energy: -71.330 tors. eta vs tors. theta energy: -50.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -897.593060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.593060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.593060 (E_RNA) where: Base-Base interactions energy: -488.222 where: short stacking energy: -276.275 Base-Backbone interact. energy: -2.100 local terms energy: -407.270561 where: bonds (distance) C4'-P energy: -114.309 bonds (distance) P-C4' energy: -122.778 flat angles C4'-P-C4' energy: -105.591 flat angles P-C4'-P energy: -56.769 tors. eta vs tors. theta energy: -7.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2564.408225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.408225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.408225 (E_RNA) where: Base-Base interactions energy: -1753.788 where: short stacking energy: -748.513 Base-Backbone interact. energy: -2.733 local terms energy: -807.886919 where: bonds (distance) C4'-P energy: -152.560 bonds (distance) P-C4' energy: -149.231 flat angles C4'-P-C4' energy: -167.568 flat angles P-C4'-P energy: -113.744 tors. eta vs tors. theta energy: -224.783 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: 3 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2492.005683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.005683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.005683 (E_RNA) where: Base-Base interactions energy: -1706.073 where: short stacking energy: -760.291 Base-Backbone interact. energy: -3.613 local terms energy: -782.319932 where: bonds (distance) C4'-P energy: -118.029 bonds (distance) P-C4' energy: -147.265 flat angles C4'-P-C4' energy: -172.648 flat angles P-C4'-P energy: -118.491 tors. eta vs tors. theta energy: -225.887 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: 227 Temperature: 1.000000 Total energy: -2405.810012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.810012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.810012 (E_RNA) where: Base-Base interactions energy: -1685.783 where: short stacking energy: -706.170 Base-Backbone interact. energy: -3.585 local terms energy: -716.442621 where: bonds (distance) C4'-P energy: -116.735 bonds (distance) P-C4' energy: -144.066 flat angles C4'-P-C4' energy: -157.259 flat angles P-C4'-P energy: -104.373 tors. eta vs tors. theta energy: -194.010 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: 4, replica: 8 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2201.189461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.189461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.189461 (E_RNA) where: Base-Base interactions energy: -1499.489 where: short stacking energy: -641.950 Base-Backbone interact. energy: -2.332 local terms energy: -699.367853 where: bonds (distance) C4'-P energy: -108.825 bonds (distance) P-C4' energy: -153.251 flat angles C4'-P-C4' energy: -159.745 flat angles P-C4'-P energy: -102.693 tors. eta vs tors. theta energy: -174.854 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: 6 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1978.657594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.657594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.657594 (E_RNA) where: Base-Base interactions energy: -1353.259 where: short stacking energy: -581.719 Base-Backbone interact. energy: -2.122 local terms energy: -623.275824 where: bonds (distance) C4'-P energy: -118.675 bonds (distance) P-C4' energy: -145.658 flat angles C4'-P-C4' energy: -142.290 flat angles P-C4'-P energy: -75.457 tors. eta vs tors. theta energy: -141.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1775.081355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.081355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.081355 (E_RNA) where: Base-Base interactions energy: -1162.503 where: short stacking energy: -532.319 Base-Backbone interact. energy: 2.118 local terms energy: -614.696369 where: bonds (distance) C4'-P energy: -129.685 bonds (distance) P-C4' energy: -122.091 flat angles C4'-P-C4' energy: -147.394 flat angles P-C4'-P energy: -80.294 tors. eta vs tors. theta energy: -135.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1677.638956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.638956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.638956 (E_RNA) where: Base-Base interactions energy: -1088.641 where: short stacking energy: -500.841 Base-Backbone interact. energy: -0.411 local terms energy: -588.586460 where: bonds (distance) C4'-P energy: -109.009 bonds (distance) P-C4' energy: -124.617 flat angles C4'-P-C4' energy: -129.530 flat angles P-C4'-P energy: -90.748 tors. eta vs tors. theta energy: -134.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1396.762050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.762050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.762050 (E_RNA) where: Base-Base interactions energy: -895.338 where: short stacking energy: -403.692 Base-Backbone interact. energy: 1.092 local terms energy: -502.516603 where: bonds (distance) C4'-P energy: -105.485 bonds (distance) P-C4' energy: -122.425 flat angles C4'-P-C4' energy: -116.961 flat angles P-C4'-P energy: -73.634 tors. eta vs tors. theta energy: -84.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -1205.249739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.249739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.249739 (E_RNA) where: Base-Base interactions energy: -682.711 where: short stacking energy: -320.312 Base-Backbone interact. energy: -1.326 local terms energy: -521.212387 where: bonds (distance) C4'-P energy: -126.019 bonds (distance) P-C4' energy: -131.220 flat angles C4'-P-C4' energy: -120.281 flat angles P-C4'-P energy: -88.176 tors. eta vs tors. theta energy: -55.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -831.164712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.164712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.164712 (E_RNA) where: Base-Base interactions energy: -433.166 where: short stacking energy: -235.241 Base-Backbone interact. energy: 10.165 local terms energy: -408.936207 where: bonds (distance) C4'-P energy: -114.975 bonds (distance) P-C4' energy: -129.235 flat angles C4'-P-C4' energy: -107.863 flat angles P-C4'-P energy: -52.678 tors. eta vs tors. theta energy: -4.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.773 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2525.073401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.073401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.073401 (E_RNA) where: Base-Base interactions energy: -1725.019 where: short stacking energy: -751.772 Base-Backbone interact. energy: -4.554 local terms energy: -795.500986 where: bonds (distance) C4'-P energy: -137.891 bonds (distance) P-C4' energy: -160.525 flat angles C4'-P-C4' energy: -170.080 flat angles P-C4'-P energy: -105.809 tors. eta vs tors. theta energy: -221.196 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: 2, replica: 3 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2509.931287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.931287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.931287 (E_RNA) where: Base-Base interactions energy: -1710.307 where: short stacking energy: -768.332 Base-Backbone interact. energy: -1.934 local terms energy: -797.689790 where: bonds (distance) C4'-P energy: -151.836 bonds (distance) P-C4' energy: -143.518 flat angles C4'-P-C4' energy: -161.852 flat angles P-C4'-P energy: -107.777 tors. eta vs tors. theta energy: -232.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2364.112193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.112193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.112193 (E_RNA) where: Base-Base interactions energy: -1627.899 where: short stacking energy: -643.043 Base-Backbone interact. energy: 3.771 local terms energy: -739.984623 where: bonds (distance) C4'-P energy: -145.184 bonds (distance) P-C4' energy: -144.147 flat angles C4'-P-C4' energy: -161.257 flat angles P-C4'-P energy: -109.904 tors. eta vs tors. theta energy: -179.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2217.549920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.549920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.549920 (E_RNA) where: Base-Base interactions energy: -1530.423 where: short stacking energy: -607.185 Base-Backbone interact. energy: 2.093 local terms energy: -689.219836 where: bonds (distance) C4'-P energy: -131.604 bonds (distance) P-C4' energy: -137.690 flat angles C4'-P-C4' energy: -162.668 flat angles P-C4'-P energy: -90.503 tors. eta vs tors. theta energy: -166.754 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: 6 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -2029.770599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.770599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.770599 (E_RNA) where: Base-Base interactions energy: -1357.114 where: short stacking energy: -575.022 Base-Backbone interact. energy: -0.420 local terms energy: -672.237304 where: bonds (distance) C4'-P energy: -146.090 bonds (distance) P-C4' energy: -134.709 flat angles C4'-P-C4' energy: -146.556 flat angles P-C4'-P energy: -100.053 tors. eta vs tors. theta energy: -144.830 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: 7 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1808.242556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.242556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.242556 (E_RNA) where: Base-Base interactions energy: -1177.575 where: short stacking energy: -560.163 Base-Backbone interact. energy: 3.218 local terms energy: -633.885593 where: bonds (distance) C4'-P energy: -125.719 bonds (distance) P-C4' energy: -129.321 flat angles C4'-P-C4' energy: -140.961 flat angles P-C4'-P energy: -80.685 tors. eta vs tors. theta energy: -157.199 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: 5 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1605.635792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.635792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.635792 (E_RNA) where: Base-Base interactions energy: -1031.784 where: short stacking energy: -470.427 Base-Backbone interact. energy: -0.628 local terms energy: -573.223750 where: bonds (distance) C4'-P energy: -115.552 bonds (distance) P-C4' energy: -130.628 flat angles C4'-P-C4' energy: -143.282 flat angles P-C4'-P energy: -85.831 tors. eta vs tors. theta energy: -97.930 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: 8, replica: 9 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1328.266482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.266482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.266482 (E_RNA) where: Base-Base interactions energy: -794.416 where: short stacking energy: -363.006 Base-Backbone interact. energy: 7.695 local terms energy: -541.545201 where: bonds (distance) C4'-P energy: -121.546 bonds (distance) P-C4' energy: -157.230 flat angles C4'-P-C4' energy: -123.034 flat angles P-C4'-P energy: -70.905 tors. eta vs tors. theta energy: -68.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1166.454852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.454852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.454852 (E_RNA) where: Base-Base interactions energy: -677.996 where: short stacking energy: -336.678 Base-Backbone interact. energy: 7.804 local terms energy: -496.262381 where: bonds (distance) C4'-P energy: -118.239 bonds (distance) P-C4' energy: -127.392 flat angles C4'-P-C4' energy: -122.019 flat angles P-C4'-P energy: -75.913 tors. eta vs tors. theta energy: -52.698 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: 1 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -912.643007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.643007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.643007 (E_RNA) where: Base-Base interactions energy: -456.594 where: short stacking energy: -239.660 Base-Backbone interact. energy: 0.997 local terms energy: -457.045408 where: bonds (distance) C4'-P energy: -116.934 bonds (distance) P-C4' energy: -121.828 flat angles C4'-P-C4' energy: -121.338 flat angles P-C4'-P energy: -78.328 tors. eta vs tors. theta energy: -18.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2518.515367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.515367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.515367 (E_RNA) where: Base-Base interactions energy: -1727.893 where: short stacking energy: -740.075 Base-Backbone interact. energy: -3.508 local terms energy: -787.114326 where: bonds (distance) C4'-P energy: -150.719 bonds (distance) P-C4' energy: -140.799 flat angles C4'-P-C4' energy: -169.766 flat angles P-C4'-P energy: -113.324 tors. eta vs tors. theta energy: -212.506 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: 3 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2508.591613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.591613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.591613 (E_RNA) where: Base-Base interactions energy: -1686.234 where: short stacking energy: -754.284 Base-Backbone interact. energy: -1.266 local terms energy: -821.091912 where: bonds (distance) C4'-P energy: -145.254 bonds (distance) P-C4' energy: -153.149 flat angles C4'-P-C4' energy: -176.204 flat angles P-C4'-P energy: -118.498 tors. eta vs tors. theta energy: -227.986 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: 4 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2353.594745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.594745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.594745 (E_RNA) where: Base-Base interactions energy: -1636.670 where: short stacking energy: -661.748 Base-Backbone interact. energy: 1.656 local terms energy: -718.580728 where: bonds (distance) C4'-P energy: -151.508 bonds (distance) P-C4' energy: -136.012 flat angles C4'-P-C4' energy: -154.745 flat angles P-C4'-P energy: -107.448 tors. eta vs tors. theta energy: -168.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2253.318450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.318450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.318450 (E_RNA) where: Base-Base interactions energy: -1542.144 where: short stacking energy: -675.215 Base-Backbone interact. energy: -1.102 local terms energy: -710.072063 where: bonds (distance) C4'-P energy: -116.236 bonds (distance) P-C4' energy: -146.617 flat angles C4'-P-C4' energy: -162.324 flat angles P-C4'-P energy: -97.085 tors. eta vs tors. theta energy: -187.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2020.331151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.331151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.331151 (E_RNA) where: Base-Base interactions energy: -1378.421 where: short stacking energy: -555.229 Base-Backbone interact. energy: -0.509 local terms energy: -641.401110 where: bonds (distance) C4'-P energy: -121.449 bonds (distance) P-C4' energy: -133.181 flat angles C4'-P-C4' energy: -156.706 flat angles P-C4'-P energy: -87.346 tors. eta vs tors. theta energy: -142.720 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: 7 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1799.271653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.271653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.271653 (E_RNA) where: Base-Base interactions energy: -1160.675 where: short stacking energy: -511.855 Base-Backbone interact. energy: -1.862 local terms energy: -636.734189 where: bonds (distance) C4'-P energy: -114.896 bonds (distance) P-C4' energy: -128.105 flat angles C4'-P-C4' energy: -152.028 flat angles P-C4'-P energy: -95.999 tors. eta vs tors. theta energy: -145.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1622.061431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.061431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.061431 (E_RNA) where: Base-Base interactions energy: -1063.396 where: short stacking energy: -442.787 Base-Backbone interact. energy: -0.570 local terms energy: -558.095498 where: bonds (distance) C4'-P energy: -139.427 bonds (distance) P-C4' energy: -127.536 flat angles C4'-P-C4' energy: -129.349 flat angles P-C4'-P energy: -55.676 tors. eta vs tors. theta energy: -106.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1347.027926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.027926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.027926 (E_RNA) where: Base-Base interactions energy: -822.419 where: short stacking energy: -381.536 Base-Backbone interact. energy: 5.214 local terms energy: -529.823219 where: bonds (distance) C4'-P energy: -121.465 bonds (distance) P-C4' energy: -129.442 flat angles C4'-P-C4' energy: -128.483 flat angles P-C4'-P energy: -76.152 tors. eta vs tors. theta energy: -74.282 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: 10 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -1190.009359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.009359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.009359 (E_RNA) where: Base-Base interactions energy: -710.239 where: short stacking energy: -382.242 Base-Backbone interact. energy: 0.404 local terms energy: -480.174022 where: bonds (distance) C4'-P energy: -126.601 bonds (distance) P-C4' energy: -114.333 flat angles C4'-P-C4' energy: -124.875 flat angles P-C4'-P energy: -64.943 tors. eta vs tors. theta energy: -49.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -803.515617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.515617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.515617 (E_RNA) where: Base-Base interactions energy: -375.296 where: short stacking energy: -208.403 Base-Backbone interact. energy: -0.153 local terms energy: -428.067568 where: bonds (distance) C4'-P energy: -124.610 bonds (distance) P-C4' energy: -137.398 flat angles C4'-P-C4' energy: -113.348 flat angles P-C4'-P energy: -71.717 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: 1, replica: 2 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2527.966056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.966056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.966056 (E_RNA) where: Base-Base interactions energy: -1732.214 where: short stacking energy: -751.970 Base-Backbone interact. energy: -1.020 local terms energy: -794.732967 where: bonds (distance) C4'-P energy: -138.714 bonds (distance) P-C4' energy: -155.106 flat angles C4'-P-C4' energy: -160.725 flat angles P-C4'-P energy: -117.972 tors. eta vs tors. theta energy: -222.216 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: 2, replica: 3 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2531.053357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.053357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.053357 (E_RNA) where: Base-Base interactions energy: -1724.845 where: short stacking energy: -776.954 Base-Backbone interact. energy: -3.184 local terms energy: -803.024115 where: bonds (distance) C4'-P energy: -145.816 bonds (distance) P-C4' energy: -154.266 flat angles C4'-P-C4' energy: -173.388 flat angles P-C4'-P energy: -104.719 tors. eta vs tors. theta energy: -224.835 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: 4 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2369.428401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.428401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.428401 (E_RNA) where: Base-Base interactions energy: -1640.134 where: short stacking energy: -658.167 Base-Backbone interact. energy: 2.558 local terms energy: -731.852324 where: bonds (distance) C4'-P energy: -147.715 bonds (distance) P-C4' energy: -141.156 flat angles C4'-P-C4' energy: -153.460 flat angles P-C4'-P energy: -101.111 tors. eta vs tors. theta energy: -188.409 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: 4, replica: 8 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2297.407941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.407941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.407941 (E_RNA) where: Base-Base interactions energy: -1599.337 where: short stacking energy: -685.332 Base-Backbone interact. energy: -4.033 local terms energy: -694.038076 where: bonds (distance) C4'-P energy: -133.579 bonds (distance) P-C4' energy: -135.430 flat angles C4'-P-C4' energy: -135.249 flat angles P-C4'-P energy: -103.194 tors. eta vs tors. theta energy: -186.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -2039.934203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.934203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.934203 (E_RNA) where: Base-Base interactions energy: -1381.764 where: short stacking energy: -572.760 Base-Backbone interact. energy: 3.551 local terms energy: -661.720856 where: bonds (distance) C4'-P energy: -127.698 bonds (distance) P-C4' energy: -125.370 flat angles C4'-P-C4' energy: -151.400 flat angles P-C4'-P energy: -100.800 tors. eta vs tors. theta energy: -156.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1764.177472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.177472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.177472 (E_RNA) where: Base-Base interactions energy: -1172.233 where: short stacking energy: -539.045 Base-Backbone interact. energy: -2.777 local terms energy: -589.168045 where: bonds (distance) C4'-P energy: -106.171 bonds (distance) P-C4' energy: -119.291 flat angles C4'-P-C4' energy: -134.890 flat angles P-C4'-P energy: -88.187 tors. eta vs tors. theta energy: -140.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1575.738270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.738270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.738270 (E_RNA) where: Base-Base interactions energy: -1010.705 where: short stacking energy: -461.594 Base-Backbone interact. energy: 5.894 local terms energy: -570.927554 where: bonds (distance) C4'-P energy: -111.961 bonds (distance) P-C4' energy: -132.975 flat angles C4'-P-C4' energy: -138.949 flat angles P-C4'-P energy: -76.362 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: 9 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1275.574703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.574703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.574703 (E_RNA) where: Base-Base interactions energy: -752.068 where: short stacking energy: -350.355 Base-Backbone interact. energy: 0.575 local terms energy: -524.081925 where: bonds (distance) C4'-P energy: -129.135 bonds (distance) P-C4' energy: -126.682 flat angles C4'-P-C4' energy: -130.187 flat angles P-C4'-P energy: -82.305 tors. eta vs tors. theta energy: -55.773 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: 230 Temperature: 1.300000 Total energy: -1164.229701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.229701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.229701 (E_RNA) where: Base-Base interactions energy: -708.012 where: short stacking energy: -341.056 Base-Backbone interact. energy: -3.449 local terms energy: -452.768919 where: bonds (distance) C4'-P energy: -99.320 bonds (distance) P-C4' energy: -122.985 flat angles C4'-P-C4' energy: -113.907 flat angles P-C4'-P energy: -66.906 tors. eta vs tors. theta energy: -49.652 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: 1 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -770.807721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.807721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.807721 (E_RNA) where: Base-Base interactions energy: -357.517 where: short stacking energy: -215.804 Base-Backbone interact. energy: -1.948 local terms energy: -411.343360 where: bonds (distance) C4'-P energy: -117.462 bonds (distance) P-C4' energy: -125.013 flat angles C4'-P-C4' energy: -117.847 flat angles P-C4'-P energy: -49.560 tors. eta vs tors. theta energy: -1.461 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: 2 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2542.750168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.750168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.750168 (E_RNA) where: Base-Base interactions energy: -1759.293 where: short stacking energy: -758.211 Base-Backbone interact. energy: -1.022 local terms energy: -782.435567 where: bonds (distance) C4'-P energy: -146.852 bonds (distance) P-C4' energy: -152.181 flat angles C4'-P-C4' energy: -153.975 flat angles P-C4'-P energy: -111.206 tors. eta vs tors. theta energy: -218.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2544.944173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.944173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.944173 (E_RNA) where: Base-Base interactions energy: -1738.069 where: short stacking energy: -774.370 Base-Backbone interact. energy: 1.266 local terms energy: -808.141507 where: bonds (distance) C4'-P energy: -137.927 bonds (distance) P-C4' energy: -154.050 flat angles C4'-P-C4' energy: -176.562 flat angles P-C4'-P energy: -108.955 tors. eta vs tors. theta energy: -230.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2418.478313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.478313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.478313 (E_RNA) where: Base-Base interactions energy: -1669.749 where: short stacking energy: -681.482 Base-Backbone interact. energy: 1.413 local terms energy: -750.142447 where: bonds (distance) C4'-P energy: -138.320 bonds (distance) P-C4' energy: -146.247 flat angles C4'-P-C4' energy: -162.387 flat angles P-C4'-P energy: -120.107 tors. eta vs tors. theta energy: -183.081 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: 8 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2250.642363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.642363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.642363 (E_RNA) where: Base-Base interactions energy: -1567.938 where: short stacking energy: -639.684 Base-Backbone interact. energy: -1.927 local terms energy: -680.777653 where: bonds (distance) C4'-P energy: -133.795 bonds (distance) P-C4' energy: -130.678 flat angles C4'-P-C4' energy: -145.789 flat angles P-C4'-P energy: -101.992 tors. eta vs tors. theta energy: -168.524 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: 231 Temperature: 1.100000 Total energy: -1966.418638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.418638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.418638 (E_RNA) where: Base-Base interactions energy: -1314.350 where: short stacking energy: -560.815 Base-Backbone interact. energy: -1.103 local terms energy: -650.965776 where: bonds (distance) C4'-P energy: -134.230 bonds (distance) P-C4' energy: -146.779 flat angles C4'-P-C4' energy: -134.679 flat angles P-C4'-P energy: -98.852 tors. eta vs tors. theta energy: -136.426 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: 7 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1789.457026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.457026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.457026 (E_RNA) where: Base-Base interactions energy: -1166.088 where: short stacking energy: -541.669 Base-Backbone interact. energy: -2.255 local terms energy: -621.113798 where: bonds (distance) C4'-P energy: -125.399 bonds (distance) P-C4' energy: -123.076 flat angles C4'-P-C4' energy: -149.719 flat angles P-C4'-P energy: -96.748 tors. eta vs tors. theta energy: -126.172 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: 5 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1601.499925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.499925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.499925 (E_RNA) where: Base-Base interactions energy: -1039.720 where: short stacking energy: -485.592 Base-Backbone interact. energy: -0.978 local terms energy: -560.801851 where: bonds (distance) C4'-P energy: -116.849 bonds (distance) P-C4' energy: -125.178 flat angles C4'-P-C4' energy: -137.110 flat angles P-C4'-P energy: -77.015 tors. eta vs tors. theta energy: -104.651 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: 8, replica: 9 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1304.930400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.930400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.930400 (E_RNA) where: Base-Base interactions energy: -782.798 where: short stacking energy: -368.538 Base-Backbone interact. energy: -1.977 local terms energy: -520.156013 where: bonds (distance) C4'-P energy: -100.362 bonds (distance) P-C4' energy: -133.531 flat angles C4'-P-C4' energy: -136.551 flat angles P-C4'-P energy: -72.012 tors. eta vs tors. theta energy: -77.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1123.629789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.629789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.629789 (E_RNA) where: Base-Base interactions energy: -665.371 where: short stacking energy: -328.888 Base-Backbone interact. energy: 0.470 local terms energy: -458.728456 where: bonds (distance) C4'-P energy: -108.090 bonds (distance) P-C4' energy: -139.183 flat angles C4'-P-C4' energy: -104.388 flat angles P-C4'-P energy: -51.311 tors. eta vs tors. theta energy: -55.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -739.969953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.969953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.969953 (E_RNA) where: Base-Base interactions energy: -348.551 where: short stacking energy: -214.384 Base-Backbone interact. energy: 1.501 local terms energy: -392.920256 where: bonds (distance) C4'-P energy: -115.586 bonds (distance) P-C4' energy: -115.824 flat angles C4'-P-C4' energy: -99.732 flat angles P-C4'-P energy: -72.831 tors. eta vs tors. theta energy: 11.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2626.164383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.164383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.164383 (E_RNA) where: Base-Base interactions energy: -1791.630 where: short stacking energy: -790.778 Base-Backbone interact. energy: -2.466 local terms energy: -832.450743 where: bonds (distance) C4'-P energy: -164.164 bonds (distance) P-C4' energy: -146.043 flat angles C4'-P-C4' energy: -166.921 flat angles P-C4'-P energy: -110.879 tors. eta vs tors. theta energy: -244.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.383 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2512.410528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.410528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.410528 (E_RNA) where: Base-Base interactions energy: -1729.129 where: short stacking energy: -759.109 Base-Backbone interact. energy: 2.168 local terms energy: -785.450274 where: bonds (distance) C4'-P energy: -144.280 bonds (distance) P-C4' energy: -140.400 flat angles C4'-P-C4' energy: -169.548 flat angles P-C4'-P energy: -109.937 tors. eta vs tors. theta energy: -221.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2379.062731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.062731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.062731 (E_RNA) where: Base-Base interactions energy: -1664.291 where: short stacking energy: -664.104 Base-Backbone interact. energy: -4.956 local terms energy: -709.816024 where: bonds (distance) C4'-P energy: -130.968 bonds (distance) P-C4' energy: -140.757 flat angles C4'-P-C4' energy: -153.913 flat angles P-C4'-P energy: -98.980 tors. eta vs tors. theta energy: -185.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2239.799386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.799386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.799386 (E_RNA) where: Base-Base interactions energy: -1565.793 where: short stacking energy: -651.766 Base-Backbone interact. energy: -0.159 local terms energy: -673.846661 where: bonds (distance) C4'-P energy: -135.088 bonds (distance) P-C4' energy: -123.872 flat angles C4'-P-C4' energy: -165.618 flat angles P-C4'-P energy: -85.672 tors. eta vs tors. theta energy: -163.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -2034.479175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.479175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.479175 (E_RNA) where: Base-Base interactions energy: -1390.181 where: short stacking energy: -598.430 Base-Backbone interact. energy: 2.713 local terms energy: -647.010854 where: bonds (distance) C4'-P energy: -115.611 bonds (distance) P-C4' energy: -140.693 flat angles C4'-P-C4' energy: -146.012 flat angles P-C4'-P energy: -100.276 tors. eta vs tors. theta energy: -144.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1772.519965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.519965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.519965 (E_RNA) where: Base-Base interactions energy: -1139.528 where: short stacking energy: -510.060 Base-Backbone interact. energy: -6.166 local terms energy: -626.825685 where: bonds (distance) C4'-P energy: -149.649 bonds (distance) P-C4' energy: -122.734 flat angles C4'-P-C4' energy: -133.376 flat angles P-C4'-P energy: -92.109 tors. eta vs tors. theta energy: -128.956 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: 5 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1584.664298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.664298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.664298 (E_RNA) where: Base-Base interactions energy: -1025.636 where: short stacking energy: -472.454 Base-Backbone interact. energy: 1.224 local terms energy: -560.252416 where: bonds (distance) C4'-P energy: -134.837 bonds (distance) P-C4' energy: -114.955 flat angles C4'-P-C4' energy: -121.892 flat angles P-C4'-P energy: -77.640 tors. eta vs tors. theta energy: -110.927 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: 9 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1396.377079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.377079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.377079 (E_RNA) where: Base-Base interactions energy: -848.606 where: short stacking energy: -418.653 Base-Backbone interact. energy: -2.491 local terms energy: -545.279789 where: bonds (distance) C4'-P energy: -107.868 bonds (distance) P-C4' energy: -139.890 flat angles C4'-P-C4' energy: -136.939 flat angles P-C4'-P energy: -75.769 tors. eta vs tors. theta energy: -84.814 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: 232 Temperature: 1.300000 Total energy: -1175.073266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.073266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.073266 (E_RNA) where: Base-Base interactions energy: -697.752 where: short stacking energy: -323.360 Base-Backbone interact. energy: -0.534 local terms energy: -476.787695 where: bonds (distance) C4'-P energy: -119.754 bonds (distance) P-C4' energy: -113.788 flat angles C4'-P-C4' energy: -144.574 flat angles P-C4'-P energy: -61.352 tors. eta vs tors. theta energy: -37.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -720.612301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.612301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.612301 (E_RNA) where: Base-Base interactions energy: -344.422 where: short stacking energy: -221.576 Base-Backbone interact. energy: 4.884 local terms energy: -381.073490 where: bonds (distance) C4'-P energy: -99.790 bonds (distance) P-C4' energy: -125.872 flat angles C4'-P-C4' energy: -88.699 flat angles P-C4'-P energy: -72.874 tors. eta vs tors. theta energy: 6.161 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: 1, replica: 3 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2618.217097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.217097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.217097 (E_RNA) where: Base-Base interactions energy: -1761.666 where: short stacking energy: -759.059 Base-Backbone interact. energy: -1.742 local terms energy: -854.808863 where: bonds (distance) C4'-P energy: -168.359 bonds (distance) P-C4' energy: -151.881 flat angles C4'-P-C4' energy: -179.106 flat angles P-C4'-P energy: -117.801 tors. eta vs tors. theta energy: -237.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2504.226439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.226439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.226439 (E_RNA) where: Base-Base interactions energy: -1700.235 where: short stacking energy: -726.362 Base-Backbone interact. energy: -2.439 local terms energy: -801.552844 where: bonds (distance) C4'-P energy: -148.716 bonds (distance) P-C4' energy: -155.271 flat angles C4'-P-C4' energy: -164.743 flat angles P-C4'-P energy: -116.240 tors. eta vs tors. theta energy: -216.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2438.663939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.663939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.663939 (E_RNA) where: Base-Base interactions energy: -1698.465 where: short stacking energy: -717.024 Base-Backbone interact. energy: 0.788 local terms energy: -740.987420 where: bonds (distance) C4'-P energy: -143.854 bonds (distance) P-C4' energy: -142.501 flat angles C4'-P-C4' energy: -160.966 flat angles P-C4'-P energy: -107.544 tors. eta vs tors. theta energy: -186.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2224.426792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.426792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.426792 (E_RNA) where: Base-Base interactions energy: -1533.666 where: short stacking energy: -644.852 Base-Backbone interact. energy: -2.808 local terms energy: -687.953399 where: bonds (distance) C4'-P energy: -127.128 bonds (distance) P-C4' energy: -150.269 flat angles C4'-P-C4' energy: -146.379 flat angles P-C4'-P energy: -92.632 tors. eta vs tors. theta energy: -171.545 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: 6 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2008.752000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.752000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.752000 (E_RNA) where: Base-Base interactions energy: -1350.032 where: short stacking energy: -556.282 Base-Backbone interact. energy: 1.845 local terms energy: -660.564359 where: bonds (distance) C4'-P energy: -137.652 bonds (distance) P-C4' energy: -149.261 flat angles C4'-P-C4' energy: -148.427 flat angles P-C4'-P energy: -87.041 tors. eta vs tors. theta energy: -138.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1780.274033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.274033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.274033 (E_RNA) where: Base-Base interactions energy: -1150.847 where: short stacking energy: -516.608 Base-Backbone interact. energy: 0.675 local terms energy: -630.102123 where: bonds (distance) C4'-P energy: -128.649 bonds (distance) P-C4' energy: -129.958 flat angles C4'-P-C4' energy: -140.610 flat angles P-C4'-P energy: -98.243 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: 5 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1602.249966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.249966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.249966 (E_RNA) where: Base-Base interactions energy: -1030.443 where: short stacking energy: -452.804 Base-Backbone interact. energy: 1.103 local terms energy: -572.910136 where: bonds (distance) C4'-P energy: -117.530 bonds (distance) P-C4' energy: -142.326 flat angles C4'-P-C4' energy: -144.728 flat angles P-C4'-P energy: -68.910 tors. eta vs tors. theta energy: -99.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1399.895199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.895199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.895199 (E_RNA) where: Base-Base interactions energy: -834.260 where: short stacking energy: -415.359 Base-Backbone interact. energy: 2.986 local terms energy: -568.621079 where: bonds (distance) C4'-P energy: -127.196 bonds (distance) P-C4' energy: -147.984 flat angles C4'-P-C4' energy: -143.361 flat angles P-C4'-P energy: -68.247 tors. eta vs tors. theta energy: -81.833 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: 233 Temperature: 1.300000 Total energy: -1149.086281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.086281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.086281 (E_RNA) where: Base-Base interactions energy: -677.157 where: short stacking energy: -322.235 Base-Backbone interact. energy: -0.007 local terms energy: -471.922330 where: bonds (distance) C4'-P energy: -103.709 bonds (distance) P-C4' energy: -121.042 flat angles C4'-P-C4' energy: -129.308 flat angles P-C4'-P energy: -64.978 tors. eta vs tors. theta energy: -52.886 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: 1 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -796.598221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.598221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.598221 (E_RNA) where: Base-Base interactions energy: -408.481 where: short stacking energy: -239.171 Base-Backbone interact. energy: 5.102 local terms energy: -393.219069 where: bonds (distance) C4'-P energy: -114.023 bonds (distance) P-C4' energy: -135.960 flat angles C4'-P-C4' energy: -109.513 flat angles P-C4'-P energy: -38.552 tors. eta vs tors. theta energy: 4.829 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: 3 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -2608.112240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.112240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.112240 (E_RNA) where: Base-Base interactions energy: -1785.296 where: short stacking energy: -799.620 Base-Backbone interact. energy: -2.387 local terms energy: -820.429662 where: bonds (distance) C4'-P energy: -144.006 bonds (distance) P-C4' energy: -157.447 flat angles C4'-P-C4' energy: -157.150 flat angles P-C4'-P energy: -124.235 tors. eta vs tors. theta energy: -237.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2477.351406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.351406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.351406 (E_RNA) where: Base-Base interactions energy: -1685.296 where: short stacking energy: -739.880 Base-Backbone interact. energy: -1.756 local terms energy: -790.299794 where: bonds (distance) C4'-P energy: -142.586 bonds (distance) P-C4' energy: -152.551 flat angles C4'-P-C4' energy: -168.524 flat angles P-C4'-P energy: -111.449 tors. eta vs tors. theta energy: -215.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2400.939094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.939094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.939094 (E_RNA) where: Base-Base interactions energy: -1679.685 where: short stacking energy: -668.546 Base-Backbone interact. energy: -2.171 local terms energy: -719.468091 where: bonds (distance) C4'-P energy: -135.185 bonds (distance) P-C4' energy: -146.302 flat angles C4'-P-C4' energy: -150.889 flat angles P-C4'-P energy: -96.919 tors. eta vs tors. theta energy: -190.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.385 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2190.956043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.956043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.956043 (E_RNA) where: Base-Base interactions energy: -1515.075 where: short stacking energy: -616.871 Base-Backbone interact. energy: -2.952 local terms energy: -672.928887 where: bonds (distance) C4'-P energy: -124.812 bonds (distance) P-C4' energy: -127.021 flat angles C4'-P-C4' energy: -156.760 flat angles P-C4'-P energy: -107.706 tors. eta vs tors. theta energy: -156.630 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: 6 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2034.709875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.709875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.709875 (E_RNA) where: Base-Base interactions energy: -1350.601 where: short stacking energy: -603.193 Base-Backbone interact. energy: -2.898 local terms energy: -681.210716 where: bonds (distance) C4'-P energy: -127.380 bonds (distance) P-C4' energy: -151.644 flat angles C4'-P-C4' energy: -140.607 flat angles P-C4'-P energy: -96.807 tors. eta vs tors. theta energy: -164.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1739.576007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.576007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.576007 (E_RNA) where: Base-Base interactions energy: -1127.241 where: short stacking energy: -551.203 Base-Backbone interact. energy: -0.697 local terms energy: -611.638061 where: bonds (distance) C4'-P energy: -130.589 bonds (distance) P-C4' energy: -108.609 flat angles C4'-P-C4' energy: -146.349 flat angles P-C4'-P energy: -89.843 tors. eta vs tors. theta energy: -136.247 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: 5 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1615.318590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.318590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.318590 (E_RNA) where: Base-Base interactions energy: -1057.588 where: short stacking energy: -475.355 Base-Backbone interact. energy: -2.132 local terms energy: -555.598565 where: bonds (distance) C4'-P energy: -108.726 bonds (distance) P-C4' energy: -116.267 flat angles C4'-P-C4' energy: -145.726 flat angles P-C4'-P energy: -77.428 tors. eta vs tors. theta energy: -107.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1351.653593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.653593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.653593 (E_RNA) where: Base-Base interactions energy: -850.679 where: short stacking energy: -383.646 Base-Backbone interact. energy: 0.684 local terms energy: -501.658319 where: bonds (distance) C4'-P energy: -99.137 bonds (distance) P-C4' energy: -114.501 flat angles C4'-P-C4' energy: -147.744 flat angles P-C4'-P energy: -70.343 tors. eta vs tors. theta energy: -69.934 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: 234 Temperature: 1.300000 Total energy: -1223.937317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.937317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.937317 (E_RNA) where: Base-Base interactions energy: -707.989 where: short stacking energy: -351.550 Base-Backbone interact. energy: -3.983 local terms energy: -511.964676 where: bonds (distance) C4'-P energy: -114.492 bonds (distance) P-C4' energy: -140.716 flat angles C4'-P-C4' energy: -129.942 flat angles P-C4'-P energy: -68.359 tors. eta vs tors. theta energy: -58.456 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: 1 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -771.124067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.124067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.124067 (E_RNA) where: Base-Base interactions energy: -397.841 where: short stacking energy: -209.664 Base-Backbone interact. energy: 0.936 local terms energy: -374.218657 where: bonds (distance) C4'-P energy: -109.268 bonds (distance) P-C4' energy: -114.388 flat angles C4'-P-C4' energy: -111.013 flat angles P-C4'-P energy: -55.583 tors. eta vs tors. theta energy: 16.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -2618.410534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.410534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.410534 (E_RNA) where: Base-Base interactions energy: -1777.825 where: short stacking energy: -794.554 Base-Backbone interact. energy: 0.416 local terms energy: -841.001191 where: bonds (distance) C4'-P energy: -148.391 bonds (distance) P-C4' energy: -154.403 flat angles C4'-P-C4' energy: -172.507 flat angles P-C4'-P energy: -113.833 tors. eta vs tors. theta energy: -251.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2463.522119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.522119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.522119 (E_RNA) where: Base-Base interactions energy: -1692.070 where: short stacking energy: -745.741 Base-Backbone interact. energy: -0.951 local terms energy: -770.501614 where: bonds (distance) C4'-P energy: -141.167 bonds (distance) P-C4' energy: -147.576 flat angles C4'-P-C4' energy: -162.293 flat angles P-C4'-P energy: -114.738 tors. eta vs tors. theta energy: -204.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2338.269982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.269982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.269982 (E_RNA) where: Base-Base interactions energy: -1602.324 where: short stacking energy: -659.020 Base-Backbone interact. energy: -4.751 local terms energy: -731.194926 where: bonds (distance) C4'-P energy: -153.383 bonds (distance) P-C4' energy: -133.193 flat angles C4'-P-C4' energy: -156.466 flat angles P-C4'-P energy: -113.466 tors. eta vs tors. theta energy: -174.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2200.643809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.643809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.643809 (E_RNA) where: Base-Base interactions energy: -1528.136 where: short stacking energy: -632.288 Base-Backbone interact. energy: -0.266 local terms energy: -672.241927 where: bonds (distance) C4'-P energy: -128.272 bonds (distance) P-C4' energy: -128.671 flat angles C4'-P-C4' energy: -154.495 flat angles P-C4'-P energy: -94.091 tors. eta vs tors. theta energy: -166.713 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: 235 Temperature: 1.100000 Total energy: -2032.581759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.581759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.581759 (E_RNA) where: Base-Base interactions energy: -1365.007 where: short stacking energy: -577.159 Base-Backbone interact. energy: -1.752 local terms energy: -665.823460 where: bonds (distance) C4'-P energy: -131.339 bonds (distance) P-C4' energy: -135.069 flat angles C4'-P-C4' energy: -152.177 flat angles P-C4'-P energy: -99.389 tors. eta vs tors. theta energy: -147.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1861.124793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.124793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.124793 (E_RNA) where: Base-Base interactions energy: -1216.492 where: short stacking energy: -532.190 Base-Backbone interact. energy: 5.103 local terms energy: -649.736220 where: bonds (distance) C4'-P energy: -133.036 bonds (distance) P-C4' energy: -153.691 flat angles C4'-P-C4' energy: -137.055 flat angles P-C4'-P energy: -87.566 tors. eta vs tors. theta energy: -138.388 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: 5 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1511.155454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.155454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.155454 (E_RNA) where: Base-Base interactions energy: -953.364 where: short stacking energy: -434.657 Base-Backbone interact. energy: -0.570 local terms energy: -557.221818 where: bonds (distance) C4'-P energy: -133.949 bonds (distance) P-C4' energy: -121.250 flat angles C4'-P-C4' energy: -136.347 flat angles P-C4'-P energy: -61.806 tors. eta vs tors. theta energy: -103.870 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: 9 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1339.800758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.800758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.800758 (E_RNA) where: Base-Base interactions energy: -864.231 where: short stacking energy: -387.755 Base-Backbone interact. energy: 2.168 local terms energy: -477.737095 where: bonds (distance) C4'-P energy: -110.841 bonds (distance) P-C4' energy: -142.799 flat angles C4'-P-C4' energy: -114.037 flat angles P-C4'-P energy: -62.269 tors. eta vs tors. theta energy: -47.791 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: 235 Temperature: 1.300000 Total energy: -1225.396198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.396198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.396198 (E_RNA) where: Base-Base interactions energy: -767.544 where: short stacking energy: -362.880 Base-Backbone interact. energy: -1.367 local terms energy: -456.484724 where: bonds (distance) C4'-P energy: -104.194 bonds (distance) P-C4' energy: -121.080 flat angles C4'-P-C4' energy: -111.837 flat angles P-C4'-P energy: -79.757 tors. eta vs tors. theta energy: -39.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -768.624570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.624570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.624570 (E_RNA) where: Base-Base interactions energy: -374.185 where: short stacking energy: -222.108 Base-Backbone interact. energy: -0.065 local terms energy: -394.374936 where: bonds (distance) C4'-P energy: -106.904 bonds (distance) P-C4' energy: -128.535 flat angles C4'-P-C4' energy: -113.900 flat angles P-C4'-P energy: -48.496 tors. eta vs tors. theta energy: 3.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2608.183080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.183080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.183080 (E_RNA) where: Base-Base interactions energy: -1777.708 where: short stacking energy: -775.929 Base-Backbone interact. energy: -4.715 local terms energy: -825.760272 where: bonds (distance) C4'-P energy: -149.807 bonds (distance) P-C4' energy: -148.756 flat angles C4'-P-C4' energy: -167.876 flat angles P-C4'-P energy: -119.835 tors. eta vs tors. theta energy: -239.487 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: 2 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2481.340121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.340121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.340121 (E_RNA) where: Base-Base interactions energy: -1718.107 where: short stacking energy: -747.262 Base-Backbone interact. energy: -2.239 local terms energy: -760.994615 where: bonds (distance) C4'-P energy: -135.641 bonds (distance) P-C4' energy: -141.206 flat angles C4'-P-C4' energy: -157.112 flat angles P-C4'-P energy: -115.609 tors. eta vs tors. theta energy: -211.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2392.619839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.619839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.619839 (E_RNA) where: Base-Base interactions energy: -1683.714 where: short stacking energy: -699.061 Base-Backbone interact. energy: -0.977 local terms energy: -707.928930 where: bonds (distance) C4'-P energy: -139.352 bonds (distance) P-C4' energy: -132.137 flat angles C4'-P-C4' energy: -145.991 flat angles P-C4'-P energy: -108.558 tors. eta vs tors. theta energy: -181.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2225.841931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.841931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.841931 (E_RNA) where: Base-Base interactions energy: -1497.373 where: short stacking energy: -615.378 Base-Backbone interact. energy: -1.139 local terms energy: -727.329396 where: bonds (distance) C4'-P energy: -140.208 bonds (distance) P-C4' energy: -148.957 flat angles C4'-P-C4' energy: -157.313 flat angles P-C4'-P energy: -121.423 tors. eta vs tors. theta energy: -159.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2006.236258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.236258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.236258 (E_RNA) where: Base-Base interactions energy: -1333.726 where: short stacking energy: -576.772 Base-Backbone interact. energy: -1.768 local terms energy: -670.742579 where: bonds (distance) C4'-P energy: -127.051 bonds (distance) P-C4' energy: -128.597 flat angles C4'-P-C4' energy: -145.163 flat angles P-C4'-P energy: -112.616 tors. eta vs tors. theta energy: -157.315 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: 7 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1840.403875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.403875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.403875 (E_RNA) where: Base-Base interactions energy: -1210.154 where: short stacking energy: -538.622 Base-Backbone interact. energy: -3.329 local terms energy: -626.920901 where: bonds (distance) C4'-P energy: -133.634 bonds (distance) P-C4' energy: -114.066 flat angles C4'-P-C4' energy: -141.259 flat angles P-C4'-P energy: -100.799 tors. eta vs tors. theta energy: -137.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1524.511416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.511416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.511416 (E_RNA) where: Base-Base interactions energy: -973.105 where: short stacking energy: -455.016 Base-Backbone interact. energy: 1.072 local terms energy: -552.478573 where: bonds (distance) C4'-P energy: -113.593 bonds (distance) P-C4' energy: -146.245 flat angles C4'-P-C4' energy: -119.425 flat angles P-C4'-P energy: -70.348 tors. eta vs tors. theta energy: -102.868 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: 9 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1328.759106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.759106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.759106 (E_RNA) where: Base-Base interactions energy: -822.172 where: short stacking energy: -373.064 Base-Backbone interact. energy: -3.009 local terms energy: -503.578301 where: bonds (distance) C4'-P energy: -109.227 bonds (distance) P-C4' energy: -116.221 flat angles C4'-P-C4' energy: -123.956 flat angles P-C4'-P energy: -85.708 tors. eta vs tors. theta energy: -68.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -1179.637762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.637762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.637762 (E_RNA) where: Base-Base interactions energy: -694.569 where: short stacking energy: -321.734 Base-Backbone interact. energy: -1.729 local terms energy: -483.339854 where: bonds (distance) C4'-P energy: -124.614 bonds (distance) P-C4' energy: -141.979 flat angles C4'-P-C4' energy: -108.157 flat angles P-C4'-P energy: -67.324 tors. eta vs tors. theta energy: -41.265 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: 1 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -712.507387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.507387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.507387 (E_RNA) where: Base-Base interactions energy: -331.097 where: short stacking energy: -206.590 Base-Backbone interact. energy: 8.927 local terms energy: -390.336970 where: bonds (distance) C4'-P energy: -98.406 bonds (distance) P-C4' energy: -127.928 flat angles C4'-P-C4' energy: -109.694 flat angles P-C4'-P energy: -46.076 tors. eta vs tors. theta energy: -8.233 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: 3 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -2611.142257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.142257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.142257 (E_RNA) where: Base-Base interactions energy: -1776.948 where: short stacking energy: -761.861 Base-Backbone interact. energy: -0.888 local terms energy: -834.536688 where: bonds (distance) C4'-P energy: -159.727 bonds (distance) P-C4' energy: -149.098 flat angles C4'-P-C4' energy: -174.519 flat angles P-C4'-P energy: -118.962 tors. eta vs tors. theta energy: -232.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.231 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2526.948019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.948019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.948019 (E_RNA) where: Base-Base interactions energy: -1739.253 where: short stacking energy: -741.862 Base-Backbone interact. energy: -4.027 local terms energy: -783.667734 where: bonds (distance) C4'-P energy: -153.888 bonds (distance) P-C4' energy: -150.554 flat angles C4'-P-C4' energy: -164.073 flat angles P-C4'-P energy: -107.866 tors. eta vs tors. theta energy: -207.287 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: 3, replica: 4 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2424.449192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.449192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.449192 (E_RNA) where: Base-Base interactions energy: -1727.233 where: short stacking energy: -707.058 Base-Backbone interact. energy: -4.707 local terms energy: -693.700371 where: bonds (distance) C4'-P energy: -132.044 bonds (distance) P-C4' energy: -139.825 flat angles C4'-P-C4' energy: -145.262 flat angles P-C4'-P energy: -89.579 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: 1.191 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2263.109150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.109150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.109150 (E_RNA) where: Base-Base interactions energy: -1562.494 where: short stacking energy: -656.739 Base-Backbone interact. energy: 0.278 local terms energy: -700.892614 where: bonds (distance) C4'-P energy: -128.093 bonds (distance) P-C4' energy: -129.703 flat angles C4'-P-C4' energy: -154.396 flat angles P-C4'-P energy: -96.598 tors. eta vs tors. theta energy: -192.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2077.382339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.382339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.382339 (E_RNA) where: Base-Base interactions energy: -1408.184 where: short stacking energy: -595.250 Base-Backbone interact. energy: 1.221 local terms energy: -670.418724 where: bonds (distance) C4'-P energy: -126.420 bonds (distance) P-C4' energy: -132.265 flat angles C4'-P-C4' energy: -158.939 flat angles P-C4'-P energy: -92.521 tors. eta vs tors. theta energy: -160.274 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: 7 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1796.720395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.720395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.720395 (E_RNA) where: Base-Base interactions energy: -1147.152 where: short stacking energy: -505.032 Base-Backbone interact. energy: -2.323 local terms energy: -647.245914 where: bonds (distance) C4'-P energy: -137.422 bonds (distance) P-C4' energy: -120.623 flat angles C4'-P-C4' energy: -141.725 flat angles P-C4'-P energy: -110.428 tors. eta vs tors. theta energy: -137.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1557.118005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.118005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.118005 (E_RNA) where: Base-Base interactions energy: -1027.069 where: short stacking energy: -491.145 Base-Backbone interact. energy: -1.194 local terms energy: -528.854684 where: bonds (distance) C4'-P energy: -120.247 bonds (distance) P-C4' energy: -109.405 flat angles C4'-P-C4' energy: -131.118 flat angles P-C4'-P energy: -66.136 tors. eta vs tors. theta energy: -101.949 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: 9 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1360.419257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.419257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.419257 (E_RNA) where: Base-Base interactions energy: -848.797 where: short stacking energy: -404.498 Base-Backbone interact. energy: -2.932 local terms energy: -508.689520 where: bonds (distance) C4'-P energy: -127.853 bonds (distance) P-C4' energy: -110.814 flat angles C4'-P-C4' energy: -118.663 flat angles P-C4'-P energy: -73.317 tors. eta vs tors. theta energy: -78.043 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: 237 Temperature: 1.300000 Total energy: -1255.480951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.480951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.480951 (E_RNA) where: Base-Base interactions energy: -765.883 where: short stacking energy: -352.201 Base-Backbone interact. energy: 0.314 local terms energy: -489.912063 where: bonds (distance) C4'-P energy: -119.402 bonds (distance) P-C4' energy: -139.818 flat angles C4'-P-C4' energy: -100.940 flat angles P-C4'-P energy: -67.509 tors. eta vs tors. theta energy: -62.243 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: 1 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -694.092343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.092343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.092343 (E_RNA) where: Base-Base interactions energy: -305.896 where: short stacking energy: -215.508 Base-Backbone interact. energy: 1.476 local terms energy: -389.672421 where: bonds (distance) C4'-P energy: -110.010 bonds (distance) P-C4' energy: -116.253 flat angles C4'-P-C4' energy: -103.948 flat angles P-C4'-P energy: -71.390 tors. eta vs tors. theta energy: 11.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2647.903124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.903124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.903124 (E_RNA) where: Base-Base interactions energy: -1814.690 where: short stacking energy: -799.872 Base-Backbone interact. energy: 0.691 local terms energy: -835.187005 where: bonds (distance) C4'-P energy: -159.222 bonds (distance) P-C4' energy: -143.936 flat angles C4'-P-C4' energy: -172.891 flat angles P-C4'-P energy: -125.253 tors. eta vs tors. theta energy: -233.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.283 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2499.854784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.854784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.854784 (E_RNA) where: Base-Base interactions energy: -1723.562 where: short stacking energy: -732.943 Base-Backbone interact. energy: -1.264 local terms energy: -775.028100 where: bonds (distance) C4'-P energy: -135.850 bonds (distance) P-C4' energy: -142.128 flat angles C4'-P-C4' energy: -163.998 flat angles P-C4'-P energy: -115.295 tors. eta vs tors. theta energy: -217.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2324.794268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.794268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.794268 (E_RNA) where: Base-Base interactions energy: -1631.376 where: short stacking energy: -684.536 Base-Backbone interact. energy: -0.815 local terms energy: -692.602470 where: bonds (distance) C4'-P energy: -134.374 bonds (distance) P-C4' energy: -130.556 flat angles C4'-P-C4' energy: -146.708 flat angles P-C4'-P energy: -90.937 tors. eta vs tors. theta energy: -190.028 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: 4, replica: 4 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2330.866667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.866667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.866667 (E_RNA) where: Base-Base interactions energy: -1641.805 where: short stacking energy: -665.706 Base-Backbone interact. energy: -3.379 local terms energy: -685.683102 where: bonds (distance) C4'-P energy: -135.585 bonds (distance) P-C4' energy: -117.743 flat angles C4'-P-C4' energy: -149.949 flat angles P-C4'-P energy: -102.179 tors. eta vs tors. theta energy: -180.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -2089.286612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.286612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.286612 (E_RNA) where: Base-Base interactions energy: -1423.713 where: short stacking energy: -578.700 Base-Backbone interact. energy: 5.915 local terms energy: -671.488193 where: bonds (distance) C4'-P energy: -138.475 bonds (distance) P-C4' energy: -142.104 flat angles C4'-P-C4' energy: -146.912 flat angles P-C4'-P energy: -80.993 tors. eta vs tors. theta energy: -163.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1788.848536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.848536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.848536 (E_RNA) where: Base-Base interactions energy: -1199.766 where: short stacking energy: -547.407 Base-Backbone interact. energy: 0.653 local terms energy: -589.735072 where: bonds (distance) C4'-P energy: -100.157 bonds (distance) P-C4' energy: -113.653 flat angles C4'-P-C4' energy: -158.983 flat angles P-C4'-P energy: -74.227 tors. eta vs tors. theta energy: -142.715 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: 7, replica: 5 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1547.598223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.598223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.598223 (E_RNA) where: Base-Base interactions energy: -990.632 where: short stacking energy: -437.122 Base-Backbone interact. energy: -1.535 local terms energy: -555.431145 where: bonds (distance) C4'-P energy: -112.405 bonds (distance) P-C4' energy: -120.727 flat angles C4'-P-C4' energy: -142.246 flat angles P-C4'-P energy: -87.934 tors. eta vs tors. theta energy: -92.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1395.019226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.019226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.019226 (E_RNA) where: Base-Base interactions energy: -873.291 where: short stacking energy: -410.513 Base-Backbone interact. energy: 0.428 local terms energy: -522.156579 where: bonds (distance) C4'-P energy: -124.755 bonds (distance) P-C4' energy: -132.182 flat angles C4'-P-C4' energy: -117.061 flat angles P-C4'-P energy: -75.608 tors. eta vs tors. theta energy: -72.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -1198.199720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.199720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.199720 (E_RNA) where: Base-Base interactions energy: -724.415 where: short stacking energy: -352.866 Base-Backbone interact. energy: 1.855 local terms energy: -475.640123 where: bonds (distance) C4'-P energy: -111.896 bonds (distance) P-C4' energy: -133.901 flat angles C4'-P-C4' energy: -114.205 flat angles P-C4'-P energy: -72.992 tors. eta vs tors. theta energy: -42.647 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: 1 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -775.131873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.131873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.131873 (E_RNA) where: Base-Base interactions energy: -348.635 where: short stacking energy: -217.006 Base-Backbone interact. energy: 0.155 local terms energy: -426.651895 where: bonds (distance) C4'-P energy: -128.944 bonds (distance) P-C4' energy: -131.838 flat angles C4'-P-C4' energy: -109.594 flat angles P-C4'-P energy: -63.209 tors. eta vs tors. theta energy: 6.932 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: 3 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2599.240425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.240425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.240425 (E_RNA) where: Base-Base interactions energy: -1791.186 where: short stacking energy: -766.385 Base-Backbone interact. energy: -0.331 local terms energy: -807.724293 where: bonds (distance) C4'-P energy: -150.280 bonds (distance) P-C4' energy: -154.557 flat angles C4'-P-C4' energy: -170.662 flat angles P-C4'-P energy: -108.177 tors. eta vs tors. theta energy: -224.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2468.000211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.000211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.000211 (E_RNA) where: Base-Base interactions energy: -1689.078 where: short stacking energy: -724.920 Base-Backbone interact. energy: -4.236 local terms energy: -774.687003 where: bonds (distance) C4'-P energy: -145.269 bonds (distance) P-C4' energy: -147.794 flat angles C4'-P-C4' energy: -172.834 flat angles P-C4'-P energy: -98.347 tors. eta vs tors. theta energy: -210.443 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: 3, replica: 8 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2347.586357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.586357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.586357 (E_RNA) where: Base-Base interactions energy: -1582.755 where: short stacking energy: -687.717 Base-Backbone interact. energy: -2.862 local terms energy: -761.969035 where: bonds (distance) C4'-P energy: -143.840 bonds (distance) P-C4' energy: -150.893 flat angles C4'-P-C4' energy: -160.686 flat angles P-C4'-P energy: -109.846 tors. eta vs tors. theta energy: -196.705 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: 4 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2264.472222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.472222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.472222 (E_RNA) where: Base-Base interactions energy: -1592.654 where: short stacking energy: -652.430 Base-Backbone interact. energy: -0.455 local terms energy: -671.363467 where: bonds (distance) C4'-P energy: -126.591 bonds (distance) P-C4' energy: -132.757 flat angles C4'-P-C4' energy: -154.025 flat angles P-C4'-P energy: -87.223 tors. eta vs tors. theta energy: -170.768 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: 6 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2098.606136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.606136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.606136 (E_RNA) where: Base-Base interactions energy: -1423.074 where: short stacking energy: -611.106 Base-Backbone interact. energy: -2.077 local terms energy: -673.455629 where: bonds (distance) C4'-P energy: -144.073 bonds (distance) P-C4' energy: -125.617 flat angles C4'-P-C4' energy: -141.661 flat angles P-C4'-P energy: -96.589 tors. eta vs tors. theta energy: -165.515 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: 7 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1764.471979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.471979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.471979 (E_RNA) where: Base-Base interactions energy: -1184.328 where: short stacking energy: -526.459 Base-Backbone interact. energy: -2.195 local terms energy: -577.948879 where: bonds (distance) C4'-P energy: -129.603 bonds (distance) P-C4' energy: -111.181 flat angles C4'-P-C4' energy: -125.777 flat angles P-C4'-P energy: -92.722 tors. eta vs tors. theta energy: -118.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1545.044947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.044947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.044947 (E_RNA) where: Base-Base interactions energy: -989.724 where: short stacking energy: -474.202 Base-Backbone interact. energy: -2.634 local terms energy: -552.687141 where: bonds (distance) C4'-P energy: -128.760 bonds (distance) P-C4' energy: -105.444 flat angles C4'-P-C4' energy: -123.434 flat angles P-C4'-P energy: -78.646 tors. eta vs tors. theta energy: -116.402 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: 9 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1414.684722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.684722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.684722 (E_RNA) where: Base-Base interactions energy: -895.955 where: short stacking energy: -420.861 Base-Backbone interact. energy: 6.781 local terms energy: -525.510296 where: bonds (distance) C4'-P energy: -124.646 bonds (distance) P-C4' energy: -122.122 flat angles C4'-P-C4' energy: -109.303 flat angles P-C4'-P energy: -86.481 tors. eta vs tors. theta energy: -82.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -1266.740718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.740718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.740718 (E_RNA) where: Base-Base interactions energy: -767.604 where: short stacking energy: -379.476 Base-Backbone interact. energy: -0.910 local terms energy: -498.226512 where: bonds (distance) C4'-P energy: -108.052 bonds (distance) P-C4' energy: -133.968 flat angles C4'-P-C4' energy: -116.012 flat angles P-C4'-P energy: -71.763 tors. eta vs tors. theta energy: -68.431 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: 1 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -749.505040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.505040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.505040 (E_RNA) where: Base-Base interactions energy: -375.262 where: short stacking energy: -227.901 Base-Backbone interact. energy: -1.488 local terms energy: -372.755901 where: bonds (distance) C4'-P energy: -119.101 bonds (distance) P-C4' energy: -115.090 flat angles C4'-P-C4' energy: -99.548 flat angles P-C4'-P energy: -43.063 tors. eta vs tors. theta energy: 4.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2633.202324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.202324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.202324 (E_RNA) where: Base-Base interactions energy: -1799.743 where: short stacking energy: -769.865 Base-Backbone interact. energy: -0.332 local terms energy: -833.126674 where: bonds (distance) C4'-P energy: -147.277 bonds (distance) P-C4' energy: -154.673 flat angles C4'-P-C4' energy: -182.327 flat angles P-C4'-P energy: -122.213 tors. eta vs tors. theta energy: -226.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2460.670202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.670202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.670202 (E_RNA) where: Base-Base interactions energy: -1697.186 where: short stacking energy: -704.683 Base-Backbone interact. energy: -2.558 local terms energy: -760.926638 where: bonds (distance) C4'-P energy: -132.225 bonds (distance) P-C4' energy: -160.186 flat angles C4'-P-C4' energy: -164.730 flat angles P-C4'-P energy: -96.841 tors. eta vs tors. theta energy: -206.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2322.797611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.797611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.797611 (E_RNA) where: Base-Base interactions energy: -1596.719 where: short stacking energy: -681.293 Base-Backbone interact. energy: -5.094 local terms energy: -720.984389 where: bonds (distance) C4'-P energy: -120.177 bonds (distance) P-C4' energy: -137.262 flat angles C4'-P-C4' energy: -158.005 flat angles P-C4'-P energy: -110.618 tors. eta vs tors. theta energy: -194.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2226.409158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.409158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.409158 (E_RNA) where: Base-Base interactions energy: -1532.667 where: short stacking energy: -637.592 Base-Backbone interact. energy: 3.063 local terms energy: -696.805481 where: bonds (distance) C4'-P energy: -124.208 bonds (distance) P-C4' energy: -142.577 flat angles C4'-P-C4' energy: -161.699 flat angles P-C4'-P energy: -103.286 tors. eta vs tors. theta energy: -165.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2101.520990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.520990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.520990 (E_RNA) where: Base-Base interactions energy: -1398.830 where: short stacking energy: -604.559 Base-Backbone interact. energy: -2.688 local terms energy: -700.002585 where: bonds (distance) C4'-P energy: -122.319 bonds (distance) P-C4' energy: -140.897 flat angles C4'-P-C4' energy: -151.142 flat angles P-C4'-P energy: -96.034 tors. eta vs tors. theta energy: -189.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1827.344724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.344724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.344724 (E_RNA) where: Base-Base interactions energy: -1196.296 where: short stacking energy: -526.338 Base-Backbone interact. energy: -0.772 local terms energy: -630.277456 where: bonds (distance) C4'-P energy: -122.014 bonds (distance) P-C4' energy: -152.641 flat angles C4'-P-C4' energy: -145.739 flat angles P-C4'-P energy: -79.248 tors. eta vs tors. theta energy: -130.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1476.623988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.623988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.623988 (E_RNA) where: Base-Base interactions energy: -916.283 where: short stacking energy: -424.973 Base-Backbone interact. energy: -4.332 local terms energy: -556.009107 where: bonds (distance) C4'-P energy: -117.202 bonds (distance) P-C4' energy: -136.698 flat angles C4'-P-C4' energy: -138.153 flat angles P-C4'-P energy: -69.522 tors. eta vs tors. theta energy: -94.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1498.595632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.595632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.595632 (E_RNA) where: Base-Base interactions energy: -968.254 where: short stacking energy: -447.235 Base-Backbone interact. energy: 2.228 local terms energy: -532.569872 where: bonds (distance) C4'-P energy: -103.839 bonds (distance) P-C4' energy: -126.675 flat angles C4'-P-C4' energy: -115.804 flat angles P-C4'-P energy: -87.109 tors. eta vs tors. theta energy: -99.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -1248.147188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.147188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.147188 (E_RNA) where: Base-Base interactions energy: -747.501 where: short stacking energy: -353.456 Base-Backbone interact. energy: 2.741 local terms energy: -503.387717 where: bonds (distance) C4'-P energy: -109.963 bonds (distance) P-C4' energy: -136.984 flat angles C4'-P-C4' energy: -111.909 flat angles P-C4'-P energy: -77.498 tors. eta vs tors. theta energy: -67.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -737.956010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.956010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.956010 (E_RNA) where: Base-Base interactions energy: -340.127 where: short stacking energy: -212.724 Base-Backbone interact. energy: -1.208 local terms energy: -396.621506 where: bonds (distance) C4'-P energy: -106.319 bonds (distance) P-C4' energy: -133.143 flat angles C4'-P-C4' energy: -112.412 flat angles P-C4'-P energy: -46.948 tors. eta vs tors. theta energy: 2.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -2641.975675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.975675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.975675 (E_RNA) where: Base-Base interactions energy: -1827.974 where: short stacking energy: -799.867 Base-Backbone interact. energy: 0.031 local terms energy: -815.126898 where: bonds (distance) C4'-P energy: -143.123 bonds (distance) P-C4' energy: -157.246 flat angles C4'-P-C4' energy: -165.742 flat angles P-C4'-P energy: -109.445 tors. eta vs tors. theta energy: -239.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.095 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2457.884430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.884430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.884430 (E_RNA) where: Base-Base interactions energy: -1672.573 where: short stacking energy: -731.535 Base-Backbone interact. energy: -1.442 local terms energy: -783.869946 where: bonds (distance) C4'-P energy: -139.632 bonds (distance) P-C4' energy: -155.646 flat angles C4'-P-C4' energy: -171.238 flat angles P-C4'-P energy: -96.761 tors. eta vs tors. theta energy: -220.593 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: 3, replica: 8 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2342.602428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.602428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.602428 (E_RNA) where: Base-Base interactions energy: -1591.514 where: short stacking energy: -691.606 Base-Backbone interact. energy: -1.339 local terms energy: -749.749366 where: bonds (distance) C4'-P energy: -133.859 bonds (distance) P-C4' energy: -138.561 flat angles C4'-P-C4' energy: -156.992 flat angles P-C4'-P energy: -117.925 tors. eta vs tors. theta energy: -202.412 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: 4 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2226.519757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.519757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.519757 (E_RNA) where: Base-Base interactions energy: -1560.452 where: short stacking energy: -653.799 Base-Backbone interact. energy: 0.349 local terms energy: -666.417510 where: bonds (distance) C4'-P energy: -117.695 bonds (distance) P-C4' energy: -140.313 flat angles C4'-P-C4' energy: -161.653 flat angles P-C4'-P energy: -87.660 tors. eta vs tors. theta energy: -159.097 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: 6 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2064.390454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.390454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.390454 (E_RNA) where: Base-Base interactions energy: -1368.571 where: short stacking energy: -612.306 Base-Backbone interact. energy: -0.478 local terms energy: -695.341086 where: bonds (distance) C4'-P energy: -129.965 bonds (distance) P-C4' energy: -144.678 flat angles C4'-P-C4' energy: -156.869 flat angles P-C4'-P energy: -92.811 tors. eta vs tors. theta energy: -171.017 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: 7 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1757.101105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.101105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.101105 (E_RNA) where: Base-Base interactions energy: -1146.141 where: short stacking energy: -541.300 Base-Backbone interact. energy: 2.739 local terms energy: -613.699522 where: bonds (distance) C4'-P energy: -123.088 bonds (distance) P-C4' energy: -126.646 flat angles C4'-P-C4' energy: -137.835 flat angles P-C4'-P energy: -92.051 tors. eta vs tors. theta energy: -134.080 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: 7, replica: 9 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1497.920885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.920885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.920885 (E_RNA) where: Base-Base interactions energy: -940.597 where: short stacking energy: -432.516 Base-Backbone interact. energy: -1.387 local terms energy: -555.936729 where: bonds (distance) C4'-P energy: -125.300 bonds (distance) P-C4' energy: -129.428 flat angles C4'-P-C4' energy: -123.762 flat angles P-C4'-P energy: -77.419 tors. eta vs tors. theta energy: -100.028 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: 5 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1470.848762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.848762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.848762 (E_RNA) where: Base-Base interactions energy: -935.827 where: short stacking energy: -449.204 Base-Backbone interact. energy: -1.710 local terms energy: -533.312099 where: bonds (distance) C4'-P energy: -110.946 bonds (distance) P-C4' energy: -123.363 flat angles C4'-P-C4' energy: -131.189 flat angles P-C4'-P energy: -70.493 tors. eta vs tors. theta energy: -97.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1217.749363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.749363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.749363 (E_RNA) where: Base-Base interactions energy: -757.565 where: short stacking energy: -361.575 Base-Backbone interact. energy: 3.296 local terms energy: -463.480538 where: bonds (distance) C4'-P energy: -94.018 bonds (distance) P-C4' energy: -122.052 flat angles C4'-P-C4' energy: -103.575 flat angles P-C4'-P energy: -75.785 tors. eta vs tors. theta energy: -68.051 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: 1 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -753.386257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.386257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.386257 (E_RNA) where: Base-Base interactions energy: -399.941 where: short stacking energy: -199.455 Base-Backbone interact. energy: -2.003 local terms energy: -351.442088 where: bonds (distance) C4'-P energy: -97.890 bonds (distance) P-C4' energy: -129.905 flat angles C4'-P-C4' energy: -96.132 flat angles P-C4'-P energy: -49.625 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: 3 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -2645.201995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.201995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.201995 (E_RNA) where: Base-Base interactions energy: -1830.552 where: short stacking energy: -785.214 Base-Backbone interact. energy: -0.214 local terms energy: -814.435611 where: bonds (distance) C4'-P energy: -138.989 bonds (distance) P-C4' energy: -153.837 flat angles C4'-P-C4' energy: -172.723 flat angles P-C4'-P energy: -107.910 tors. eta vs tors. theta energy: -240.976 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: 2 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2501.110565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.110565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.110565 (E_RNA) where: Base-Base interactions energy: -1754.528 where: short stacking energy: -761.958 Base-Backbone interact. energy: -2.158 local terms energy: -744.425278 where: bonds (distance) C4'-P energy: -143.094 bonds (distance) P-C4' energy: -131.687 flat angles C4'-P-C4' energy: -153.076 flat angles P-C4'-P energy: -104.895 tors. eta vs tors. theta energy: -211.673 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: 3, replica: 8 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2355.359386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.359386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.359386 (E_RNA) where: Base-Base interactions energy: -1617.810 where: short stacking energy: -710.281 Base-Backbone interact. energy: -1.079 local terms energy: -736.470307 where: bonds (distance) C4'-P energy: -134.274 bonds (distance) P-C4' energy: -137.996 flat angles C4'-P-C4' energy: -159.397 flat angles P-C4'-P energy: -100.912 tors. eta vs tors. theta energy: -203.892 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: 4 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2250.372946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.372946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.372946 (E_RNA) where: Base-Base interactions energy: -1541.935 where: short stacking energy: -641.808 Base-Backbone interact. energy: 3.713 local terms energy: -712.150923 where: bonds (distance) C4'-P energy: -132.932 bonds (distance) P-C4' energy: -150.367 flat angles C4'-P-C4' energy: -160.032 flat angles P-C4'-P energy: -93.954 tors. eta vs tors. theta energy: -174.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2129.674311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.674311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.674311 (E_RNA) where: Base-Base interactions energy: -1433.401 where: short stacking energy: -596.396 Base-Backbone interact. energy: -0.956 local terms energy: -695.317435 where: bonds (distance) C4'-P energy: -132.147 bonds (distance) P-C4' energy: -129.093 flat angles C4'-P-C4' energy: -161.159 flat angles P-C4'-P energy: -99.381 tors. eta vs tors. theta energy: -173.537 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: 6, replica: 7 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1759.334949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.334949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.334949 (E_RNA) where: Base-Base interactions energy: -1153.253 where: short stacking energy: -519.749 Base-Backbone interact. energy: 1.925 local terms energy: -608.006501 where: bonds (distance) C4'-P energy: -132.591 bonds (distance) P-C4' energy: -120.798 flat angles C4'-P-C4' energy: -132.488 flat angles P-C4'-P energy: -81.910 tors. eta vs tors. theta energy: -140.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1500.399357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.399357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.399357 (E_RNA) where: Base-Base interactions energy: -971.120 where: short stacking energy: -448.468 Base-Backbone interact. energy: -2.268 local terms energy: -527.011321 where: bonds (distance) C4'-P energy: -129.432 bonds (distance) P-C4' energy: -113.717 flat angles C4'-P-C4' energy: -134.192 flat angles P-C4'-P energy: -71.211 tors. eta vs tors. theta energy: -78.460 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: 5 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1557.609228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.609228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.609228 (E_RNA) where: Base-Base interactions energy: -1021.257 where: short stacking energy: -457.969 Base-Backbone interact. energy: -0.230 local terms energy: -536.122125 where: bonds (distance) C4'-P energy: -109.654 bonds (distance) P-C4' energy: -126.867 flat angles C4'-P-C4' energy: -124.052 flat angles P-C4'-P energy: -75.235 tors. eta vs tors. theta energy: -100.314 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: 242 Temperature: 1.300000 Total energy: -1241.351536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.351536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.351536 (E_RNA) where: Base-Base interactions energy: -767.958 where: short stacking energy: -357.151 Base-Backbone interact. energy: -0.914 local terms energy: -472.479000 where: bonds (distance) C4'-P energy: -110.649 bonds (distance) P-C4' energy: -118.342 flat angles C4'-P-C4' energy: -103.175 flat angles P-C4'-P energy: -82.602 tors. eta vs tors. theta energy: -57.711 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: 1 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -792.087479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.087479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.087479 (E_RNA) where: Base-Base interactions energy: -393.085 where: short stacking energy: -217.757 Base-Backbone interact. energy: 1.693 local terms energy: -400.695463 where: bonds (distance) C4'-P energy: -106.554 bonds (distance) P-C4' energy: -132.868 flat angles C4'-P-C4' energy: -107.395 flat angles P-C4'-P energy: -69.421 tors. eta vs tors. theta energy: 15.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -2636.875755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.875755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.875755 (E_RNA) where: Base-Base interactions energy: -1819.517 where: short stacking energy: -773.479 Base-Backbone interact. energy: -3.177 local terms energy: -814.703486 where: bonds (distance) C4'-P energy: -141.295 bonds (distance) P-C4' energy: -164.794 flat angles C4'-P-C4' energy: -172.548 flat angles P-C4'-P energy: -111.399 tors. eta vs tors. theta energy: -224.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.522 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2485.202728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.202728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.202728 (E_RNA) where: Base-Base interactions energy: -1698.648 where: short stacking energy: -715.701 Base-Backbone interact. energy: -1.237 local terms energy: -785.317361 where: bonds (distance) C4'-P energy: -141.214 bonds (distance) P-C4' energy: -147.006 flat angles C4'-P-C4' energy: -170.678 flat angles P-C4'-P energy: -115.564 tors. eta vs tors. theta energy: -210.855 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: 8 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2370.468933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.468933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.468933 (E_RNA) where: Base-Base interactions energy: -1622.178 where: short stacking energy: -715.256 Base-Backbone interact. energy: -1.508 local terms energy: -746.782882 where: bonds (distance) C4'-P energy: -131.592 bonds (distance) P-C4' energy: -146.528 flat angles C4'-P-C4' energy: -152.737 flat angles P-C4'-P energy: -109.223 tors. eta vs tors. theta energy: -206.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2257.962071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.962071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.962071 (E_RNA) where: Base-Base interactions energy: -1541.708 where: short stacking energy: -633.528 Base-Backbone interact. energy: 2.889 local terms energy: -719.583970 where: bonds (distance) C4'-P energy: -128.839 bonds (distance) P-C4' energy: -148.832 flat angles C4'-P-C4' energy: -163.497 flat angles P-C4'-P energy: -105.413 tors. eta vs tors. theta energy: -173.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.440 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2122.980824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.980824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.980824 (E_RNA) where: Base-Base interactions energy: -1416.741 where: short stacking energy: -625.804 Base-Backbone interact. energy: 3.600 local terms energy: -709.839845 where: bonds (distance) C4'-P energy: -135.250 bonds (distance) P-C4' energy: -124.470 flat angles C4'-P-C4' energy: -151.654 flat angles P-C4'-P energy: -113.758 tors. eta vs tors. theta energy: -184.707 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: 7 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1735.901183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.901183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.901183 (E_RNA) where: Base-Base interactions energy: -1137.244 where: short stacking energy: -511.009 Base-Backbone interact. energy: -0.547 local terms energy: -598.109858 where: bonds (distance) C4'-P energy: -119.680 bonds (distance) P-C4' energy: -134.701 flat angles C4'-P-C4' energy: -130.957 flat angles P-C4'-P energy: -81.374 tors. eta vs tors. theta energy: -131.398 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: 9 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1538.279301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.279301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.279301 (E_RNA) where: Base-Base interactions energy: -956.911 where: short stacking energy: -444.908 Base-Backbone interact. energy: -1.777 local terms energy: -579.591800 where: bonds (distance) C4'-P energy: -115.639 bonds (distance) P-C4' energy: -131.422 flat angles C4'-P-C4' energy: -141.343 flat angles P-C4'-P energy: -80.792 tors. eta vs tors. theta energy: -110.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1561.407993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.407993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.407993 (E_RNA) where: Base-Base interactions energy: -1025.044 where: short stacking energy: -444.425 Base-Backbone interact. energy: -2.015 local terms energy: -534.348763 where: bonds (distance) C4'-P energy: -134.150 bonds (distance) P-C4' energy: -126.796 flat angles C4'-P-C4' energy: -130.188 flat angles P-C4'-P energy: -54.908 tors. eta vs tors. theta energy: -88.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -1234.882039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.882039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.882039 (E_RNA) where: Base-Base interactions energy: -775.639 where: short stacking energy: -331.625 Base-Backbone interact. energy: 4.084 local terms energy: -463.326690 where: bonds (distance) C4'-P energy: -109.980 bonds (distance) P-C4' energy: -111.684 flat angles C4'-P-C4' energy: -126.093 flat angles P-C4'-P energy: -70.515 tors. eta vs tors. theta energy: -45.055 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: 1 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -712.515245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.515245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.515245 (E_RNA) where: Base-Base interactions energy: -356.052 where: short stacking energy: -205.379 Base-Backbone interact. energy: -3.945 local terms energy: -352.517700 where: bonds (distance) C4'-P energy: -106.644 bonds (distance) P-C4' energy: -107.699 flat angles C4'-P-C4' energy: -96.107 flat angles P-C4'-P energy: -55.121 tors. eta vs tors. theta energy: 13.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -2650.717666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.717666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.717666 (E_RNA) where: Base-Base interactions energy: -1813.144 where: short stacking energy: -791.241 Base-Backbone interact. energy: -1.031 local terms energy: -836.543139 where: bonds (distance) C4'-P energy: -144.758 bonds (distance) P-C4' energy: -145.882 flat angles C4'-P-C4' energy: -177.411 flat angles P-C4'-P energy: -134.077 tors. eta vs tors. theta energy: -234.416 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: 2, replica: 2 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2492.382477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.382477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.382477 (E_RNA) where: Base-Base interactions energy: -1736.143 where: short stacking energy: -725.186 Base-Backbone interact. energy: -5.219 local terms energy: -751.020266 where: bonds (distance) C4'-P energy: -133.656 bonds (distance) P-C4' energy: -146.602 flat angles C4'-P-C4' energy: -157.637 flat angles P-C4'-P energy: -106.111 tors. eta vs tors. theta energy: -207.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2343.946779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.946779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.946779 (E_RNA) where: Base-Base interactions energy: -1586.186 where: short stacking energy: -665.996 Base-Backbone interact. energy: -3.109 local terms energy: -754.651791 where: bonds (distance) C4'-P energy: -146.204 bonds (distance) P-C4' energy: -132.053 flat angles C4'-P-C4' energy: -167.592 flat angles P-C4'-P energy: -102.968 tors. eta vs tors. theta energy: -205.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2247.171426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.171426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.171426 (E_RNA) where: Base-Base interactions energy: -1573.383 where: short stacking energy: -628.185 Base-Backbone interact. energy: 3.330 local terms energy: -677.118519 where: bonds (distance) C4'-P energy: -129.304 bonds (distance) P-C4' energy: -131.036 flat angles C4'-P-C4' energy: -139.202 flat angles P-C4'-P energy: -105.355 tors. eta vs tors. theta energy: -172.222 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: 244 Temperature: 1.100000 Total energy: -2122.384253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.384253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.384253 (E_RNA) where: Base-Base interactions energy: -1467.641 where: short stacking energy: -626.413 Base-Backbone interact. energy: 2.661 local terms energy: -657.404577 where: bonds (distance) C4'-P energy: -132.642 bonds (distance) P-C4' energy: -129.082 flat angles C4'-P-C4' energy: -144.649 flat angles P-C4'-P energy: -82.128 tors. eta vs tors. theta energy: -168.903 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: 7 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1749.219908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.219908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.219908 (E_RNA) where: Base-Base interactions energy: -1148.216 where: short stacking energy: -510.108 Base-Backbone interact. energy: -1.250 local terms energy: -599.754601 where: bonds (distance) C4'-P energy: -125.891 bonds (distance) P-C4' energy: -128.824 flat angles C4'-P-C4' energy: -137.277 flat angles P-C4'-P energy: -73.307 tors. eta vs tors. theta energy: -134.455 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: 244 Temperature: 1.200000 Total energy: -1603.758386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.758386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.758386 (E_RNA) where: Base-Base interactions energy: -1041.027 where: short stacking energy: -495.863 Base-Backbone interact. energy: -0.762 local terms energy: -561.968712 where: bonds (distance) C4'-P energy: -117.343 bonds (distance) P-C4' energy: -146.296 flat angles C4'-P-C4' energy: -114.844 flat angles P-C4'-P energy: -73.035 tors. eta vs tors. theta energy: -110.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1442.061278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.061278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.061278 (E_RNA) where: Base-Base interactions energy: -899.603 where: short stacking energy: -383.639 Base-Backbone interact. energy: -0.643 local terms energy: -541.815839 where: bonds (distance) C4'-P energy: -132.257 bonds (distance) P-C4' energy: -114.796 flat angles C4'-P-C4' energy: -143.968 flat angles P-C4'-P energy: -86.080 tors. eta vs tors. theta energy: -64.714 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: 244 Temperature: 1.300000 Total energy: -1230.295242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.295242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.295242 (E_RNA) where: Base-Base interactions energy: -719.454 where: short stacking energy: -363.243 Base-Backbone interact. energy: -0.314 local terms energy: -510.526651 where: bonds (distance) C4'-P energy: -108.506 bonds (distance) P-C4' energy: -136.772 flat angles C4'-P-C4' energy: -121.505 flat angles P-C4'-P energy: -68.491 tors. eta vs tors. theta energy: -75.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -711.807979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.807979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.807979 (E_RNA) where: Base-Base interactions energy: -326.496 where: short stacking energy: -224.751 Base-Backbone interact. energy: 7.140 local terms energy: -392.452097 where: bonds (distance) C4'-P energy: -106.898 bonds (distance) P-C4' energy: -137.125 flat angles C4'-P-C4' energy: -88.030 flat angles P-C4'-P energy: -66.358 tors. eta vs tors. theta energy: 5.958 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: 1, replica: 3 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2632.508552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.508552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.508552 (E_RNA) where: Base-Base interactions energy: -1791.648 where: short stacking energy: -796.784 Base-Backbone interact. energy: -0.223 local terms energy: -840.638079 where: bonds (distance) C4'-P energy: -144.109 bonds (distance) P-C4' energy: -157.821 flat angles C4'-P-C4' energy: -175.217 flat angles P-C4'-P energy: -122.003 tors. eta vs tors. theta energy: -241.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2499.547221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.547221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.547221 (E_RNA) where: Base-Base interactions energy: -1725.798 where: short stacking energy: -722.186 Base-Backbone interact. energy: -1.660 local terms energy: -772.089403 where: bonds (distance) C4'-P energy: -145.695 bonds (distance) P-C4' energy: -132.983 flat angles C4'-P-C4' energy: -176.082 flat angles P-C4'-P energy: -99.329 tors. eta vs tors. theta energy: -218.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2323.497330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.497330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.497330 (E_RNA) where: Base-Base interactions energy: -1564.288 where: short stacking energy: -667.120 Base-Backbone interact. energy: -4.259 local terms energy: -754.950186 where: bonds (distance) C4'-P energy: -133.118 bonds (distance) P-C4' energy: -153.559 flat angles C4'-P-C4' energy: -167.837 flat angles P-C4'-P energy: -110.130 tors. eta vs tors. theta energy: -190.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2298.129888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.129888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.129888 (E_RNA) where: Base-Base interactions energy: -1611.435 where: short stacking energy: -653.439 Base-Backbone interact. energy: 0.319 local terms energy: -687.014107 where: bonds (distance) C4'-P energy: -124.901 bonds (distance) P-C4' energy: -149.763 flat angles C4'-P-C4' energy: -147.985 flat angles P-C4'-P energy: -90.413 tors. eta vs tors. theta energy: -173.951 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: 6 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2115.748782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.748782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.748782 (E_RNA) where: Base-Base interactions energy: -1426.313 where: short stacking energy: -621.035 Base-Backbone interact. energy: 1.578 local terms energy: -691.014538 where: bonds (distance) C4'-P energy: -133.130 bonds (distance) P-C4' energy: -135.216 flat angles C4'-P-C4' energy: -151.037 flat angles P-C4'-P energy: -111.657 tors. eta vs tors. theta energy: -159.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1881.120799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.120799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.120799 (E_RNA) where: Base-Base interactions energy: -1229.641 where: short stacking energy: -547.860 Base-Backbone interact. energy: -1.886 local terms energy: -649.593952 where: bonds (distance) C4'-P energy: -139.705 bonds (distance) P-C4' energy: -133.045 flat angles C4'-P-C4' energy: -154.213 flat angles P-C4'-P energy: -77.999 tors. eta vs tors. theta energy: -144.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1569.399747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.399747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.399747 (E_RNA) where: Base-Base interactions energy: -975.993 where: short stacking energy: -465.596 Base-Backbone interact. energy: -0.029 local terms energy: -593.377444 where: bonds (distance) C4'-P energy: -129.653 bonds (distance) P-C4' energy: -130.612 flat angles C4'-P-C4' energy: -137.962 flat angles P-C4'-P energy: -84.087 tors. eta vs tors. theta energy: -111.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1444.930183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.930183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.930183 (E_RNA) where: Base-Base interactions energy: -913.814 where: short stacking energy: -410.850 Base-Backbone interact. energy: 6.795 local terms energy: -537.911177 where: bonds (distance) C4'-P energy: -112.347 bonds (distance) P-C4' energy: -120.649 flat angles C4'-P-C4' energy: -128.881 flat angles P-C4'-P energy: -91.163 tors. eta vs tors. theta energy: -84.871 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: 9, replica: 10 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -1165.049540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.049540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.049540 (E_RNA) where: Base-Base interactions energy: -716.153 where: short stacking energy: -334.640 Base-Backbone interact. energy: 4.472 local terms energy: -453.368939 where: bonds (distance) C4'-P energy: -115.863 bonds (distance) P-C4' energy: -107.594 flat angles C4'-P-C4' energy: -104.314 flat angles P-C4'-P energy: -52.819 tors. eta vs tors. theta energy: -72.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -738.124804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.124804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.124804 (E_RNA) where: Base-Base interactions energy: -364.847 where: short stacking energy: -203.910 Base-Backbone interact. energy: 1.248 local terms energy: -374.525039 where: bonds (distance) C4'-P energy: -100.144 bonds (distance) P-C4' energy: -114.898 flat angles C4'-P-C4' energy: -107.257 flat angles P-C4'-P energy: -61.662 tors. eta vs tors. theta energy: 9.435 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: 3 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2623.218300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.218300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.218300 (E_RNA) where: Base-Base interactions energy: -1798.784 where: short stacking energy: -796.501 Base-Backbone interact. energy: -2.876 local terms energy: -821.558693 where: bonds (distance) C4'-P energy: -146.212 bonds (distance) P-C4' energy: -155.503 flat angles C4'-P-C4' energy: -167.764 flat angles P-C4'-P energy: -111.796 tors. eta vs tors. theta energy: -240.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2499.951087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.951087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.951087 (E_RNA) where: Base-Base interactions energy: -1710.716 where: short stacking energy: -728.303 Base-Backbone interact. energy: -0.325 local terms energy: -788.909545 where: bonds (distance) C4'-P energy: -136.322 bonds (distance) P-C4' energy: -145.587 flat angles C4'-P-C4' energy: -166.105 flat angles P-C4'-P energy: -115.872 tors. eta vs tors. theta energy: -225.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2315.180524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.180524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.180524 (E_RNA) where: Base-Base interactions energy: -1593.154 where: short stacking energy: -679.583 Base-Backbone interact. energy: -3.757 local terms energy: -718.269148 where: bonds (distance) C4'-P energy: -129.138 bonds (distance) P-C4' energy: -145.299 flat angles C4'-P-C4' energy: -155.578 flat angles P-C4'-P energy: -99.743 tors. eta vs tors. theta energy: -188.511 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: 4, replica: 4 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2283.256634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.256634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.256634 (E_RNA) where: Base-Base interactions energy: -1576.342 where: short stacking energy: -644.929 Base-Backbone interact. energy: 0.585 local terms energy: -707.499980 where: bonds (distance) C4'-P energy: -149.121 bonds (distance) P-C4' energy: -149.410 flat angles C4'-P-C4' energy: -151.296 flat angles P-C4'-P energy: -87.232 tors. eta vs tors. theta energy: -170.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2099.678118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.678118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.678118 (E_RNA) where: Base-Base interactions energy: -1445.222 where: short stacking energy: -626.820 Base-Backbone interact. energy: -1.033 local terms energy: -653.422507 where: bonds (distance) C4'-P energy: -109.258 bonds (distance) P-C4' energy: -148.252 flat angles C4'-P-C4' energy: -149.369 flat angles P-C4'-P energy: -78.463 tors. eta vs tors. theta energy: -168.080 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: 7 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1874.254428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.254428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.254428 (E_RNA) where: Base-Base interactions energy: -1245.380 where: short stacking energy: -567.711 Base-Backbone interact. energy: -2.672 local terms energy: -626.202330 where: bonds (distance) C4'-P energy: -134.828 bonds (distance) P-C4' energy: -140.474 flat angles C4'-P-C4' energy: -116.634 flat angles P-C4'-P energy: -92.795 tors. eta vs tors. theta energy: -141.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1480.512647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.512647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.512647 (E_RNA) where: Base-Base interactions energy: -926.239 where: short stacking energy: -408.682 Base-Backbone interact. energy: 1.586 local terms energy: -555.860566 where: bonds (distance) C4'-P energy: -123.865 bonds (distance) P-C4' energy: -123.214 flat angles C4'-P-C4' energy: -128.987 flat angles P-C4'-P energy: -84.854 tors. eta vs tors. theta energy: -94.941 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: 5 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1525.245599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.245599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.245599 (E_RNA) where: Base-Base interactions energy: -995.404 where: short stacking energy: -467.648 Base-Backbone interact. energy: 0.323 local terms energy: -530.164816 where: bonds (distance) C4'-P energy: -119.689 bonds (distance) P-C4' energy: -127.682 flat angles C4'-P-C4' energy: -121.284 flat angles P-C4'-P energy: -63.333 tors. eta vs tors. theta energy: -98.177 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: 9, replica: 10 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1253.151848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.151848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.151848 (E_RNA) where: Base-Base interactions energy: -753.661 where: short stacking energy: -363.655 Base-Backbone interact. energy: 0.730 local terms energy: -500.220805 where: bonds (distance) C4'-P energy: -117.897 bonds (distance) P-C4' energy: -109.886 flat angles C4'-P-C4' energy: -131.292 flat angles P-C4'-P energy: -65.466 tors. eta vs tors. theta energy: -75.679 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: 10, replica: 1 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -706.995981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.995981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.995981 (E_RNA) where: Base-Base interactions energy: -321.718 where: short stacking energy: -212.754 Base-Backbone interact. energy: 1.785 local terms energy: -387.062884 where: bonds (distance) C4'-P energy: -107.700 bonds (distance) P-C4' energy: -121.730 flat angles C4'-P-C4' energy: -102.194 flat angles P-C4'-P energy: -61.570 tors. eta vs tors. theta energy: 6.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2630.490131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.490131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.490131 (E_RNA) where: Base-Base interactions energy: -1805.779 where: short stacking energy: -802.299 Base-Backbone interact. energy: -1.568 local terms energy: -823.142623 where: bonds (distance) C4'-P energy: -155.937 bonds (distance) P-C4' energy: -140.616 flat angles C4'-P-C4' energy: -167.052 flat angles P-C4'-P energy: -117.352 tors. eta vs tors. theta energy: -242.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2519.754832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.754832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.754832 (E_RNA) where: Base-Base interactions energy: -1742.274 where: short stacking energy: -735.210 Base-Backbone interact. energy: -5.197 local terms energy: -772.283054 where: bonds (distance) C4'-P energy: -153.801 bonds (distance) P-C4' energy: -158.652 flat angles C4'-P-C4' energy: -158.085 flat angles P-C4'-P energy: -87.536 tors. eta vs tors. theta energy: -214.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2321.145533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.145533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.145533 (E_RNA) where: Base-Base interactions energy: -1593.667 where: short stacking energy: -685.009 Base-Backbone interact. energy: 2.611 local terms energy: -730.090167 where: bonds (distance) C4'-P energy: -137.257 bonds (distance) P-C4' energy: -148.811 flat angles C4'-P-C4' energy: -157.498 flat angles P-C4'-P energy: -100.075 tors. eta vs tors. theta energy: -186.449 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: 4 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2255.267006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.267006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.267006 (E_RNA) where: Base-Base interactions energy: -1547.938 where: short stacking energy: -627.857 Base-Backbone interact. energy: -1.524 local terms energy: -705.805209 where: bonds (distance) C4'-P energy: -140.847 bonds (distance) P-C4' energy: -149.573 flat angles C4'-P-C4' energy: -150.074 flat angles P-C4'-P energy: -102.927 tors. eta vs tors. theta energy: -162.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2021.653623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.653623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.653623 (E_RNA) where: Base-Base interactions energy: -1383.378 where: short stacking energy: -568.545 Base-Backbone interact. energy: 0.050 local terms energy: -638.325796 where: bonds (distance) C4'-P energy: -110.874 bonds (distance) P-C4' energy: -134.722 flat angles C4'-P-C4' energy: -138.706 flat angles P-C4'-P energy: -96.640 tors. eta vs tors. theta energy: -157.384 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: 7 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1835.828576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.828576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.828576 (E_RNA) where: Base-Base interactions energy: -1184.010 where: short stacking energy: -542.792 Base-Backbone interact. energy: -6.015 local terms energy: -645.803225 where: bonds (distance) C4'-P energy: -116.700 bonds (distance) P-C4' energy: -137.072 flat angles C4'-P-C4' energy: -146.259 flat angles P-C4'-P energy: -101.762 tors. eta vs tors. theta energy: -144.010 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: 9 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1487.652471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.652471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.652471 (E_RNA) where: Base-Base interactions energy: -940.298 where: short stacking energy: -423.536 Base-Backbone interact. energy: 0.157 local terms energy: -547.511780 where: bonds (distance) C4'-P energy: -122.627 bonds (distance) P-C4' energy: -138.734 flat angles C4'-P-C4' energy: -129.929 flat angles P-C4'-P energy: -72.918 tors. eta vs tors. theta energy: -83.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1478.018059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.018059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.018059 (E_RNA) where: Base-Base interactions energy: -931.950 where: short stacking energy: -408.348 Base-Backbone interact. energy: 0.051 local terms energy: -546.118939 where: bonds (distance) C4'-P energy: -132.070 bonds (distance) P-C4' energy: -130.302 flat angles C4'-P-C4' energy: -131.308 flat angles P-C4'-P energy: -70.152 tors. eta vs tors. theta energy: -82.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1232.045690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.045690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.045690 (E_RNA) where: Base-Base interactions energy: -756.603 where: short stacking energy: -383.931 Base-Backbone interact. energy: -1.245 local terms energy: -474.198303 where: bonds (distance) C4'-P energy: -109.697 bonds (distance) P-C4' energy: -117.862 flat angles C4'-P-C4' energy: -116.896 flat angles P-C4'-P energy: -66.655 tors. eta vs tors. theta energy: -63.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -736.702764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.702764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.702764 (E_RNA) where: Base-Base interactions energy: -366.472 where: short stacking energy: -218.813 Base-Backbone interact. energy: 1.616 local terms energy: -371.847125 where: bonds (distance) C4'-P energy: -121.156 bonds (distance) P-C4' energy: -124.307 flat angles C4'-P-C4' energy: -89.841 flat angles P-C4'-P energy: -50.762 tors. eta vs tors. theta energy: 14.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -2621.287704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.287704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.287704 (E_RNA) where: Base-Base interactions energy: -1773.684 where: short stacking energy: -778.411 Base-Backbone interact. energy: -2.739 local terms energy: -844.898117 where: bonds (distance) C4'-P energy: -145.936 bonds (distance) P-C4' energy: -153.279 flat angles C4'-P-C4' energy: -182.643 flat angles P-C4'-P energy: -115.984 tors. eta vs tors. theta energy: -247.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.034 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2531.836403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.836403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.836403 (E_RNA) where: Base-Base interactions energy: -1737.737 where: short stacking energy: -739.953 Base-Backbone interact. energy: -1.344 local terms energy: -792.755760 where: bonds (distance) C4'-P energy: -138.644 bonds (distance) P-C4' energy: -146.249 flat angles C4'-P-C4' energy: -176.562 flat angles P-C4'-P energy: -113.311 tors. eta vs tors. theta energy: -217.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2348.961329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.961329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.961329 (E_RNA) where: Base-Base interactions energy: -1605.436 where: short stacking energy: -692.407 Base-Backbone interact. energy: -2.685 local terms energy: -740.840240 where: bonds (distance) C4'-P energy: -112.065 bonds (distance) P-C4' energy: -163.194 flat angles C4'-P-C4' energy: -151.937 flat angles P-C4'-P energy: -110.502 tors. eta vs tors. theta energy: -203.142 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: 4 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2262.403256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.403256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.403256 (E_RNA) where: Base-Base interactions energy: -1544.611 where: short stacking energy: -625.705 Base-Backbone interact. energy: 0.385 local terms energy: -718.176370 where: bonds (distance) C4'-P energy: -132.069 bonds (distance) P-C4' energy: -146.150 flat angles C4'-P-C4' energy: -163.513 flat angles P-C4'-P energy: -113.176 tors. eta vs tors. theta energy: -163.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2076.902417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.902417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.902417 (E_RNA) where: Base-Base interactions energy: -1393.494 where: short stacking energy: -605.697 Base-Backbone interact. energy: -2.161 local terms energy: -681.246964 where: bonds (distance) C4'-P energy: -121.413 bonds (distance) P-C4' energy: -131.535 flat angles C4'-P-C4' energy: -163.621 flat angles P-C4'-P energy: -99.463 tors. eta vs tors. theta energy: -165.214 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: 7 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1813.459334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.459334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.459334 (E_RNA) where: Base-Base interactions energy: -1193.471 where: short stacking energy: -525.063 Base-Backbone interact. energy: -2.684 local terms energy: -617.304913 where: bonds (distance) C4'-P energy: -119.274 bonds (distance) P-C4' energy: -122.784 flat angles C4'-P-C4' energy: -155.526 flat angles P-C4'-P energy: -86.128 tors. eta vs tors. theta energy: -133.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1545.795103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.795103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.795103 (E_RNA) where: Base-Base interactions energy: -1003.113 where: short stacking energy: -408.773 Base-Backbone interact. energy: -0.925 local terms energy: -541.757221 where: bonds (distance) C4'-P energy: -139.154 bonds (distance) P-C4' energy: -119.355 flat angles C4'-P-C4' energy: -137.843 flat angles P-C4'-P energy: -62.075 tors. eta vs tors. theta energy: -83.331 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: 8, replica: 5 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1512.554772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.554772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.554772 (E_RNA) where: Base-Base interactions energy: -980.193 where: short stacking energy: -460.718 Base-Backbone interact. energy: 6.213 local terms energy: -538.575080 where: bonds (distance) C4'-P energy: -125.734 bonds (distance) P-C4' energy: -119.308 flat angles C4'-P-C4' energy: -105.201 flat angles P-C4'-P energy: -79.873 tors. eta vs tors. theta energy: -108.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -1259.812695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.812695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.812695 (E_RNA) where: Base-Base interactions energy: -784.130 where: short stacking energy: -360.997 Base-Backbone interact. energy: -1.523 local terms energy: -474.159517 where: bonds (distance) C4'-P energy: -116.652 bonds (distance) P-C4' energy: -134.955 flat angles C4'-P-C4' energy: -104.252 flat angles P-C4'-P energy: -64.012 tors. eta vs tors. theta energy: -54.289 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: 1 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -760.473939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.473939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.473939 (E_RNA) where: Base-Base interactions energy: -364.221 where: short stacking energy: -205.488 Base-Backbone interact. energy: 8.067 local terms energy: -404.319586 where: bonds (distance) C4'-P energy: -117.970 bonds (distance) P-C4' energy: -114.854 flat angles C4'-P-C4' energy: -107.148 flat angles P-C4'-P energy: -65.614 tors. eta vs tors. theta energy: 1.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2640.679454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.679454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.679454 (E_RNA) where: Base-Base interactions energy: -1801.645 where: short stacking energy: -802.162 Base-Backbone interact. energy: -5.680 local terms energy: -833.354470 where: bonds (distance) C4'-P energy: -143.353 bonds (distance) P-C4' energy: -157.570 flat angles C4'-P-C4' energy: -171.964 flat angles P-C4'-P energy: -116.300 tors. eta vs tors. theta energy: -244.167 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: 2 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2497.646325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.646325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.646325 (E_RNA) where: Base-Base interactions energy: -1720.028 where: short stacking energy: -737.610 Base-Backbone interact. energy: -3.861 local terms energy: -773.756849 where: bonds (distance) C4'-P energy: -148.016 bonds (distance) P-C4' energy: -147.346 flat angles C4'-P-C4' energy: -167.872 flat angles P-C4'-P energy: -87.741 tors. eta vs tors. theta energy: -222.781 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: 8 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2340.602334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.602334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.602334 (E_RNA) where: Base-Base interactions energy: -1591.716 where: short stacking energy: -673.426 Base-Backbone interact. energy: -0.198 local terms energy: -748.688625 where: bonds (distance) C4'-P energy: -140.155 bonds (distance) P-C4' energy: -151.806 flat angles C4'-P-C4' energy: -154.943 flat angles P-C4'-P energy: -102.758 tors. eta vs tors. theta energy: -199.027 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: 4 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2265.581738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.581738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.581738 (E_RNA) where: Base-Base interactions energy: -1578.145 where: short stacking energy: -651.076 Base-Backbone interact. energy: -0.675 local terms energy: -686.761295 where: bonds (distance) C4'-P energy: -129.283 bonds (distance) P-C4' energy: -133.981 flat angles C4'-P-C4' energy: -163.077 flat angles P-C4'-P energy: -99.555 tors. eta vs tors. theta energy: -160.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2075.349624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.349624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.349624 (E_RNA) where: Base-Base interactions energy: -1403.047 where: short stacking energy: -642.604 Base-Backbone interact. energy: -2.401 local terms energy: -669.901446 where: bonds (distance) C4'-P energy: -126.772 bonds (distance) P-C4' energy: -125.276 flat angles C4'-P-C4' energy: -140.306 flat angles P-C4'-P energy: -99.324 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: 7 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1731.857264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.857264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.857264 (E_RNA) where: Base-Base interactions energy: -1109.528 where: short stacking energy: -480.378 Base-Backbone interact. energy: -1.751 local terms energy: -620.578293 where: bonds (distance) C4'-P energy: -130.621 bonds (distance) P-C4' energy: -146.414 flat angles C4'-P-C4' energy: -143.366 flat angles P-C4'-P energy: -78.821 tors. eta vs tors. theta energy: -121.355 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: 7, replica: 9 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1610.113478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.113478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.113478 (E_RNA) where: Base-Base interactions energy: -1052.289 where: short stacking energy: -496.632 Base-Backbone interact. energy: -0.102 local terms energy: -559.692187 where: bonds (distance) C4'-P energy: -120.198 bonds (distance) P-C4' energy: -127.882 flat angles C4'-P-C4' energy: -123.192 flat angles P-C4'-P energy: -73.779 tors. eta vs tors. theta energy: -114.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.970 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1472.348192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.348192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.348192 (E_RNA) where: Base-Base interactions energy: -941.788 where: short stacking energy: -453.273 Base-Backbone interact. energy: -0.498 local terms energy: -530.062027 where: bonds (distance) C4'-P energy: -100.269 bonds (distance) P-C4' energy: -113.365 flat angles C4'-P-C4' energy: -143.164 flat angles P-C4'-P energy: -74.873 tors. eta vs tors. theta energy: -98.391 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: 9, replica: 10 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1260.566736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.566736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.566736 (E_RNA) where: Base-Base interactions energy: -755.809 where: short stacking energy: -357.220 Base-Backbone interact. energy: 2.236 local terms energy: -506.993483 where: bonds (distance) C4'-P energy: -110.330 bonds (distance) P-C4' energy: -125.460 flat angles C4'-P-C4' energy: -125.174 flat angles P-C4'-P energy: -76.464 tors. eta vs tors. theta energy: -69.566 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: 1 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -721.979595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.979595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.979595 (E_RNA) where: Base-Base interactions energy: -350.619 where: short stacking energy: -197.150 Base-Backbone interact. energy: 8.123 local terms energy: -379.484082 where: bonds (distance) C4'-P energy: -116.404 bonds (distance) P-C4' energy: -112.335 flat angles C4'-P-C4' energy: -95.053 flat angles P-C4'-P energy: -71.334 tors. eta vs tors. theta energy: 15.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -2640.689106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.689106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.689106 (E_RNA) where: Base-Base interactions energy: -1814.693 where: short stacking energy: -805.167 Base-Backbone interact. energy: 0.514 local terms energy: -826.509593 where: bonds (distance) C4'-P energy: -134.648 bonds (distance) P-C4' energy: -155.665 flat angles C4'-P-C4' energy: -172.532 flat angles P-C4'-P energy: -125.951 tors. eta vs tors. theta energy: -237.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2512.303996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.303996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.303996 (E_RNA) where: Base-Base interactions energy: -1744.785 where: short stacking energy: -746.617 Base-Backbone interact. energy: -0.507 local terms energy: -767.012419 where: bonds (distance) C4'-P energy: -130.217 bonds (distance) P-C4' energy: -143.389 flat angles C4'-P-C4' energy: -174.335 flat angles P-C4'-P energy: -100.695 tors. eta vs tors. theta energy: -218.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2329.228145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.228145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.228145 (E_RNA) where: Base-Base interactions energy: -1590.595 where: short stacking energy: -681.297 Base-Backbone interact. energy: -4.755 local terms energy: -733.877873 where: bonds (distance) C4'-P energy: -140.890 bonds (distance) P-C4' energy: -121.575 flat angles C4'-P-C4' energy: -175.377 flat angles P-C4'-P energy: -112.496 tors. eta vs tors. theta energy: -183.540 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: 4 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2237.384921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.384921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.384921 (E_RNA) where: Base-Base interactions energy: -1540.711 where: short stacking energy: -615.261 Base-Backbone interact. energy: -3.107 local terms energy: -693.566971 where: bonds (distance) C4'-P energy: -150.348 bonds (distance) P-C4' energy: -149.526 flat angles C4'-P-C4' energy: -151.855 flat angles P-C4'-P energy: -90.007 tors. eta vs tors. theta energy: -151.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2100.039107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.039107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.039107 (E_RNA) where: Base-Base interactions energy: -1430.122 where: short stacking energy: -608.053 Base-Backbone interact. energy: -1.523 local terms energy: -668.394425 where: bonds (distance) C4'-P energy: -109.677 bonds (distance) P-C4' energy: -139.642 flat angles C4'-P-C4' energy: -154.228 flat angles P-C4'-P energy: -91.836 tors. eta vs tors. theta energy: -173.012 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: 7 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1787.603852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.603852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.603852 (E_RNA) where: Base-Base interactions energy: -1145.655 where: short stacking energy: -527.991 Base-Backbone interact. energy: -0.967 local terms energy: -640.981609 where: bonds (distance) C4'-P energy: -132.661 bonds (distance) P-C4' energy: -141.854 flat angles C4'-P-C4' energy: -153.105 flat angles P-C4'-P energy: -87.600 tors. eta vs tors. theta energy: -125.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1588.491001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.491001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.491001 (E_RNA) where: Base-Base interactions energy: -1021.928 where: short stacking energy: -444.253 Base-Backbone interact. energy: 0.478 local terms energy: -567.041118 where: bonds (distance) C4'-P energy: -127.491 bonds (distance) P-C4' energy: -122.714 flat angles C4'-P-C4' energy: -135.959 flat angles P-C4'-P energy: -87.604 tors. eta vs tors. theta energy: -93.274 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: 9 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1456.029544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.029544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.029544 (E_RNA) where: Base-Base interactions energy: -925.411 where: short stacking energy: -418.306 Base-Backbone interact. energy: -1.768 local terms energy: -528.851119 where: bonds (distance) C4'-P energy: -101.476 bonds (distance) P-C4' energy: -144.190 flat angles C4'-P-C4' energy: -118.758 flat angles P-C4'-P energy: -68.892 tors. eta vs tors. theta energy: -95.535 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: 250 Temperature: 1.300000 Total energy: -1237.722236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.722236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.722236 (E_RNA) where: Base-Base interactions energy: -732.559 where: short stacking energy: -313.528 Base-Backbone interact. energy: -0.285 local terms energy: -504.878157 where: bonds (distance) C4'-P energy: -122.226 bonds (distance) P-C4' energy: -131.221 flat angles C4'-P-C4' energy: -107.486 flat angles P-C4'-P energy: -89.435 tors. eta vs tors. theta energy: -54.511 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: 1 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -759.499576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.499576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.499576 (E_RNA) where: Base-Base interactions energy: -340.890 where: short stacking energy: -215.001 Base-Backbone interact. energy: -3.999 local terms energy: -414.610108 where: bonds (distance) C4'-P energy: -135.855 bonds (distance) P-C4' energy: -138.012 flat angles C4'-P-C4' energy: -88.333 flat angles P-C4'-P energy: -63.260 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: 1, replica: 3 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -2620.080107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.080107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.080107 (E_RNA) where: Base-Base interactions energy: -1794.952 where: short stacking energy: -805.738 Base-Backbone interact. energy: -3.219 local terms energy: -821.908711 where: bonds (distance) C4'-P energy: -154.072 bonds (distance) P-C4' energy: -144.618 flat angles C4'-P-C4' energy: -165.700 flat angles P-C4'-P energy: -123.958 tors. eta vs tors. theta energy: -233.560 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: 2 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2513.430755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.430755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.430755 (E_RNA) where: Base-Base interactions energy: -1722.095 where: short stacking energy: -730.320 Base-Backbone interact. energy: -3.817 local terms energy: -787.518888 where: bonds (distance) C4'-P energy: -149.891 bonds (distance) P-C4' energy: -149.487 flat angles C4'-P-C4' energy: -169.329 flat angles P-C4'-P energy: -109.174 tors. eta vs tors. theta energy: -209.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2332.494556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.494556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.494556 (E_RNA) where: Base-Base interactions energy: -1560.382 where: short stacking energy: -669.643 Base-Backbone interact. energy: -4.940 local terms energy: -767.173043 where: bonds (distance) C4'-P energy: -144.877 bonds (distance) P-C4' energy: -157.001 flat angles C4'-P-C4' energy: -157.883 flat angles P-C4'-P energy: -100.665 tors. eta vs tors. theta energy: -206.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2248.101994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.101994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.101994 (E_RNA) where: Base-Base interactions energy: -1547.540 where: short stacking energy: -634.882 Base-Backbone interact. energy: -4.105 local terms energy: -696.456755 where: bonds (distance) C4'-P energy: -141.389 bonds (distance) P-C4' energy: -131.459 flat angles C4'-P-C4' energy: -157.580 flat angles P-C4'-P energy: -104.268 tors. eta vs tors. theta energy: -161.761 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: 251 Temperature: 1.100000 Total energy: -2074.585536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.585536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.585536 (E_RNA) where: Base-Base interactions energy: -1432.406 where: short stacking energy: -608.027 Base-Backbone interact. energy: 2.272 local terms energy: -644.451348 where: bonds (distance) C4'-P energy: -131.573 bonds (distance) P-C4' energy: -123.464 flat angles C4'-P-C4' energy: -134.485 flat angles P-C4'-P energy: -95.131 tors. eta vs tors. theta energy: -159.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1786.765654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.765654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.765654 (E_RNA) where: Base-Base interactions energy: -1169.893 where: short stacking energy: -519.426 Base-Backbone interact. energy: -1.627 local terms energy: -615.245346 where: bonds (distance) C4'-P energy: -128.337 bonds (distance) P-C4' energy: -131.580 flat angles C4'-P-C4' energy: -145.100 flat angles P-C4'-P energy: -89.518 tors. eta vs tors. theta energy: -120.711 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: 5 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1558.864164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.864164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.864164 (E_RNA) where: Base-Base interactions energy: -991.391 where: short stacking energy: -448.777 Base-Backbone interact. energy: 0.119 local terms energy: -567.592666 where: bonds (distance) C4'-P energy: -104.630 bonds (distance) P-C4' energy: -130.864 flat angles C4'-P-C4' energy: -135.739 flat angles P-C4'-P energy: -97.424 tors. eta vs tors. theta energy: -98.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1458.039172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.039172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.039172 (E_RNA) where: Base-Base interactions energy: -911.516 where: short stacking energy: -391.750 Base-Backbone interact. energy: -0.842 local terms energy: -545.681203 where: bonds (distance) C4'-P energy: -113.794 bonds (distance) P-C4' energy: -126.127 flat angles C4'-P-C4' energy: -119.956 flat angles P-C4'-P energy: -93.812 tors. eta vs tors. theta energy: -91.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -1210.368667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.368667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.368667 (E_RNA) where: Base-Base interactions energy: -745.854 where: short stacking energy: -337.649 Base-Backbone interact. energy: 6.543 local terms energy: -471.057616 where: bonds (distance) C4'-P energy: -115.321 bonds (distance) P-C4' energy: -101.368 flat angles C4'-P-C4' energy: -133.447 flat angles P-C4'-P energy: -67.403 tors. eta vs tors. theta energy: -53.517 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: 1 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -670.004859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.004859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.004859 (E_RNA) where: Base-Base interactions energy: -304.913 where: short stacking energy: -198.065 Base-Backbone interact. energy: -2.840 local terms energy: -362.251559 where: bonds (distance) C4'-P energy: -112.215 bonds (distance) P-C4' energy: -127.028 flat angles C4'-P-C4' energy: -100.934 flat angles P-C4'-P energy: -37.602 tors. eta vs tors. theta energy: 15.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2626.213744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.213744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.213744 (E_RNA) where: Base-Base interactions energy: -1817.333 where: short stacking energy: -761.966 Base-Backbone interact. energy: -0.594 local terms energy: -808.287293 where: bonds (distance) C4'-P energy: -135.428 bonds (distance) P-C4' energy: -161.571 flat angles C4'-P-C4' energy: -166.425 flat angles P-C4'-P energy: -111.761 tors. eta vs tors. theta energy: -233.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2499.602113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.602113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.602113 (E_RNA) where: Base-Base interactions energy: -1711.291 where: short stacking energy: -724.280 Base-Backbone interact. energy: -4.187 local terms energy: -784.124129 where: bonds (distance) C4'-P energy: -127.341 bonds (distance) P-C4' energy: -161.796 flat angles C4'-P-C4' energy: -180.293 flat angles P-C4'-P energy: -103.277 tors. eta vs tors. theta energy: -211.417 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: 4 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2346.198351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.198351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.198351 (E_RNA) where: Base-Base interactions energy: -1634.089 where: short stacking energy: -665.441 Base-Backbone interact. energy: -1.373 local terms energy: -710.736752 where: bonds (distance) C4'-P energy: -126.877 bonds (distance) P-C4' energy: -146.326 flat angles C4'-P-C4' energy: -157.448 flat angles P-C4'-P energy: -95.110 tors. eta vs tors. theta energy: -184.975 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: 4, replica: 8 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2262.982382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.982382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.982382 (E_RNA) where: Base-Base interactions energy: -1558.392 where: short stacking energy: -655.223 Base-Backbone interact. energy: 0.049 local terms energy: -704.638967 where: bonds (distance) C4'-P energy: -131.547 bonds (distance) P-C4' energy: -137.879 flat angles C4'-P-C4' energy: -155.400 flat angles P-C4'-P energy: -93.680 tors. eta vs tors. theta energy: -186.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2071.241541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.241541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.241541 (E_RNA) where: Base-Base interactions energy: -1408.034 where: short stacking energy: -603.349 Base-Backbone interact. energy: 2.668 local terms energy: -665.875861 where: bonds (distance) C4'-P energy: -139.161 bonds (distance) P-C4' energy: -133.297 flat angles C4'-P-C4' energy: -140.236 flat angles P-C4'-P energy: -103.768 tors. eta vs tors. theta energy: -149.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1812.301150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.301150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.301150 (E_RNA) where: Base-Base interactions energy: -1175.420 where: short stacking energy: -520.225 Base-Backbone interact. energy: -1.189 local terms energy: -635.691980 where: bonds (distance) C4'-P energy: -132.469 bonds (distance) P-C4' energy: -156.338 flat angles C4'-P-C4' energy: -142.126 flat angles P-C4'-P energy: -84.643 tors. eta vs tors. theta energy: -120.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1606.155184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.155184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.155184 (E_RNA) where: Base-Base interactions energy: -1032.510 where: short stacking energy: -473.903 Base-Backbone interact. energy: -2.051 local terms energy: -571.593755 where: bonds (distance) C4'-P energy: -108.110 bonds (distance) P-C4' energy: -143.499 flat angles C4'-P-C4' energy: -133.601 flat angles P-C4'-P energy: -88.720 tors. eta vs tors. theta energy: -97.664 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: 8, replica: 9 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1387.015673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.015673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.015673 (E_RNA) where: Base-Base interactions energy: -880.737 where: short stacking energy: -418.181 Base-Backbone interact. energy: 0.617 local terms energy: -506.896194 where: bonds (distance) C4'-P energy: -111.410 bonds (distance) P-C4' energy: -119.354 flat angles C4'-P-C4' energy: -119.657 flat angles P-C4'-P energy: -65.937 tors. eta vs tors. theta energy: -90.538 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: 252 Temperature: 1.300000 Total energy: -1247.384279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.384279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.384279 (E_RNA) where: Base-Base interactions energy: -765.153 where: short stacking energy: -374.154 Base-Backbone interact. energy: -3.356 local terms energy: -478.875669 where: bonds (distance) C4'-P energy: -108.267 bonds (distance) P-C4' energy: -127.268 flat angles C4'-P-C4' energy: -114.691 flat angles P-C4'-P energy: -55.529 tors. eta vs tors. theta energy: -73.121 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: 10, replica: 1 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -685.052331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.052331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.052331 (E_RNA) where: Base-Base interactions energy: -300.188 where: short stacking energy: -192.109 Base-Backbone interact. energy: -1.057 local terms energy: -383.806757 where: bonds (distance) C4'-P energy: -105.372 bonds (distance) P-C4' energy: -109.764 flat angles C4'-P-C4' energy: -114.872 flat angles P-C4'-P energy: -60.669 tors. eta vs tors. theta energy: 6.871 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: 1, replica: 3 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -2624.059750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.059750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.059750 (E_RNA) where: Base-Base interactions energy: -1800.183 where: short stacking energy: -789.116 Base-Backbone interact. energy: -2.991 local terms energy: -820.885763 where: bonds (distance) C4'-P energy: -147.447 bonds (distance) P-C4' energy: -160.144 flat angles C4'-P-C4' energy: -171.576 flat angles P-C4'-P energy: -105.153 tors. eta vs tors. theta energy: -236.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2487.621046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.621046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.621046 (E_RNA) where: Base-Base interactions energy: -1729.947 where: short stacking energy: -740.923 Base-Backbone interact. energy: 0.538 local terms energy: -758.211941 where: bonds (distance) C4'-P energy: -146.597 bonds (distance) P-C4' energy: -143.995 flat angles C4'-P-C4' energy: -171.887 flat angles P-C4'-P energy: -86.675 tors. eta vs tors. theta energy: -209.058 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: 4 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2363.103212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.103212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.103212 (E_RNA) where: Base-Base interactions energy: -1646.657 where: short stacking energy: -689.507 Base-Backbone interact. energy: 0.747 local terms energy: -717.192637 where: bonds (distance) C4'-P energy: -149.540 bonds (distance) P-C4' energy: -154.617 flat angles C4'-P-C4' energy: -150.336 flat angles P-C4'-P energy: -88.043 tors. eta vs tors. theta energy: -174.656 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: 253 Temperature: 1.050000 Total energy: -2287.650695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.650695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.650695 (E_RNA) where: Base-Base interactions energy: -1558.809 where: short stacking energy: -664.700 Base-Backbone interact. energy: -0.753 local terms energy: -728.088764 where: bonds (distance) C4'-P energy: -145.205 bonds (distance) P-C4' energy: -131.293 flat angles C4'-P-C4' energy: -162.521 flat angles P-C4'-P energy: -93.628 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: 5, replica: 6 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2070.150165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.150165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.150165 (E_RNA) where: Base-Base interactions energy: -1440.561 where: short stacking energy: -610.359 Base-Backbone interact. energy: -1.109 local terms energy: -628.479589 where: bonds (distance) C4'-P energy: -132.449 bonds (distance) P-C4' energy: -125.915 flat angles C4'-P-C4' energy: -152.680 flat angles P-C4'-P energy: -78.020 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: 6, replica: 7 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1814.840872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.840872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.840872 (E_RNA) where: Base-Base interactions energy: -1180.572 where: short stacking energy: -528.519 Base-Backbone interact. energy: -2.954 local terms energy: -631.314282 where: bonds (distance) C4'-P energy: -109.261 bonds (distance) P-C4' energy: -144.952 flat angles C4'-P-C4' energy: -152.745 flat angles P-C4'-P energy: -91.128 tors. eta vs tors. theta energy: -133.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1669.416721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.416721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.416721 (E_RNA) where: Base-Base interactions energy: -1118.736 where: short stacking energy: -479.792 Base-Backbone interact. energy: -0.101 local terms energy: -550.579394 where: bonds (distance) C4'-P energy: -125.015 bonds (distance) P-C4' energy: -109.425 flat angles C4'-P-C4' energy: -122.015 flat angles P-C4'-P energy: -81.277 tors. eta vs tors. theta energy: -112.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1310.922602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.922602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.922602 (E_RNA) where: Base-Base interactions energy: -819.437 where: short stacking energy: -345.497 Base-Backbone interact. energy: -1.018 local terms energy: -490.467214 where: bonds (distance) C4'-P energy: -119.700 bonds (distance) P-C4' energy: -139.110 flat angles C4'-P-C4' energy: -120.091 flat angles P-C4'-P energy: -79.578 tors. eta vs tors. theta energy: -31.989 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: 253 Temperature: 1.300000 Total energy: -1177.615935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.615935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.615935 (E_RNA) where: Base-Base interactions energy: -705.115 where: short stacking energy: -340.066 Base-Backbone interact. energy: 1.248 local terms energy: -473.749249 where: bonds (distance) C4'-P energy: -115.464 bonds (distance) P-C4' energy: -123.864 flat angles C4'-P-C4' energy: -127.600 flat angles P-C4'-P energy: -50.567 tors. eta vs tors. theta energy: -56.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -719.942417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.942417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.942417 (E_RNA) where: Base-Base interactions energy: -306.682 where: short stacking energy: -194.095 Base-Backbone interact. energy: 2.259 local terms energy: -415.519614 where: bonds (distance) C4'-P energy: -114.755 bonds (distance) P-C4' energy: -133.259 flat angles C4'-P-C4' energy: -109.578 flat angles P-C4'-P energy: -64.861 tors. eta vs tors. theta energy: 6.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2643.525722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.525722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.525722 (E_RNA) where: Base-Base interactions energy: -1834.384 where: short stacking energy: -801.885 Base-Backbone interact. energy: -2.872 local terms energy: -806.268921 where: bonds (distance) C4'-P energy: -142.438 bonds (distance) P-C4' energy: -148.634 flat angles C4'-P-C4' energy: -167.995 flat angles P-C4'-P energy: -106.406 tors. eta vs tors. theta energy: -240.796 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: 2 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2520.880104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.880104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.880104 (E_RNA) where: Base-Base interactions energy: -1741.782 where: short stacking energy: -749.254 Base-Backbone interact. energy: -0.377 local terms energy: -778.721116 where: bonds (distance) C4'-P energy: -152.210 bonds (distance) P-C4' energy: -150.501 flat angles C4'-P-C4' energy: -172.185 flat angles P-C4'-P energy: -95.223 tors. eta vs tors. theta energy: -208.602 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: 4 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2293.187372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.187372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.187372 (E_RNA) where: Base-Base interactions energy: -1576.783 where: short stacking energy: -659.125 Base-Backbone interact. energy: 1.551 local terms energy: -717.955057 where: bonds (distance) C4'-P energy: -135.936 bonds (distance) P-C4' energy: -150.971 flat angles C4'-P-C4' energy: -156.453 flat angles P-C4'-P energy: -92.470 tors. eta vs tors. theta energy: -182.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2244.699889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.699889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.699889 (E_RNA) where: Base-Base interactions energy: -1580.598 where: short stacking energy: -673.921 Base-Backbone interact. energy: -1.312 local terms energy: -662.789586 where: bonds (distance) C4'-P energy: -121.786 bonds (distance) P-C4' energy: -118.119 flat angles C4'-P-C4' energy: -151.524 flat angles P-C4'-P energy: -95.644 tors. eta vs tors. theta energy: -175.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -2110.784559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.784559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.784559 (E_RNA) where: Base-Base interactions energy: -1445.614 where: short stacking energy: -613.380 Base-Backbone interact. energy: 0.155 local terms energy: -665.325410 where: bonds (distance) C4'-P energy: -122.898 bonds (distance) P-C4' energy: -133.164 flat angles C4'-P-C4' energy: -150.931 flat angles P-C4'-P energy: -86.060 tors. eta vs tors. theta energy: -172.272 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: 6, replica: 7 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1810.442012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.442012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.442012 (E_RNA) where: Base-Base interactions energy: -1199.486 where: short stacking energy: -538.967 Base-Backbone interact. energy: -1.877 local terms energy: -609.079081 where: bonds (distance) C4'-P energy: -112.748 bonds (distance) P-C4' energy: -136.080 flat angles C4'-P-C4' energy: -137.548 flat angles P-C4'-P energy: -75.887 tors. eta vs tors. theta energy: -146.816 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: 5 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1592.204015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.204015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.204015 (E_RNA) where: Base-Base interactions energy: -1041.539 where: short stacking energy: -478.972 Base-Backbone interact. energy: 1.902 local terms energy: -552.566521 where: bonds (distance) C4'-P energy: -104.157 bonds (distance) P-C4' energy: -116.409 flat angles C4'-P-C4' energy: -141.376 flat angles P-C4'-P energy: -83.463 tors. eta vs tors. theta energy: -107.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1292.979575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.979575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.979575 (E_RNA) where: Base-Base interactions energy: -792.033 where: short stacking energy: -372.174 Base-Backbone interact. energy: 1.323 local terms energy: -502.268995 where: bonds (distance) C4'-P energy: -116.629 bonds (distance) P-C4' energy: -123.549 flat angles C4'-P-C4' energy: -115.511 flat angles P-C4'-P energy: -79.446 tors. eta vs tors. theta energy: -67.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1199.271369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.271369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.271369 (E_RNA) where: Base-Base interactions energy: -727.935 where: short stacking energy: -338.222 Base-Backbone interact. energy: 0.804 local terms energy: -472.140480 where: bonds (distance) C4'-P energy: -102.405 bonds (distance) P-C4' energy: -128.758 flat angles C4'-P-C4' energy: -114.874 flat angles P-C4'-P energy: -77.688 tors. eta vs tors. theta energy: -48.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -713.827382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.827382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.827382 (E_RNA) where: Base-Base interactions energy: -325.248 where: short stacking energy: -190.689 Base-Backbone interact. energy: -1.931 local terms energy: -386.648614 where: bonds (distance) C4'-P energy: -115.652 bonds (distance) P-C4' energy: -135.589 flat angles C4'-P-C4' energy: -92.078 flat angles P-C4'-P energy: -57.651 tors. eta vs tors. theta energy: 14.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -2626.376578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.376578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.376578 (E_RNA) where: Base-Base interactions energy: -1808.782 where: short stacking energy: -776.355 Base-Backbone interact. energy: -1.298 local terms energy: -816.296777 where: bonds (distance) C4'-P energy: -149.106 bonds (distance) P-C4' energy: -149.105 flat angles C4'-P-C4' energy: -176.668 flat angles P-C4'-P energy: -109.966 tors. eta vs tors. theta energy: -231.451 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: 2 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2486.940391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.940391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.940391 (E_RNA) where: Base-Base interactions energy: -1739.244 where: short stacking energy: -725.126 Base-Backbone interact. energy: 0.916 local terms energy: -748.611663 where: bonds (distance) C4'-P energy: -138.960 bonds (distance) P-C4' energy: -126.681 flat angles C4'-P-C4' energy: -161.921 flat angles P-C4'-P energy: -108.593 tors. eta vs tors. theta energy: -212.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2302.244148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.244148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.244148 (E_RNA) where: Base-Base interactions energy: -1593.748 where: short stacking energy: -646.130 Base-Backbone interact. energy: 9.085 local terms energy: -717.580827 where: bonds (distance) C4'-P energy: -141.899 bonds (distance) P-C4' energy: -142.187 flat angles C4'-P-C4' energy: -149.593 flat angles P-C4'-P energy: -110.403 tors. eta vs tors. theta energy: -173.499 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: 8 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2311.122503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.122503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.122503 (E_RNA) where: Base-Base interactions energy: -1623.544 where: short stacking energy: -672.429 Base-Backbone interact. energy: -5.250 local terms energy: -682.327715 where: bonds (distance) C4'-P energy: -120.756 bonds (distance) P-C4' energy: -142.820 flat angles C4'-P-C4' energy: -144.443 flat angles P-C4'-P energy: -82.131 tors. eta vs tors. theta energy: -192.178 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: 6 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2175.476374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.476374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.476374 (E_RNA) where: Base-Base interactions energy: -1497.771 where: short stacking energy: -634.305 Base-Backbone interact. energy: 0.598 local terms energy: -678.303878 where: bonds (distance) C4'-P energy: -118.295 bonds (distance) P-C4' energy: -134.549 flat angles C4'-P-C4' energy: -146.777 flat angles P-C4'-P energy: -102.002 tors. eta vs tors. theta energy: -176.681 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: 7 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1803.847953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.847953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.847953 (E_RNA) where: Base-Base interactions energy: -1188.621 where: short stacking energy: -551.411 Base-Backbone interact. energy: -0.934 local terms energy: -614.293267 where: bonds (distance) C4'-P energy: -107.469 bonds (distance) P-C4' energy: -115.863 flat angles C4'-P-C4' energy: -155.775 flat angles P-C4'-P energy: -95.199 tors. eta vs tors. theta energy: -139.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1620.090761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.090761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.090761 (E_RNA) where: Base-Base interactions energy: -1029.085 where: short stacking energy: -472.626 Base-Backbone interact. energy: -1.404 local terms energy: -589.601437 where: bonds (distance) C4'-P energy: -118.016 bonds (distance) P-C4' energy: -140.682 flat angles C4'-P-C4' energy: -141.368 flat angles P-C4'-P energy: -81.803 tors. eta vs tors. theta energy: -107.733 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: 8, replica: 10 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1311.867363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.867363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.867363 (E_RNA) where: Base-Base interactions energy: -790.346 where: short stacking energy: -375.355 Base-Backbone interact. energy: -1.489 local terms energy: -520.032160 where: bonds (distance) C4'-P energy: -96.932 bonds (distance) P-C4' energy: -138.129 flat angles C4'-P-C4' energy: -122.608 flat angles P-C4'-P energy: -86.760 tors. eta vs tors. theta energy: -75.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1192.899826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.899826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.899826 (E_RNA) where: Base-Base interactions energy: -730.881 where: short stacking energy: -323.914 Base-Backbone interact. energy: -2.545 local terms energy: -459.473687 where: bonds (distance) C4'-P energy: -107.221 bonds (distance) P-C4' energy: -120.529 flat angles C4'-P-C4' energy: -100.711 flat angles P-C4'-P energy: -85.870 tors. eta vs tors. theta energy: -45.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -750.887047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.887047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.887047 (E_RNA) where: Base-Base interactions energy: -335.791 where: short stacking energy: -209.254 Base-Backbone interact. energy: -1.963 local terms energy: -413.132577 where: bonds (distance) C4'-P energy: -107.501 bonds (distance) P-C4' energy: -141.427 flat angles C4'-P-C4' energy: -103.867 flat angles P-C4'-P energy: -61.909 tors. eta vs tors. theta energy: 1.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2596.655466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.655466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.655466 (E_RNA) where: Base-Base interactions energy: -1769.047 where: short stacking energy: -779.631 Base-Backbone interact. energy: -0.935 local terms energy: -826.673870 where: bonds (distance) C4'-P energy: -153.774 bonds (distance) P-C4' energy: -146.754 flat angles C4'-P-C4' energy: -176.425 flat angles P-C4'-P energy: -124.328 tors. eta vs tors. theta energy: -225.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2520.713190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.713190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.713190 (E_RNA) where: Base-Base interactions energy: -1740.522 where: short stacking energy: -766.554 Base-Backbone interact. energy: -1.468 local terms energy: -778.723103 where: bonds (distance) C4'-P energy: -135.886 bonds (distance) P-C4' energy: -143.905 flat angles C4'-P-C4' energy: -160.893 flat angles P-C4'-P energy: -111.195 tors. eta vs tors. theta energy: -226.844 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: 8 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2343.543097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.543097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.543097 (E_RNA) where: Base-Base interactions energy: -1581.710 where: short stacking energy: -678.186 Base-Backbone interact. energy: 0.072 local terms energy: -761.905065 where: bonds (distance) C4'-P energy: -138.755 bonds (distance) P-C4' energy: -140.452 flat angles C4'-P-C4' energy: -170.718 flat angles P-C4'-P energy: -109.892 tors. eta vs tors. theta energy: -202.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2256.046101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.046101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.046101 (E_RNA) where: Base-Base interactions energy: -1554.972 where: short stacking energy: -642.348 Base-Backbone interact. energy: -2.131 local terms energy: -698.943174 where: bonds (distance) C4'-P energy: -138.251 bonds (distance) P-C4' energy: -141.874 flat angles C4'-P-C4' energy: -157.189 flat angles P-C4'-P energy: -93.090 tors. eta vs tors. theta energy: -168.540 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: 6 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2137.217603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.217603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.217603 (E_RNA) where: Base-Base interactions energy: -1446.032 where: short stacking energy: -625.690 Base-Backbone interact. energy: 0.143 local terms energy: -691.328440 where: bonds (distance) C4'-P energy: -125.716 bonds (distance) P-C4' energy: -145.346 flat angles C4'-P-C4' energy: -148.080 flat angles P-C4'-P energy: -93.649 tors. eta vs tors. theta energy: -178.537 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: 6, replica: 7 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1805.243205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.243205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.243205 (E_RNA) where: Base-Base interactions energy: -1212.658 where: short stacking energy: -512.062 Base-Backbone interact. energy: 2.709 local terms energy: -595.294003 where: bonds (distance) C4'-P energy: -120.383 bonds (distance) P-C4' energy: -126.636 flat angles C4'-P-C4' energy: -151.787 flat angles P-C4'-P energy: -68.937 tors. eta vs tors. theta energy: -127.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1611.092667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.092667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.092667 (E_RNA) where: Base-Base interactions energy: -1052.897 where: short stacking energy: -463.402 Base-Backbone interact. energy: 1.290 local terms energy: -559.485708 where: bonds (distance) C4'-P energy: -121.773 bonds (distance) P-C4' energy: -126.140 flat angles C4'-P-C4' energy: -127.241 flat angles P-C4'-P energy: -89.839 tors. eta vs tors. theta energy: -94.493 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: 8, replica: 10 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1309.034474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.034474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.034474 (E_RNA) where: Base-Base interactions energy: -778.632 where: short stacking energy: -391.935 Base-Backbone interact. energy: 2.156 local terms energy: -532.558056 where: bonds (distance) C4'-P energy: -132.071 bonds (distance) P-C4' energy: -127.926 flat angles C4'-P-C4' energy: -122.037 flat angles P-C4'-P energy: -65.914 tors. eta vs tors. theta energy: -84.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1243.287852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.287852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.287852 (E_RNA) where: Base-Base interactions energy: -790.537 where: short stacking energy: -371.618 Base-Backbone interact. energy: 1.070 local terms energy: -453.820360 where: bonds (distance) C4'-P energy: -93.115 bonds (distance) P-C4' energy: -141.676 flat angles C4'-P-C4' energy: -94.502 flat angles P-C4'-P energy: -65.063 tors. eta vs tors. theta energy: -59.465 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: 1 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -819.220789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.220789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.220789 (E_RNA) where: Base-Base interactions energy: -424.797 where: short stacking energy: -245.880 Base-Backbone interact. energy: -1.359 local terms energy: -393.064590 where: bonds (distance) C4'-P energy: -138.836 bonds (distance) P-C4' energy: -144.147 flat angles C4'-P-C4' energy: -79.143 flat angles P-C4'-P energy: -34.385 tors. eta vs tors. theta energy: 3.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2613.491641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.491641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.491641 (E_RNA) where: Base-Base interactions energy: -1809.182 where: short stacking energy: -783.388 Base-Backbone interact. energy: 1.261 local terms energy: -805.570560 where: bonds (distance) C4'-P energy: -152.384 bonds (distance) P-C4' energy: -152.500 flat angles C4'-P-C4' energy: -164.282 flat angles P-C4'-P energy: -109.851 tors. eta vs tors. theta energy: -226.553 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: 2 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2499.869108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.869108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.869108 (E_RNA) where: Base-Base interactions energy: -1748.166 where: short stacking energy: -731.899 Base-Backbone interact. energy: -3.597 local terms energy: -748.106592 where: bonds (distance) C4'-P energy: -143.015 bonds (distance) P-C4' energy: -140.469 flat angles C4'-P-C4' energy: -159.615 flat angles P-C4'-P energy: -96.586 tors. eta vs tors. theta energy: -208.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2325.565073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.565073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.565073 (E_RNA) where: Base-Base interactions energy: -1576.961 where: short stacking energy: -677.679 Base-Backbone interact. energy: -1.014 local terms energy: -747.589307 where: bonds (distance) C4'-P energy: -147.245 bonds (distance) P-C4' energy: -140.477 flat angles C4'-P-C4' energy: -157.612 flat angles P-C4'-P energy: -108.516 tors. eta vs tors. theta energy: -193.739 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: 4, replica: 4 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2251.701278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.701278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.701278 (E_RNA) where: Base-Base interactions energy: -1597.541 where: short stacking energy: -628.168 Base-Backbone interact. energy: -1.582 local terms energy: -652.577764 where: bonds (distance) C4'-P energy: -118.466 bonds (distance) P-C4' energy: -130.857 flat angles C4'-P-C4' energy: -163.075 flat angles P-C4'-P energy: -80.234 tors. eta vs tors. theta energy: -159.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2170.796817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.796817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.796817 (E_RNA) where: Base-Base interactions energy: -1468.353 where: short stacking energy: -644.740 Base-Backbone interact. energy: -2.748 local terms energy: -699.696428 where: bonds (distance) C4'-P energy: -133.043 bonds (distance) P-C4' energy: -143.445 flat angles C4'-P-C4' energy: -157.719 flat angles P-C4'-P energy: -81.098 tors. eta vs tors. theta energy: -184.391 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: 6, replica: 7 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1861.192635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.192635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.192635 (E_RNA) where: Base-Base interactions energy: -1249.800 where: short stacking energy: -536.094 Base-Backbone interact. energy: 2.905 local terms energy: -614.297753 where: bonds (distance) C4'-P energy: -132.722 bonds (distance) P-C4' energy: -127.087 flat angles C4'-P-C4' energy: -140.170 flat angles P-C4'-P energy: -86.923 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: 7, replica: 5 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1590.567046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.567046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.567046 (E_RNA) where: Base-Base interactions energy: -1053.778 where: short stacking energy: -457.098 Base-Backbone interact. energy: -0.466 local terms energy: -536.322729 where: bonds (distance) C4'-P energy: -125.194 bonds (distance) P-C4' energy: -119.294 flat angles C4'-P-C4' energy: -121.505 flat angles P-C4'-P energy: -83.808 tors. eta vs tors. theta energy: -86.522 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: 8, replica: 9 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1299.750917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.750917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.750917 (E_RNA) where: Base-Base interactions energy: -842.477 where: short stacking energy: -391.420 Base-Backbone interact. energy: -0.333 local terms energy: -456.940634 where: bonds (distance) C4'-P energy: -111.285 bonds (distance) P-C4' energy: -108.162 flat angles C4'-P-C4' energy: -105.388 flat angles P-C4'-P energy: -74.146 tors. eta vs tors. theta energy: -57.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -1286.528246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.528246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.528246 (E_RNA) where: Base-Base interactions energy: -799.339 where: short stacking energy: -374.195 Base-Backbone interact. energy: 0.480 local terms energy: -487.669245 where: bonds (distance) C4'-P energy: -105.624 bonds (distance) P-C4' energy: -135.178 flat angles C4'-P-C4' energy: -120.146 flat angles P-C4'-P energy: -64.937 tors. eta vs tors. theta energy: -61.785 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: 1 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -826.898369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.898369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.898369 (E_RNA) where: Base-Base interactions energy: -446.406 where: short stacking energy: -225.129 Base-Backbone interact. energy: 3.307 local terms energy: -383.799442 where: bonds (distance) C4'-P energy: -115.470 bonds (distance) P-C4' energy: -98.861 flat angles C4'-P-C4' energy: -105.503 flat angles P-C4'-P energy: -73.615 tors. eta vs tors. theta energy: 9.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2597.809907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.809907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.809907 (E_RNA) where: Base-Base interactions energy: -1768.508 where: short stacking energy: -797.748 Base-Backbone interact. energy: -0.602 local terms energy: -828.700021 where: bonds (distance) C4'-P energy: -165.662 bonds (distance) P-C4' energy: -153.462 flat angles C4'-P-C4' energy: -180.126 flat angles P-C4'-P energy: -105.178 tors. eta vs tors. theta energy: -224.271 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: 2, replica: 2 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2517.944427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.944427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.944427 (E_RNA) where: Base-Base interactions energy: -1722.067 where: short stacking energy: -743.812 Base-Backbone interact. energy: -2.776 local terms energy: -793.102136 where: bonds (distance) C4'-P energy: -151.733 bonds (distance) P-C4' energy: -153.666 flat angles C4'-P-C4' energy: -164.690 flat angles P-C4'-P energy: -103.025 tors. eta vs tors. theta energy: -219.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2341.683305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.683305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.683305 (E_RNA) where: Base-Base interactions energy: -1586.179 where: short stacking energy: -672.195 Base-Backbone interact. energy: 1.036 local terms energy: -756.540602 where: bonds (distance) C4'-P energy: -141.989 bonds (distance) P-C4' energy: -153.536 flat angles C4'-P-C4' energy: -153.997 flat angles P-C4'-P energy: -100.016 tors. eta vs tors. theta energy: -207.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2271.024444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.024444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.024444 (E_RNA) where: Base-Base interactions energy: -1563.205 where: short stacking energy: -654.013 Base-Backbone interact. energy: -2.662 local terms energy: -705.157941 where: bonds (distance) C4'-P energy: -137.135 bonds (distance) P-C4' energy: -135.767 flat angles C4'-P-C4' energy: -167.144 flat angles P-C4'-P energy: -93.383 tors. eta vs tors. theta energy: -171.728 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: 258 Temperature: 1.100000 Total energy: -2173.107500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.107500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.107500 (E_RNA) where: Base-Base interactions energy: -1492.947 where: short stacking energy: -633.434 Base-Backbone interact. energy: -4.346 local terms energy: -675.814225 where: bonds (distance) C4'-P energy: -123.023 bonds (distance) P-C4' energy: -137.541 flat angles C4'-P-C4' energy: -151.263 flat angles P-C4'-P energy: -89.171 tors. eta vs tors. theta energy: -174.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1890.727146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.727146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.727146 (E_RNA) where: Base-Base interactions energy: -1252.697 where: short stacking energy: -532.926 Base-Backbone interact. energy: -0.529 local terms energy: -637.500904 where: bonds (distance) C4'-P energy: -124.952 bonds (distance) P-C4' energy: -141.890 flat angles C4'-P-C4' energy: -145.508 flat angles P-C4'-P energy: -93.308 tors. eta vs tors. theta energy: -131.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1553.765466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.765466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.765466 (E_RNA) where: Base-Base interactions energy: -1019.675 where: short stacking energy: -449.294 Base-Backbone interact. energy: -1.559 local terms energy: -532.531281 where: bonds (distance) C4'-P energy: -122.602 bonds (distance) P-C4' energy: -111.180 flat angles C4'-P-C4' energy: -137.613 flat angles P-C4'-P energy: -75.708 tors. eta vs tors. theta energy: -85.429 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: 9 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1333.884383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.884383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.884383 (E_RNA) where: Base-Base interactions energy: -844.961 where: short stacking energy: -389.822 Base-Backbone interact. energy: -0.853 local terms energy: -488.070566 where: bonds (distance) C4'-P energy: -111.333 bonds (distance) P-C4' energy: -132.925 flat angles C4'-P-C4' energy: -107.544 flat angles P-C4'-P energy: -72.450 tors. eta vs tors. theta energy: -63.818 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: 258 Temperature: 1.300000 Total energy: -1272.069070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.069070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.069070 (E_RNA) where: Base-Base interactions energy: -773.934 where: short stacking energy: -355.974 Base-Backbone interact. energy: -0.086 local terms energy: -498.049892 where: bonds (distance) C4'-P energy: -107.967 bonds (distance) P-C4' energy: -129.400 flat angles C4'-P-C4' energy: -121.681 flat angles P-C4'-P energy: -57.134 tors. eta vs tors. theta energy: -81.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -854.799322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.799322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.799322 (E_RNA) where: Base-Base interactions energy: -432.550 where: short stacking energy: -229.119 Base-Backbone interact. energy: 2.076 local terms energy: -424.325265 where: bonds (distance) C4'-P energy: -130.422 bonds (distance) P-C4' energy: -118.278 flat angles C4'-P-C4' energy: -126.436 flat angles P-C4'-P energy: -56.879 tors. eta vs tors. theta energy: 7.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -2630.899943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.899943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.899943 (E_RNA) where: Base-Base interactions energy: -1798.875 where: short stacking energy: -789.530 Base-Backbone interact. energy: 6.191 local terms energy: -838.216482 where: bonds (distance) C4'-P energy: -148.916 bonds (distance) P-C4' energy: -153.685 flat angles C4'-P-C4' energy: -168.110 flat angles P-C4'-P energy: -125.326 tors. eta vs tors. theta energy: -242.180 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: 2, replica: 2 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2529.140981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.140981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.140981 (E_RNA) where: Base-Base interactions energy: -1756.246 where: short stacking energy: -728.870 Base-Backbone interact. energy: -0.337 local terms energy: -772.558208 where: bonds (distance) C4'-P energy: -138.082 bonds (distance) P-C4' energy: -143.793 flat angles C4'-P-C4' energy: -165.375 flat angles P-C4'-P energy: -115.831 tors. eta vs tors. theta energy: -209.477 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: 8 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2300.734981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.734981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.734981 (E_RNA) where: Base-Base interactions energy: -1591.764 where: short stacking energy: -673.966 Base-Backbone interact. energy: -2.466 local terms energy: -706.505080 where: bonds (distance) C4'-P energy: -130.891 bonds (distance) P-C4' energy: -139.556 flat angles C4'-P-C4' energy: -152.736 flat angles P-C4'-P energy: -91.685 tors. eta vs tors. theta energy: -191.638 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: 4 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2297.694826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.694826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.694826 (E_RNA) where: Base-Base interactions energy: -1598.187 where: short stacking energy: -655.644 Base-Backbone interact. energy: 5.511 local terms energy: -705.018594 where: bonds (distance) C4'-P energy: -134.796 bonds (distance) P-C4' energy: -141.814 flat angles C4'-P-C4' energy: -162.668 flat angles P-C4'-P energy: -87.801 tors. eta vs tors. theta energy: -177.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2058.142681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.142681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.142681 (E_RNA) where: Base-Base interactions energy: -1399.318 where: short stacking energy: -594.715 Base-Backbone interact. energy: 0.620 local terms energy: -659.444833 where: bonds (distance) C4'-P energy: -137.755 bonds (distance) P-C4' energy: -126.692 flat angles C4'-P-C4' energy: -155.442 flat angles P-C4'-P energy: -77.463 tors. eta vs tors. theta energy: -162.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1840.390012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.390012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.390012 (E_RNA) where: Base-Base interactions energy: -1226.595 where: short stacking energy: -533.514 Base-Backbone interact. energy: -1.052 local terms energy: -612.743261 where: bonds (distance) C4'-P energy: -116.735 bonds (distance) P-C4' energy: -114.228 flat angles C4'-P-C4' energy: -133.654 flat angles P-C4'-P energy: -104.873 tors. eta vs tors. theta energy: -143.254 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: 5 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1572.438499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.438499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.438499 (E_RNA) where: Base-Base interactions energy: -976.070 where: short stacking energy: -448.992 Base-Backbone interact. energy: -3.477 local terms energy: -592.891328 where: bonds (distance) C4'-P energy: -140.533 bonds (distance) P-C4' energy: -121.696 flat angles C4'-P-C4' energy: -140.588 flat angles P-C4'-P energy: -80.371 tors. eta vs tors. theta energy: -109.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1366.014605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.014605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.014605 (E_RNA) where: Base-Base interactions energy: -882.703 where: short stacking energy: -417.315 Base-Backbone interact. energy: 4.659 local terms energy: -487.970353 where: bonds (distance) C4'-P energy: -94.721 bonds (distance) P-C4' energy: -118.954 flat angles C4'-P-C4' energy: -114.949 flat angles P-C4'-P energy: -79.937 tors. eta vs tors. theta energy: -79.409 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: 9, replica: 10 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1197.014752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.014752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.014752 (E_RNA) where: Base-Base interactions energy: -703.045 where: short stacking energy: -333.556 Base-Backbone interact. energy: -1.868 local terms energy: -492.101375 where: bonds (distance) C4'-P energy: -118.144 bonds (distance) P-C4' energy: -122.314 flat angles C4'-P-C4' energy: -122.703 flat angles P-C4'-P energy: -66.785 tors. eta vs tors. theta energy: -62.155 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: 10, replica: 1 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -792.952604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.952604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.952604 (E_RNA) where: Base-Base interactions energy: -418.595 where: short stacking energy: -244.709 Base-Backbone interact. energy: 0.948 local terms energy: -375.305332 where: bonds (distance) C4'-P energy: -96.864 bonds (distance) P-C4' energy: -121.618 flat angles C4'-P-C4' energy: -104.641 flat angles P-C4'-P energy: -53.541 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: 3 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2649.179654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.179654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.179654 (E_RNA) where: Base-Base interactions energy: -1837.441 where: short stacking energy: -806.157 Base-Backbone interact. energy: -0.972 local terms energy: -810.766052 where: bonds (distance) C4'-P energy: -140.969 bonds (distance) P-C4' energy: -154.857 flat angles C4'-P-C4' energy: -167.488 flat angles P-C4'-P energy: -107.639 tors. eta vs tors. theta energy: -239.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2534.824267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.824267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.824267 (E_RNA) where: Base-Base interactions energy: -1728.356 where: short stacking energy: -744.507 Base-Backbone interact. energy: -3.716 local terms energy: -803.343229 where: bonds (distance) C4'-P energy: -140.228 bonds (distance) P-C4' energy: -158.453 flat angles C4'-P-C4' energy: -169.217 flat angles P-C4'-P energy: -127.100 tors. eta vs tors. theta energy: -208.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.591 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2336.429283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.429283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.429283 (E_RNA) where: Base-Base interactions energy: -1578.335 where: short stacking energy: -674.593 Base-Backbone interact. energy: -1.564 local terms energy: -756.529768 where: bonds (distance) C4'-P energy: -145.893 bonds (distance) P-C4' energy: -141.659 flat angles C4'-P-C4' energy: -158.568 flat angles P-C4'-P energy: -117.462 tors. eta vs tors. theta energy: -192.948 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: 4 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2204.321469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.321469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.321469 (E_RNA) where: Base-Base interactions energy: -1530.613 where: short stacking energy: -641.146 Base-Backbone interact. energy: -0.433 local terms energy: -673.276023 where: bonds (distance) C4'-P energy: -130.978 bonds (distance) P-C4' energy: -126.664 flat angles C4'-P-C4' energy: -143.234 flat angles P-C4'-P energy: -102.035 tors. eta vs tors. theta energy: -170.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2126.458643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.458643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.458643 (E_RNA) where: Base-Base interactions energy: -1447.201 where: short stacking energy: -620.998 Base-Backbone interact. energy: -3.694 local terms energy: -675.563246 where: bonds (distance) C4'-P energy: -120.605 bonds (distance) P-C4' energy: -138.794 flat angles C4'-P-C4' energy: -141.026 flat angles P-C4'-P energy: -95.473 tors. eta vs tors. theta energy: -179.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1912.051463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.051463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.051463 (E_RNA) where: Base-Base interactions energy: -1269.113 where: short stacking energy: -544.682 Base-Backbone interact. energy: -5.352 local terms energy: -637.586055 where: bonds (distance) C4'-P energy: -119.998 bonds (distance) P-C4' energy: -132.403 flat angles C4'-P-C4' energy: -147.213 flat angles P-C4'-P energy: -91.658 tors. eta vs tors. theta energy: -146.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1606.634957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.634957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.634957 (E_RNA) where: Base-Base interactions energy: -1016.734 where: short stacking energy: -480.274 Base-Backbone interact. energy: 1.779 local terms energy: -591.679156 where: bonds (distance) C4'-P energy: -132.601 bonds (distance) P-C4' energy: -124.934 flat angles C4'-P-C4' energy: -133.233 flat angles P-C4'-P energy: -80.553 tors. eta vs tors. theta energy: -120.358 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: 9 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1272.431997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.431997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.431997 (E_RNA) where: Base-Base interactions energy: -772.272 where: short stacking energy: -363.073 Base-Backbone interact. energy: -0.126 local terms energy: -500.034381 where: bonds (distance) C4'-P energy: -132.660 bonds (distance) P-C4' energy: -112.744 flat angles C4'-P-C4' energy: -112.362 flat angles P-C4'-P energy: -71.445 tors. eta vs tors. theta energy: -70.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1263.603752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.603752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.603752 (E_RNA) where: Base-Base interactions energy: -758.334 where: short stacking energy: -344.807 Base-Backbone interact. energy: 0.799 local terms energy: -506.068772 where: bonds (distance) C4'-P energy: -110.166 bonds (distance) P-C4' energy: -121.083 flat angles C4'-P-C4' energy: -130.122 flat angles P-C4'-P energy: -90.187 tors. eta vs tors. theta energy: -54.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -833.153029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.153029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.153029 (E_RNA) where: Base-Base interactions energy: -431.712 where: short stacking energy: -250.039 Base-Backbone interact. energy: 5.403 local terms energy: -406.844949 where: bonds (distance) C4'-P energy: -113.793 bonds (distance) P-C4' energy: -130.730 flat angles C4'-P-C4' energy: -98.280 flat angles P-C4'-P energy: -53.490 tors. eta vs tors. theta energy: -10.552 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: 1, replica: 3 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2669.684573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.684573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.684573 (E_RNA) where: Base-Base interactions energy: -1836.300 where: short stacking energy: -786.122 Base-Backbone interact. energy: -1.948 local terms energy: -831.436479 where: bonds (distance) C4'-P energy: -143.650 bonds (distance) P-C4' energy: -154.395 flat angles C4'-P-C4' energy: -175.196 flat angles P-C4'-P energy: -117.201 tors. eta vs tors. theta energy: -240.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2508.168421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.168421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.168421 (E_RNA) where: Base-Base interactions energy: -1763.309 where: short stacking energy: -728.001 Base-Backbone interact. energy: -2.209 local terms energy: -742.650253 where: bonds (distance) C4'-P energy: -147.569 bonds (distance) P-C4' energy: -130.146 flat angles C4'-P-C4' energy: -152.861 flat angles P-C4'-P energy: -107.258 tors. eta vs tors. theta energy: -204.817 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: 8 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2339.659731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.659731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.659731 (E_RNA) where: Base-Base interactions energy: -1608.024 where: short stacking energy: -689.380 Base-Backbone interact. energy: 1.038 local terms energy: -732.673211 where: bonds (distance) C4'-P energy: -134.135 bonds (distance) P-C4' energy: -143.144 flat angles C4'-P-C4' energy: -145.372 flat angles P-C4'-P energy: -115.785 tors. eta vs tors. theta energy: -194.237 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: 4, replica: 4 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2240.641344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.641344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.641344 (E_RNA) where: Base-Base interactions energy: -1539.656 where: short stacking energy: -635.128 Base-Backbone interact. energy: -1.511 local terms energy: -699.474881 where: bonds (distance) C4'-P energy: -149.656 bonds (distance) P-C4' energy: -140.816 flat angles C4'-P-C4' energy: -169.637 flat angles P-C4'-P energy: -85.515 tors. eta vs tors. theta energy: -153.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2152.409850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.409850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.409850 (E_RNA) where: Base-Base interactions energy: -1490.307 where: short stacking energy: -618.830 Base-Backbone interact. energy: -3.118 local terms energy: -658.985581 where: bonds (distance) C4'-P energy: -100.132 bonds (distance) P-C4' energy: -135.275 flat angles C4'-P-C4' energy: -161.998 flat angles P-C4'-P energy: -85.506 tors. eta vs tors. theta energy: -176.075 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: 6, replica: 7 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1910.235847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.235847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.235847 (E_RNA) where: Base-Base interactions energy: -1298.326 where: short stacking energy: -507.717 Base-Backbone interact. energy: -6.284 local terms energy: -605.625705 where: bonds (distance) C4'-P energy: -122.425 bonds (distance) P-C4' energy: -112.012 flat angles C4'-P-C4' energy: -141.802 flat angles P-C4'-P energy: -89.176 tors. eta vs tors. theta energy: -140.210 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: 5 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1529.447582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.447582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.447582 (E_RNA) where: Base-Base interactions energy: -959.741 where: short stacking energy: -457.378 Base-Backbone interact. energy: -0.998 local terms energy: -568.708889 where: bonds (distance) C4'-P energy: -133.740 bonds (distance) P-C4' energy: -119.849 flat angles C4'-P-C4' energy: -127.528 flat angles P-C4'-P energy: -87.831 tors. eta vs tors. theta energy: -99.762 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: 9 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1369.879677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.879677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.879677 (E_RNA) where: Base-Base interactions energy: -831.804 where: short stacking energy: -400.327 Base-Backbone interact. energy: 0.846 local terms energy: -538.922208 where: bonds (distance) C4'-P energy: -122.880 bonds (distance) P-C4' energy: -129.546 flat angles C4'-P-C4' energy: -131.961 flat angles P-C4'-P energy: -82.225 tors. eta vs tors. theta energy: -72.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1268.099246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.099246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.099246 (E_RNA) where: Base-Base interactions energy: -792.035 where: short stacking energy: -359.746 Base-Backbone interact. energy: -2.262 local terms energy: -473.802135 where: bonds (distance) C4'-P energy: -103.219 bonds (distance) P-C4' energy: -131.624 flat angles C4'-P-C4' energy: -106.432 flat angles P-C4'-P energy: -69.319 tors. eta vs tors. theta energy: -63.209 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: 10, replica: 1 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -828.354448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.354448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.354448 (E_RNA) where: Base-Base interactions energy: -422.699 where: short stacking energy: -228.980 Base-Backbone interact. energy: -0.750 local terms energy: -404.905580 where: bonds (distance) C4'-P energy: -110.432 bonds (distance) P-C4' energy: -105.203 flat angles C4'-P-C4' energy: -104.935 flat angles P-C4'-P energy: -78.245 tors. eta vs tors. theta energy: -6.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2613.701236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.701236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.701236 (E_RNA) where: Base-Base interactions energy: -1804.205 where: short stacking energy: -760.619 Base-Backbone interact. energy: 1.388 local terms energy: -810.884080 where: bonds (distance) C4'-P energy: -141.494 bonds (distance) P-C4' energy: -143.751 flat angles C4'-P-C4' energy: -182.440 flat angles P-C4'-P energy: -110.958 tors. eta vs tors. theta energy: -232.242 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: 2 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2550.922783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.922783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.922783 (E_RNA) where: Base-Base interactions energy: -1753.389 where: short stacking energy: -752.422 Base-Backbone interact. energy: -1.683 local terms energy: -795.850522 where: bonds (distance) C4'-P energy: -142.626 bonds (distance) P-C4' energy: -141.892 flat angles C4'-P-C4' energy: -165.800 flat angles P-C4'-P energy: -116.117 tors. eta vs tors. theta energy: -229.416 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: 3, replica: 8 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2338.126866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.126866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.126866 (E_RNA) where: Base-Base interactions energy: -1600.620 where: short stacking energy: -703.583 Base-Backbone interact. energy: 4.175 local terms energy: -741.681260 where: bonds (distance) C4'-P energy: -129.306 bonds (distance) P-C4' energy: -151.011 flat angles C4'-P-C4' energy: -167.087 flat angles P-C4'-P energy: -103.310 tors. eta vs tors. theta energy: -190.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2254.380544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.380544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.380544 (E_RNA) where: Base-Base interactions energy: -1575.764 where: short stacking energy: -659.315 Base-Backbone interact. energy: -0.971 local terms energy: -677.645472 where: bonds (distance) C4'-P energy: -127.342 bonds (distance) P-C4' energy: -140.795 flat angles C4'-P-C4' energy: -155.084 flat angles P-C4'-P energy: -72.682 tors. eta vs tors. theta energy: -181.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2162.498971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.498971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.498971 (E_RNA) where: Base-Base interactions energy: -1480.982 where: short stacking energy: -633.982 Base-Backbone interact. energy: -2.867 local terms energy: -678.649319 where: bonds (distance) C4'-P energy: -132.741 bonds (distance) P-C4' energy: -131.891 flat angles C4'-P-C4' energy: -162.576 flat angles P-C4'-P energy: -74.704 tors. eta vs tors. theta energy: -176.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1848.248609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.248609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.248609 (E_RNA) where: Base-Base interactions energy: -1252.384 where: short stacking energy: -551.098 Base-Backbone interact. energy: 1.077 local terms energy: -596.942156 where: bonds (distance) C4'-P energy: -93.608 bonds (distance) P-C4' energy: -150.269 flat angles C4'-P-C4' energy: -143.581 flat angles P-C4'-P energy: -79.551 tors. eta vs tors. theta energy: -129.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1601.531677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.531677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.531677 (E_RNA) where: Base-Base interactions energy: -1008.648 where: short stacking energy: -457.162 Base-Backbone interact. energy: 5.110 local terms energy: -597.993728 where: bonds (distance) C4'-P energy: -133.780 bonds (distance) P-C4' energy: -143.779 flat angles C4'-P-C4' energy: -136.322 flat angles P-C4'-P energy: -86.336 tors. eta vs tors. theta energy: -97.777 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: 9 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1425.654924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.654924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.654924 (E_RNA) where: Base-Base interactions energy: -914.417 where: short stacking energy: -398.724 Base-Backbone interact. energy: -4.416 local terms energy: -506.822368 where: bonds (distance) C4'-P energy: -109.917 bonds (distance) P-C4' energy: -133.376 flat angles C4'-P-C4' energy: -124.952 flat angles P-C4'-P energy: -69.146 tors. eta vs tors. theta energy: -69.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1263.088021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.088021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.088021 (E_RNA) where: Base-Base interactions energy: -796.892 where: short stacking energy: -366.507 Base-Backbone interact. energy: 4.445 local terms energy: -470.641241 where: bonds (distance) C4'-P energy: -129.689 bonds (distance) P-C4' energy: -98.881 flat angles C4'-P-C4' energy: -123.680 flat angles P-C4'-P energy: -67.457 tors. eta vs tors. theta energy: -50.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -814.339105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.339105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.339105 (E_RNA) where: Base-Base interactions energy: -417.746 where: short stacking energy: -231.173 Base-Backbone interact. energy: -0.476 local terms energy: -396.117090 where: bonds (distance) C4'-P energy: -121.394 bonds (distance) P-C4' energy: -120.513 flat angles C4'-P-C4' energy: -91.525 flat angles P-C4'-P energy: -63.167 tors. eta vs tors. theta energy: 0.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2611.421537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.421537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.421537 (E_RNA) where: Base-Base interactions energy: -1818.986 where: short stacking energy: -784.173 Base-Backbone interact. energy: -2.055 local terms energy: -790.381243 where: bonds (distance) C4'-P energy: -147.752 bonds (distance) P-C4' energy: -129.756 flat angles C4'-P-C4' energy: -167.917 flat angles P-C4'-P energy: -115.989 tors. eta vs tors. theta energy: -228.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2534.390077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.390077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.390077 (E_RNA) where: Base-Base interactions energy: -1749.714 where: short stacking energy: -725.544 Base-Backbone interact. energy: 2.607 local terms energy: -787.282451 where: bonds (distance) C4'-P energy: -139.999 bonds (distance) P-C4' energy: -133.168 flat angles C4'-P-C4' energy: -173.248 flat angles P-C4'-P energy: -115.225 tors. eta vs tors. theta energy: -225.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2313.950505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.950505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.950505 (E_RNA) where: Base-Base interactions energy: -1596.644 where: short stacking energy: -664.212 Base-Backbone interact. energy: -1.632 local terms energy: -715.675060 where: bonds (distance) C4'-P energy: -126.048 bonds (distance) P-C4' energy: -143.861 flat angles C4'-P-C4' energy: -155.816 flat angles P-C4'-P energy: -102.019 tors. eta vs tors. theta energy: -187.932 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: 4, replica: 4 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2175.592446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.592446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.592446 (E_RNA) where: Base-Base interactions energy: -1495.754 where: short stacking energy: -610.160 Base-Backbone interact. energy: -3.303 local terms energy: -676.535374 where: bonds (distance) C4'-P energy: -132.504 bonds (distance) P-C4' energy: -136.489 flat angles C4'-P-C4' energy: -152.224 flat angles P-C4'-P energy: -93.487 tors. eta vs tors. theta energy: -161.830 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: 5, replica: 6 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2052.184800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.184800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.184800 (E_RNA) where: Base-Base interactions energy: -1387.023 where: short stacking energy: -607.934 Base-Backbone interact. energy: 1.069 local terms energy: -666.231257 where: bonds (distance) C4'-P energy: -110.723 bonds (distance) P-C4' energy: -158.973 flat angles C4'-P-C4' energy: -153.475 flat angles P-C4'-P energy: -86.742 tors. eta vs tors. theta energy: -156.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1929.631657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.631657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.631657 (E_RNA) where: Base-Base interactions energy: -1288.780 where: short stacking energy: -560.642 Base-Backbone interact. energy: 3.030 local terms energy: -643.881672 where: bonds (distance) C4'-P energy: -127.180 bonds (distance) P-C4' energy: -133.323 flat angles C4'-P-C4' energy: -144.713 flat angles P-C4'-P energy: -96.440 tors. eta vs tors. theta energy: -142.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1596.181560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.181560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.181560 (E_RNA) where: Base-Base interactions energy: -1016.901 where: short stacking energy: -493.556 Base-Backbone interact. energy: 0.628 local terms energy: -579.908676 where: bonds (distance) C4'-P energy: -121.037 bonds (distance) P-C4' energy: -141.397 flat angles C4'-P-C4' energy: -106.880 flat angles P-C4'-P energy: -91.508 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: 8, replica: 9 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1444.673140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.673140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.673140 (E_RNA) where: Base-Base interactions energy: -931.186 where: short stacking energy: -419.793 Base-Backbone interact. energy: 0.319 local terms energy: -513.805539 where: bonds (distance) C4'-P energy: -116.307 bonds (distance) P-C4' energy: -119.507 flat angles C4'-P-C4' energy: -126.233 flat angles P-C4'-P energy: -75.040 tors. eta vs tors. theta energy: -76.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -1286.225539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.225539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.225539 (E_RNA) where: Base-Base interactions energy: -754.532 where: short stacking energy: -383.093 Base-Backbone interact. energy: -1.544 local terms energy: -530.149904 where: bonds (distance) C4'-P energy: -114.058 bonds (distance) P-C4' energy: -139.455 flat angles C4'-P-C4' energy: -131.147 flat angles P-C4'-P energy: -67.403 tors. eta vs tors. theta energy: -78.087 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: 1 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -845.835150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.835150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.835150 (E_RNA) where: Base-Base interactions energy: -439.416 where: short stacking energy: -229.549 Base-Backbone interact. energy: -1.337 local terms energy: -405.082083 where: bonds (distance) C4'-P energy: -96.675 bonds (distance) P-C4' energy: -124.156 flat angles C4'-P-C4' energy: -113.624 flat angles P-C4'-P energy: -62.612 tors. eta vs tors. theta energy: -8.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -2603.004934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.004934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.004934 (E_RNA) where: Base-Base interactions energy: -1807.420 where: short stacking energy: -745.709 Base-Backbone interact. energy: -2.502 local terms energy: -793.082779 where: bonds (distance) C4'-P energy: -153.836 bonds (distance) P-C4' energy: -142.006 flat angles C4'-P-C4' energy: -163.860 flat angles P-C4'-P energy: -110.757 tors. eta vs tors. theta energy: -222.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2550.931242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.931242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.931242 (E_RNA) where: Base-Base interactions energy: -1729.146 where: short stacking energy: -764.904 Base-Backbone interact. energy: -2.524 local terms energy: -819.261864 where: bonds (distance) C4'-P energy: -154.019 bonds (distance) P-C4' energy: -157.926 flat angles C4'-P-C4' energy: -161.752 flat angles P-C4'-P energy: -111.452 tors. eta vs tors. theta energy: -234.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2322.015687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.015687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.015687 (E_RNA) where: Base-Base interactions energy: -1608.177 where: short stacking energy: -639.911 Base-Backbone interact. energy: -2.600 local terms energy: -711.238633 where: bonds (distance) C4'-P energy: -142.077 bonds (distance) P-C4' energy: -127.732 flat angles C4'-P-C4' energy: -155.987 flat angles P-C4'-P energy: -112.152 tors. eta vs tors. theta energy: -173.291 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: 4 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2239.135518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.135518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.135518 (E_RNA) where: Base-Base interactions energy: -1554.155 where: short stacking energy: -661.331 Base-Backbone interact. energy: -0.719 local terms energy: -684.261917 where: bonds (distance) C4'-P energy: -126.404 bonds (distance) P-C4' energy: -143.491 flat angles C4'-P-C4' energy: -146.498 flat angles P-C4'-P energy: -86.804 tors. eta vs tors. theta energy: -181.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2059.425529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.425529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.425529 (E_RNA) where: Base-Base interactions energy: -1375.035 where: short stacking energy: -562.147 Base-Backbone interact. energy: 7.242 local terms energy: -691.633495 where: bonds (distance) C4'-P energy: -125.522 bonds (distance) P-C4' energy: -147.580 flat angles C4'-P-C4' energy: -150.975 flat angles P-C4'-P energy: -98.739 tors. eta vs tors. theta energy: -168.818 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: 6, replica: 7 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1971.660177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.660177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.660177 (E_RNA) where: Base-Base interactions energy: -1340.610 where: short stacking energy: -586.614 Base-Backbone interact. energy: -2.643 local terms energy: -628.407470 where: bonds (distance) C4'-P energy: -117.407 bonds (distance) P-C4' energy: -133.395 flat angles C4'-P-C4' energy: -145.220 flat angles P-C4'-P energy: -77.514 tors. eta vs tors. theta energy: -154.871 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: 9 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1502.298404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.298404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.298404 (E_RNA) where: Base-Base interactions energy: -944.168 where: short stacking energy: -435.958 Base-Backbone interact. energy: 1.123 local terms energy: -559.254178 where: bonds (distance) C4'-P energy: -131.485 bonds (distance) P-C4' energy: -123.001 flat angles C4'-P-C4' energy: -124.780 flat angles P-C4'-P energy: -84.601 tors. eta vs tors. theta energy: -95.388 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: 5 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1538.033183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.033183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.033183 (E_RNA) where: Base-Base interactions energy: -978.646 where: short stacking energy: -455.244 Base-Backbone interact. energy: 0.599 local terms energy: -559.986696 where: bonds (distance) C4'-P energy: -106.526 bonds (distance) P-C4' energy: -141.399 flat angles C4'-P-C4' energy: -135.652 flat angles P-C4'-P energy: -77.263 tors. eta vs tors. theta energy: -99.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1286.296581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.296581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.296581 (E_RNA) where: Base-Base interactions energy: -798.659 where: short stacking energy: -383.268 Base-Backbone interact. energy: 2.743 local terms energy: -490.380764 where: bonds (distance) C4'-P energy: -130.872 bonds (distance) P-C4' energy: -93.740 flat angles C4'-P-C4' energy: -125.576 flat angles P-C4'-P energy: -79.902 tors. eta vs tors. theta energy: -60.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -812.162827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.162827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.162827 (E_RNA) where: Base-Base interactions energy: -435.333 where: short stacking energy: -255.202 Base-Backbone interact. energy: -0.682 local terms energy: -376.147991 where: bonds (distance) C4'-P energy: -98.353 bonds (distance) P-C4' energy: -108.568 flat angles C4'-P-C4' energy: -98.098 flat angles P-C4'-P energy: -57.870 tors. eta vs tors. theta energy: -13.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2572.608977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.608977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.608977 (E_RNA) where: Base-Base interactions energy: -1775.630 where: short stacking energy: -731.201 Base-Backbone interact. energy: -5.867 local terms energy: -791.111369 where: bonds (distance) C4'-P energy: -158.813 bonds (distance) P-C4' energy: -155.037 flat angles C4'-P-C4' energy: -161.805 flat angles P-C4'-P energy: -105.995 tors. eta vs tors. theta energy: -209.462 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: 3 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2568.441685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.441685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.441685 (E_RNA) where: Base-Base interactions energy: -1741.110 where: short stacking energy: -764.886 Base-Backbone interact. energy: -2.979 local terms energy: -824.352783 where: bonds (distance) C4'-P energy: -140.898 bonds (distance) P-C4' energy: -156.920 flat angles C4'-P-C4' energy: -171.547 flat angles P-C4'-P energy: -117.715 tors. eta vs tors. theta energy: -237.273 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: 3, replica: 8 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2343.810917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.810917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.810917 (E_RNA) where: Base-Base interactions energy: -1590.275 where: short stacking energy: -659.634 Base-Backbone interact. energy: -2.302 local terms energy: -751.234606 where: bonds (distance) C4'-P energy: -141.693 bonds (distance) P-C4' energy: -154.975 flat angles C4'-P-C4' energy: -168.504 flat angles P-C4'-P energy: -100.039 tors. eta vs tors. theta energy: -186.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2219.387514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.387514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.387514 (E_RNA) where: Base-Base interactions energy: -1538.374 where: short stacking energy: -651.803 Base-Backbone interact. energy: -1.551 local terms energy: -679.462404 where: bonds (distance) C4'-P energy: -122.968 bonds (distance) P-C4' energy: -147.702 flat angles C4'-P-C4' energy: -141.559 flat angles P-C4'-P energy: -99.205 tors. eta vs tors. theta energy: -168.029 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: 5, replica: 6 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2107.483571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.483571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.483571 (E_RNA) where: Base-Base interactions energy: -1455.308 where: short stacking energy: -627.200 Base-Backbone interact. energy: -0.328 local terms energy: -651.848170 where: bonds (distance) C4'-P energy: -117.940 bonds (distance) P-C4' energy: -139.743 flat angles C4'-P-C4' energy: -145.889 flat angles P-C4'-P energy: -81.617 tors. eta vs tors. theta energy: -166.660 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: 7 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1975.562161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.562161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.562161 (E_RNA) where: Base-Base interactions energy: -1344.906 where: short stacking energy: -554.738 Base-Backbone interact. energy: -2.355 local terms energy: -628.301849 where: bonds (distance) C4'-P energy: -113.862 bonds (distance) P-C4' energy: -131.656 flat angles C4'-P-C4' energy: -149.830 flat angles P-C4'-P energy: -89.071 tors. eta vs tors. theta energy: -143.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1492.955550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.955550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.955550 (E_RNA) where: Base-Base interactions energy: -937.426 where: short stacking energy: -435.584 Base-Backbone interact. energy: 3.736 local terms energy: -559.265753 where: bonds (distance) C4'-P energy: -142.552 bonds (distance) P-C4' energy: -119.025 flat angles C4'-P-C4' energy: -134.813 flat angles P-C4'-P energy: -84.186 tors. eta vs tors. theta energy: -78.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1402.821209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.821209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.821209 (E_RNA) where: Base-Base interactions energy: -858.328 where: short stacking energy: -395.136 Base-Backbone interact. energy: -0.400 local terms energy: -544.093506 where: bonds (distance) C4'-P energy: -117.864 bonds (distance) P-C4' energy: -128.826 flat angles C4'-P-C4' energy: -133.455 flat angles P-C4'-P energy: -72.042 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: 9, replica: 10 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -1227.770588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.770588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.770588 (E_RNA) where: Base-Base interactions energy: -736.235 where: short stacking energy: -337.882 Base-Backbone interact. energy: 0.848 local terms energy: -492.382797 where: bonds (distance) C4'-P energy: -113.053 bonds (distance) P-C4' energy: -106.061 flat angles C4'-P-C4' energy: -127.809 flat angles P-C4'-P energy: -87.473 tors. eta vs tors. theta energy: -57.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -849.233066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.233066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.233066 (E_RNA) where: Base-Base interactions energy: -438.462 where: short stacking energy: -256.820 Base-Backbone interact. energy: 0.654 local terms energy: -411.424969 where: bonds (distance) C4'-P energy: -109.755 bonds (distance) P-C4' energy: -122.641 flat angles C4'-P-C4' energy: -109.411 flat angles P-C4'-P energy: -60.678 tors. eta vs tors. theta energy: -8.940 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: 1, replica: 3 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -2590.899257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.899257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.899257 (E_RNA) where: Base-Base interactions energy: -1788.708 where: short stacking energy: -783.890 Base-Backbone interact. energy: -0.786 local terms energy: -801.405692 where: bonds (distance) C4'-P energy: -138.328 bonds (distance) P-C4' energy: -149.422 flat angles C4'-P-C4' energy: -171.005 flat angles P-C4'-P energy: -112.880 tors. eta vs tors. theta energy: -229.771 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: 2 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2550.153381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.153381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.153381 (E_RNA) where: Base-Base interactions energy: -1789.183 where: short stacking energy: -741.091 Base-Backbone interact. energy: -1.673 local terms energy: -759.297131 where: bonds (distance) C4'-P energy: -135.108 bonds (distance) P-C4' energy: -132.410 flat angles C4'-P-C4' energy: -168.198 flat angles P-C4'-P energy: -106.164 tors. eta vs tors. theta energy: -217.417 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: 8 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2323.442892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.442892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.442892 (E_RNA) where: Base-Base interactions energy: -1589.540 where: short stacking energy: -657.722 Base-Backbone interact. energy: -4.856 local terms energy: -729.047142 where: bonds (distance) C4'-P energy: -138.591 bonds (distance) P-C4' energy: -135.247 flat angles C4'-P-C4' energy: -167.131 flat angles P-C4'-P energy: -111.888 tors. eta vs tors. theta energy: -176.190 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: 4, replica: 4 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2253.699127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.699127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.699127 (E_RNA) where: Base-Base interactions energy: -1538.370 where: short stacking energy: -658.448 Base-Backbone interact. energy: -1.803 local terms energy: -713.526667 where: bonds (distance) C4'-P energy: -144.378 bonds (distance) P-C4' energy: -133.189 flat angles C4'-P-C4' energy: -159.389 flat angles P-C4'-P energy: -99.484 tors. eta vs tors. theta energy: -177.087 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: 6 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2109.233093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.233093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.233093 (E_RNA) where: Base-Base interactions energy: -1450.154 where: short stacking energy: -626.286 Base-Backbone interact. energy: -1.955 local terms energy: -657.123975 where: bonds (distance) C4'-P energy: -124.099 bonds (distance) P-C4' energy: -141.934 flat angles C4'-P-C4' energy: -140.792 flat angles P-C4'-P energy: -85.540 tors. eta vs tors. theta energy: -164.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1947.572479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.572479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.572479 (E_RNA) where: Base-Base interactions energy: -1331.131 where: short stacking energy: -547.735 Base-Backbone interact. energy: 0.735 local terms energy: -617.176017 where: bonds (distance) C4'-P energy: -121.482 bonds (distance) P-C4' energy: -128.830 flat angles C4'-P-C4' energy: -153.853 flat angles P-C4'-P energy: -75.962 tors. eta vs tors. theta energy: -137.049 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: 9 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1523.766027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.766027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.766027 (E_RNA) where: Base-Base interactions energy: -979.305 where: short stacking energy: -458.622 Base-Backbone interact. energy: -1.003 local terms energy: -543.457649 where: bonds (distance) C4'-P energy: -127.214 bonds (distance) P-C4' energy: -134.997 flat angles C4'-P-C4' energy: -127.557 flat angles P-C4'-P energy: -64.329 tors. eta vs tors. theta energy: -89.360 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: 5 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1497.000868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.000868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.000868 (E_RNA) where: Base-Base interactions energy: -964.831 where: short stacking energy: -436.700 Base-Backbone interact. energy: 1.771 local terms energy: -533.940691 where: bonds (distance) C4'-P energy: -128.661 bonds (distance) P-C4' energy: -127.333 flat angles C4'-P-C4' energy: -124.235 flat angles P-C4'-P energy: -73.005 tors. eta vs tors. theta energy: -80.707 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: 10 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1155.719559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.719559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.719559 (E_RNA) where: Base-Base interactions energy: -683.743 where: short stacking energy: -339.430 Base-Backbone interact. energy: 1.131 local terms energy: -473.107721 where: bonds (distance) C4'-P energy: -99.635 bonds (distance) P-C4' energy: -123.067 flat angles C4'-P-C4' energy: -119.592 flat angles P-C4'-P energy: -74.845 tors. eta vs tors. theta energy: -55.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -847.882062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.882062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.882062 (E_RNA) where: Base-Base interactions energy: -466.276 where: short stacking energy: -244.670 Base-Backbone interact. energy: 4.028 local terms energy: -385.633755 where: bonds (distance) C4'-P energy: -104.087 bonds (distance) P-C4' energy: -110.972 flat angles C4'-P-C4' energy: -99.587 flat angles P-C4'-P energy: -66.226 tors. eta vs tors. theta energy: -4.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -2571.905668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.905668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.905668 (E_RNA) where: Base-Base interactions energy: -1749.384 where: short stacking energy: -755.121 Base-Backbone interact. energy: -3.456 local terms energy: -819.065584 where: bonds (distance) C4'-P energy: -152.299 bonds (distance) P-C4' energy: -161.856 flat angles C4'-P-C4' energy: -158.922 flat angles P-C4'-P energy: -119.257 tors. eta vs tors. theta energy: -226.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2542.681219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.681219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.681219 (E_RNA) where: Base-Base interactions energy: -1757.257 where: short stacking energy: -711.338 Base-Backbone interact. energy: -3.743 local terms energy: -781.680963 where: bonds (distance) C4'-P energy: -144.485 bonds (distance) P-C4' energy: -146.576 flat angles C4'-P-C4' energy: -169.307 flat angles P-C4'-P energy: -117.367 tors. eta vs tors. theta energy: -203.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2302.662538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.662538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.662538 (E_RNA) where: Base-Base interactions energy: -1597.004 where: short stacking energy: -660.872 Base-Backbone interact. energy: -5.514 local terms energy: -700.144616 where: bonds (distance) C4'-P energy: -120.972 bonds (distance) P-C4' energy: -150.090 flat angles C4'-P-C4' energy: -160.236 flat angles P-C4'-P energy: -96.938 tors. eta vs tors. theta energy: -171.908 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: 4 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2263.351394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.351394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.351394 (E_RNA) where: Base-Base interactions energy: -1549.715 where: short stacking energy: -662.214 Base-Backbone interact. energy: -2.360 local terms energy: -711.275617 where: bonds (distance) C4'-P energy: -139.047 bonds (distance) P-C4' energy: -143.548 flat angles C4'-P-C4' energy: -147.136 flat angles P-C4'-P energy: -93.853 tors. eta vs tors. theta energy: -187.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2077.362526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.362526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.362526 (E_RNA) where: Base-Base interactions energy: -1406.616 where: short stacking energy: -580.535 Base-Backbone interact. energy: -1.413 local terms energy: -669.332842 where: bonds (distance) C4'-P energy: -130.419 bonds (distance) P-C4' energy: -144.631 flat angles C4'-P-C4' energy: -141.875 flat angles P-C4'-P energy: -108.473 tors. eta vs tors. theta energy: -143.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1896.733838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.733838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.733838 (E_RNA) where: Base-Base interactions energy: -1282.529 where: short stacking energy: -517.672 Base-Backbone interact. energy: -3.110 local terms energy: -611.094737 where: bonds (distance) C4'-P energy: -120.080 bonds (distance) P-C4' energy: -129.195 flat angles C4'-P-C4' energy: -148.496 flat angles P-C4'-P energy: -98.225 tors. eta vs tors. theta energy: -115.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1466.999017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.999017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.999017 (E_RNA) where: Base-Base interactions energy: -929.299 where: short stacking energy: -454.325 Base-Backbone interact. energy: 0.636 local terms energy: -538.335802 where: bonds (distance) C4'-P energy: -126.649 bonds (distance) P-C4' energy: -124.598 flat angles C4'-P-C4' energy: -129.617 flat angles P-C4'-P energy: -85.314 tors. eta vs tors. theta energy: -72.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1519.889314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.889314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.889314 (E_RNA) where: Base-Base interactions energy: -939.906 where: short stacking energy: -428.580 Base-Backbone interact. energy: 3.330 local terms energy: -583.313123 where: bonds (distance) C4'-P energy: -123.689 bonds (distance) P-C4' energy: -120.163 flat angles C4'-P-C4' energy: -134.561 flat angles P-C4'-P energy: -95.195 tors. eta vs tors. theta energy: -109.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1133.462556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.462556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.462556 (E_RNA) where: Base-Base interactions energy: -670.213 where: short stacking energy: -353.376 Base-Backbone interact. energy: 4.168 local terms energy: -467.416983 where: bonds (distance) C4'-P energy: -128.242 bonds (distance) P-C4' energy: -103.854 flat angles C4'-P-C4' energy: -110.475 flat angles P-C4'-P energy: -77.735 tors. eta vs tors. theta energy: -47.111 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: 1 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -846.350660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.350660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.350660 (E_RNA) where: Base-Base interactions energy: -426.978 where: short stacking energy: -227.657 Base-Backbone interact. energy: -2.365 local terms energy: -417.007498 where: bonds (distance) C4'-P energy: -121.069 bonds (distance) P-C4' energy: -142.554 flat angles C4'-P-C4' energy: -104.972 flat angles P-C4'-P energy: -57.874 tors. eta vs tors. theta energy: 9.462 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: 3 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -2609.637726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.637726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.637726 (E_RNA) where: Base-Base interactions energy: -1764.752 where: short stacking energy: -766.691 Base-Backbone interact. energy: -0.998 local terms energy: -843.887181 where: bonds (distance) C4'-P energy: -148.621 bonds (distance) P-C4' energy: -168.379 flat angles C4'-P-C4' energy: -181.514 flat angles P-C4'-P energy: -120.002 tors. eta vs tors. theta energy: -225.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2527.182049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.182049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.182049 (E_RNA) where: Base-Base interactions energy: -1742.714 where: short stacking energy: -733.917 Base-Backbone interact. energy: -5.313 local terms energy: -779.155075 where: bonds (distance) C4'-P energy: -135.877 bonds (distance) P-C4' energy: -147.323 flat angles C4'-P-C4' energy: -167.419 flat angles P-C4'-P energy: -104.511 tors. eta vs tors. theta energy: -224.025 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: 8 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2300.893939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.893939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.893939 (E_RNA) where: Base-Base interactions energy: -1547.544 where: short stacking energy: -660.360 Base-Backbone interact. energy: 0.722 local terms energy: -754.071527 where: bonds (distance) C4'-P energy: -145.477 bonds (distance) P-C4' energy: -147.336 flat angles C4'-P-C4' energy: -165.791 flat angles P-C4'-P energy: -111.855 tors. eta vs tors. theta energy: -183.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2288.030779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.030779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.030779 (E_RNA) where: Base-Base interactions energy: -1599.281 where: short stacking energy: -662.934 Base-Backbone interact. energy: -3.499 local terms energy: -685.250793 where: bonds (distance) C4'-P energy: -118.514 bonds (distance) P-C4' energy: -128.562 flat angles C4'-P-C4' energy: -156.020 flat angles P-C4'-P energy: -95.629 tors. eta vs tors. theta energy: -186.525 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: 6 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2068.533783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.533783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.533783 (E_RNA) where: Base-Base interactions energy: -1420.230 where: short stacking energy: -580.484 Base-Backbone interact. energy: -0.542 local terms energy: -647.761158 where: bonds (distance) C4'-P energy: -120.347 bonds (distance) P-C4' energy: -149.886 flat angles C4'-P-C4' energy: -142.330 flat angles P-C4'-P energy: -81.518 tors. eta vs tors. theta energy: -153.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1932.525351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.525351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.525351 (E_RNA) where: Base-Base interactions energy: -1308.491 where: short stacking energy: -557.479 Base-Backbone interact. energy: -2.733 local terms energy: -621.301477 where: bonds (distance) C4'-P energy: -122.289 bonds (distance) P-C4' energy: -126.634 flat angles C4'-P-C4' energy: -139.296 flat angles P-C4'-P energy: -84.158 tors. eta vs tors. theta energy: -148.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1459.970080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.970080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.970080 (E_RNA) where: Base-Base interactions energy: -867.755 where: short stacking energy: -410.278 Base-Backbone interact. energy: 1.315 local terms energy: -593.530326 where: bonds (distance) C4'-P energy: -140.532 bonds (distance) P-C4' energy: -154.742 flat angles C4'-P-C4' energy: -134.546 flat angles P-C4'-P energy: -90.884 tors. eta vs tors. theta energy: -72.828 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: 5 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1395.189549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.189549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.189549 (E_RNA) where: Base-Base interactions energy: -870.267 where: short stacking energy: -409.350 Base-Backbone interact. energy: -0.595 local terms energy: -524.328123 where: bonds (distance) C4'-P energy: -119.906 bonds (distance) P-C4' energy: -117.228 flat angles C4'-P-C4' energy: -121.089 flat angles P-C4'-P energy: -84.653 tors. eta vs tors. theta energy: -81.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1193.964816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.964816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.964816 (E_RNA) where: Base-Base interactions energy: -704.276 where: short stacking energy: -360.371 Base-Backbone interact. energy: 1.096 local terms energy: -490.784627 where: bonds (distance) C4'-P energy: -105.692 bonds (distance) P-C4' energy: -125.157 flat angles C4'-P-C4' energy: -130.997 flat angles P-C4'-P energy: -79.209 tors. eta vs tors. theta energy: -49.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -832.337048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.337048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.337048 (E_RNA) where: Base-Base interactions energy: -434.824 where: short stacking energy: -226.006 Base-Backbone interact. energy: 3.615 local terms energy: -401.128354 where: bonds (distance) C4'-P energy: -121.579 bonds (distance) P-C4' energy: -113.907 flat angles C4'-P-C4' energy: -88.976 flat angles P-C4'-P energy: -81.418 tors. eta vs tors. theta energy: 4.751 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: 3 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -2618.576753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.576753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.576753 (E_RNA) where: Base-Base interactions energy: -1786.632 where: short stacking energy: -760.162 Base-Backbone interact. energy: -1.097 local terms energy: -830.847971 where: bonds (distance) C4'-P energy: -159.279 bonds (distance) P-C4' energy: -159.644 flat angles C4'-P-C4' energy: -170.981 flat angles P-C4'-P energy: -121.567 tors. eta vs tors. theta energy: -219.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2519.554771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.554771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.554771 (E_RNA) where: Base-Base interactions energy: -1751.961 where: short stacking energy: -729.316 Base-Backbone interact. energy: -3.813 local terms energy: -763.780670 where: bonds (distance) C4'-P energy: -129.302 bonds (distance) P-C4' energy: -155.161 flat angles C4'-P-C4' energy: -161.684 flat angles P-C4'-P energy: -111.454 tors. eta vs tors. theta energy: -206.180 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: 3, replica: 8 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2353.450031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.450031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.450031 (E_RNA) where: Base-Base interactions energy: -1592.961 where: short stacking energy: -703.116 Base-Backbone interact. energy: 0.240 local terms energy: -760.729229 where: bonds (distance) C4'-P energy: -135.091 bonds (distance) P-C4' energy: -148.819 flat angles C4'-P-C4' energy: -167.033 flat angles P-C4'-P energy: -106.983 tors. eta vs tors. theta energy: -202.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2214.420588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.420588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.420588 (E_RNA) where: Base-Base interactions energy: -1547.346 where: short stacking energy: -648.241 Base-Backbone interact. energy: 0.012 local terms energy: -667.087177 where: bonds (distance) C4'-P energy: -119.948 bonds (distance) P-C4' energy: -134.667 flat angles C4'-P-C4' energy: -151.704 flat angles P-C4'-P energy: -95.315 tors. eta vs tors. theta energy: -165.453 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: 269 Temperature: 1.100000 Total energy: -2081.544329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.544329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.544329 (E_RNA) where: Base-Base interactions energy: -1420.760 where: short stacking energy: -597.373 Base-Backbone interact. energy: 2.983 local terms energy: -663.766566 where: bonds (distance) C4'-P energy: -128.425 bonds (distance) P-C4' energy: -133.748 flat angles C4'-P-C4' energy: -145.919 flat angles P-C4'-P energy: -98.615 tors. eta vs tors. theta energy: -157.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1971.499037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.499037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.499037 (E_RNA) where: Base-Base interactions energy: -1374.677 where: short stacking energy: -568.025 Base-Backbone interact. energy: 1.126 local terms energy: -597.948514 where: bonds (distance) C4'-P energy: -119.903 bonds (distance) P-C4' energy: -123.473 flat angles C4'-P-C4' energy: -144.928 flat angles P-C4'-P energy: -69.539 tors. eta vs tors. theta energy: -140.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1471.158235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.158235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.158235 (E_RNA) where: Base-Base interactions energy: -942.936 where: short stacking energy: -439.087 Base-Backbone interact. energy: 8.145 local terms energy: -536.366821 where: bonds (distance) C4'-P energy: -121.055 bonds (distance) P-C4' energy: -139.477 flat angles C4'-P-C4' energy: -114.433 flat angles P-C4'-P energy: -71.601 tors. eta vs tors. theta energy: -89.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1409.577923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.577923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.577923 (E_RNA) where: Base-Base interactions energy: -887.943 where: short stacking energy: -394.871 Base-Backbone interact. energy: -1.949 local terms energy: -519.685530 where: bonds (distance) C4'-P energy: -105.593 bonds (distance) P-C4' energy: -119.167 flat angles C4'-P-C4' energy: -124.643 flat angles P-C4'-P energy: -82.229 tors. eta vs tors. theta energy: -88.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1141.481413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.481413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.481413 (E_RNA) where: Base-Base interactions energy: -677.990 where: short stacking energy: -305.036 Base-Backbone interact. energy: -3.973 local terms energy: -459.518232 where: bonds (distance) C4'-P energy: -108.682 bonds (distance) P-C4' energy: -139.871 flat angles C4'-P-C4' energy: -113.504 flat angles P-C4'-P energy: -68.624 tors. eta vs tors. theta energy: -28.837 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: 1 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -876.559692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.559692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.559692 (E_RNA) where: Base-Base interactions energy: -426.090 where: short stacking energy: -220.310 Base-Backbone interact. energy: 1.387 local terms energy: -451.856632 where: bonds (distance) C4'-P energy: -111.316 bonds (distance) P-C4' energy: -146.242 flat angles C4'-P-C4' energy: -119.520 flat angles P-C4'-P energy: -72.280 tors. eta vs tors. theta energy: -2.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2597.059762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.059762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.059762 (E_RNA) where: Base-Base interactions energy: -1780.487 where: short stacking energy: -764.483 Base-Backbone interact. energy: -1.446 local terms energy: -815.127006 where: bonds (distance) C4'-P energy: -139.610 bonds (distance) P-C4' energy: -161.937 flat angles C4'-P-C4' energy: -170.986 flat angles P-C4'-P energy: -114.310 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: 2, replica: 2 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2552.821808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.821808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.821808 (E_RNA) where: Base-Base interactions energy: -1751.316 where: short stacking energy: -743.871 Base-Backbone interact. energy: -3.008 local terms energy: -798.497637 where: bonds (distance) C4'-P energy: -138.534 bonds (distance) P-C4' energy: -150.090 flat angles C4'-P-C4' energy: -176.699 flat angles P-C4'-P energy: -108.309 tors. eta vs tors. theta energy: -224.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2328.472727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.472727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.472727 (E_RNA) where: Base-Base interactions energy: -1558.877 where: short stacking energy: -677.689 Base-Backbone interact. energy: -5.142 local terms energy: -764.453667 where: bonds (distance) C4'-P energy: -148.645 bonds (distance) P-C4' energy: -152.264 flat angles C4'-P-C4' energy: -162.554 flat angles P-C4'-P energy: -118.545 tors. eta vs tors. theta energy: -182.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2191.508109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.508109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.508109 (E_RNA) where: Base-Base interactions energy: -1529.142 where: short stacking energy: -623.397 Base-Backbone interact. energy: -0.992 local terms energy: -661.373791 where: bonds (distance) C4'-P energy: -120.908 bonds (distance) P-C4' energy: -144.985 flat angles C4'-P-C4' energy: -155.559 flat angles P-C4'-P energy: -86.240 tors. eta vs tors. theta energy: -153.681 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: 270 Temperature: 1.100000 Total energy: -2096.896328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.896328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.896328 (E_RNA) where: Base-Base interactions energy: -1402.049 where: short stacking energy: -597.464 Base-Backbone interact. energy: -1.656 local terms energy: -693.191262 where: bonds (distance) C4'-P energy: -126.587 bonds (distance) P-C4' energy: -158.193 flat angles C4'-P-C4' energy: -156.608 flat angles P-C4'-P energy: -86.091 tors. eta vs tors. theta energy: -165.712 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: 7 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1956.826050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.826050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.826050 (E_RNA) where: Base-Base interactions energy: -1344.981 where: short stacking energy: -559.881 Base-Backbone interact. energy: -3.871 local terms energy: -607.973746 where: bonds (distance) C4'-P energy: -118.409 bonds (distance) P-C4' energy: -131.700 flat angles C4'-P-C4' energy: -137.033 flat angles P-C4'-P energy: -84.565 tors. eta vs tors. theta energy: -136.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1525.846844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.846844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.846844 (E_RNA) where: Base-Base interactions energy: -984.885 where: short stacking energy: -462.914 Base-Backbone interact. energy: 1.161 local terms energy: -542.122284 where: bonds (distance) C4'-P energy: -110.794 bonds (distance) P-C4' energy: -135.508 flat angles C4'-P-C4' energy: -113.260 flat angles P-C4'-P energy: -80.220 tors. eta vs tors. theta energy: -102.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1417.612976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.612976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.612976 (E_RNA) where: Base-Base interactions energy: -883.733 where: short stacking energy: -417.027 Base-Backbone interact. energy: 2.866 local terms energy: -536.746123 where: bonds (distance) C4'-P energy: -125.206 bonds (distance) P-C4' energy: -127.599 flat angles C4'-P-C4' energy: -116.459 flat angles P-C4'-P energy: -61.371 tors. eta vs tors. theta energy: -106.111 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: 9, replica: 10 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1144.289050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.289050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.289050 (E_RNA) where: Base-Base interactions energy: -634.795 where: short stacking energy: -321.351 Base-Backbone interact. energy: 0.204 local terms energy: -509.698150 where: bonds (distance) C4'-P energy: -109.976 bonds (distance) P-C4' energy: -135.671 flat angles C4'-P-C4' energy: -127.730 flat angles P-C4'-P energy: -91.852 tors. eta vs tors. theta energy: -44.469 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: 1 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -877.168310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.168310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.168310 (E_RNA) where: Base-Base interactions energy: -437.958 where: short stacking energy: -233.766 Base-Backbone interact. energy: -1.514 local terms energy: -437.695548 where: bonds (distance) C4'-P energy: -120.724 bonds (distance) P-C4' energy: -132.089 flat angles C4'-P-C4' energy: -109.680 flat angles P-C4'-P energy: -66.309 tors. eta vs tors. theta energy: -8.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2633.220682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.220682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.220682 (E_RNA) where: Base-Base interactions energy: -1808.943 where: short stacking energy: -779.591 Base-Backbone interact. energy: -3.856 local terms energy: -820.421952 where: bonds (distance) C4'-P energy: -157.872 bonds (distance) P-C4' energy: -150.238 flat angles C4'-P-C4' energy: -169.354 flat angles P-C4'-P energy: -112.430 tors. eta vs tors. theta energy: -230.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2542.141095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.141095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.141095 (E_RNA) where: Base-Base interactions energy: -1761.719 where: short stacking energy: -748.378 Base-Backbone interact. energy: 1.337 local terms energy: -781.758992 where: bonds (distance) C4'-P energy: -136.759 bonds (distance) P-C4' energy: -147.938 flat angles C4'-P-C4' energy: -163.503 flat angles P-C4'-P energy: -115.685 tors. eta vs tors. theta energy: -217.874 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: 8 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2325.185616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.185616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.185616 (E_RNA) where: Base-Base interactions energy: -1598.815 where: short stacking energy: -698.508 Base-Backbone interact. energy: -3.227 local terms energy: -723.143482 where: bonds (distance) C4'-P energy: -129.973 bonds (distance) P-C4' energy: -119.814 flat angles C4'-P-C4' energy: -168.962 flat angles P-C4'-P energy: -109.267 tors. eta vs tors. theta energy: -195.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2217.000478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.000478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.000478 (E_RNA) where: Base-Base interactions energy: -1527.127 where: short stacking energy: -622.586 Base-Backbone interact. energy: 0.222 local terms energy: -690.095541 where: bonds (distance) C4'-P energy: -142.015 bonds (distance) P-C4' energy: -137.375 flat angles C4'-P-C4' energy: -160.802 flat angles P-C4'-P energy: -98.732 tors. eta vs tors. theta energy: -151.171 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: 5, replica: 6 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2102.946634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.946634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.946634 (E_RNA) where: Base-Base interactions energy: -1421.488 where: short stacking energy: -622.260 Base-Backbone interact. energy: -0.300 local terms energy: -681.158288 where: bonds (distance) C4'-P energy: -154.512 bonds (distance) P-C4' energy: -134.926 flat angles C4'-P-C4' energy: -151.908 flat angles P-C4'-P energy: -73.683 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: 6, replica: 7 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1933.420606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.420606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.420606 (E_RNA) where: Base-Base interactions energy: -1304.325 where: short stacking energy: -547.289 Base-Backbone interact. energy: -0.009 local terms energy: -629.087227 where: bonds (distance) C4'-P energy: -137.219 bonds (distance) P-C4' energy: -121.439 flat angles C4'-P-C4' energy: -143.226 flat angles P-C4'-P energy: -83.092 tors. eta vs tors. theta energy: -144.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1483.268019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.268019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.268019 (E_RNA) where: Base-Base interactions energy: -965.802 where: short stacking energy: -415.166 Base-Backbone interact. energy: -2.314 local terms energy: -515.151512 where: bonds (distance) C4'-P energy: -117.828 bonds (distance) P-C4' energy: -129.278 flat angles C4'-P-C4' energy: -111.404 flat angles P-C4'-P energy: -77.511 tors. eta vs tors. theta energy: -79.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1365.507461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.507461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.507461 (E_RNA) where: Base-Base interactions energy: -849.696 where: short stacking energy: -405.247 Base-Backbone interact. energy: 5.862 local terms energy: -521.672700 where: bonds (distance) C4'-P energy: -124.175 bonds (distance) P-C4' energy: -134.089 flat angles C4'-P-C4' energy: -120.745 flat angles P-C4'-P energy: -67.683 tors. eta vs tors. theta energy: -74.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1103.028245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.028245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.028245 (E_RNA) where: Base-Base interactions energy: -634.293 where: short stacking energy: -302.084 Base-Backbone interact. energy: -3.840 local terms energy: -464.895152 where: bonds (distance) C4'-P energy: -113.899 bonds (distance) P-C4' energy: -107.094 flat angles C4'-P-C4' energy: -139.876 flat angles P-C4'-P energy: -76.077 tors. eta vs tors. theta energy: -27.949 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: 10, replica: 1 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -830.817110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.817110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.817110 (E_RNA) where: Base-Base interactions energy: -437.588 where: short stacking energy: -238.416 Base-Backbone interact. energy: -2.214 local terms energy: -391.014934 where: bonds (distance) C4'-P energy: -103.748 bonds (distance) P-C4' energy: -120.193 flat angles C4'-P-C4' energy: -118.389 flat angles P-C4'-P energy: -52.980 tors. eta vs tors. theta energy: 4.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2602.276487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.276487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.276487 (E_RNA) where: Base-Base interactions energy: -1785.926 where: short stacking energy: -749.085 Base-Backbone interact. energy: -1.611 local terms energy: -814.739601 where: bonds (distance) C4'-P energy: -155.823 bonds (distance) P-C4' energy: -157.886 flat angles C4'-P-C4' energy: -172.292 flat angles P-C4'-P energy: -103.860 tors. eta vs tors. theta energy: -224.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2517.342129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.342129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.342129 (E_RNA) where: Base-Base interactions energy: -1746.394 where: short stacking energy: -731.936 Base-Backbone interact. energy: 1.136 local terms energy: -772.084242 where: bonds (distance) C4'-P energy: -139.545 bonds (distance) P-C4' energy: -146.350 flat angles C4'-P-C4' energy: -159.060 flat angles P-C4'-P energy: -108.207 tors. eta vs tors. theta energy: -218.923 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: 8 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2328.268167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.268167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.268167 (E_RNA) where: Base-Base interactions energy: -1581.772 where: short stacking energy: -694.904 Base-Backbone interact. energy: -3.397 local terms energy: -743.099442 where: bonds (distance) C4'-P energy: -140.261 bonds (distance) P-C4' energy: -155.308 flat angles C4'-P-C4' energy: -147.363 flat angles P-C4'-P energy: -95.739 tors. eta vs tors. theta energy: -204.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2229.687868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.687868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.687868 (E_RNA) where: Base-Base interactions energy: -1572.151 where: short stacking energy: -619.513 Base-Backbone interact. energy: 1.357 local terms energy: -658.893946 where: bonds (distance) C4'-P energy: -129.725 bonds (distance) P-C4' energy: -133.080 flat angles C4'-P-C4' energy: -143.412 flat angles P-C4'-P energy: -91.470 tors. eta vs tors. theta energy: -161.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -2071.141886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.141886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.141886 (E_RNA) where: Base-Base interactions energy: -1377.573 where: short stacking energy: -606.736 Base-Backbone interact. energy: -4.313 local terms energy: -689.255711 where: bonds (distance) C4'-P energy: -140.110 bonds (distance) P-C4' energy: -130.429 flat angles C4'-P-C4' energy: -157.896 flat angles P-C4'-P energy: -90.512 tors. eta vs tors. theta energy: -170.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1968.556941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.556941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.556941 (E_RNA) where: Base-Base interactions energy: -1336.031 where: short stacking energy: -560.768 Base-Backbone interact. energy: -2.868 local terms energy: -629.657890 where: bonds (distance) C4'-P energy: -118.353 bonds (distance) P-C4' energy: -158.960 flat angles C4'-P-C4' energy: -144.570 flat angles P-C4'-P energy: -77.986 tors. eta vs tors. theta energy: -129.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1523.866707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.866707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.866707 (E_RNA) where: Base-Base interactions energy: -907.687 where: short stacking energy: -442.079 Base-Backbone interact. energy: -2.156 local terms energy: -614.024542 where: bonds (distance) C4'-P energy: -120.275 bonds (distance) P-C4' energy: -131.582 flat angles C4'-P-C4' energy: -150.288 flat angles P-C4'-P energy: -109.862 tors. eta vs tors. theta energy: -102.017 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: 5 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1375.301700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.301700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.301700 (E_RNA) where: Base-Base interactions energy: -846.750 where: short stacking energy: -379.781 Base-Backbone interact. energy: -3.281 local terms energy: -525.270055 where: bonds (distance) C4'-P energy: -119.839 bonds (distance) P-C4' energy: -120.679 flat angles C4'-P-C4' energy: -133.428 flat angles P-C4'-P energy: -76.284 tors. eta vs tors. theta energy: -75.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1085.813277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.813277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.813277 (E_RNA) where: Base-Base interactions energy: -626.876 where: short stacking energy: -311.683 Base-Backbone interact. energy: 4.161 local terms energy: -463.097735 where: bonds (distance) C4'-P energy: -122.713 bonds (distance) P-C4' energy: -102.237 flat angles C4'-P-C4' energy: -118.886 flat angles P-C4'-P energy: -74.309 tors. eta vs tors. theta energy: -44.953 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: 1 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -845.490788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.490788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.490788 (E_RNA) where: Base-Base interactions energy: -430.762 where: short stacking energy: -239.251 Base-Backbone interact. energy: 0.499 local terms energy: -415.227437 where: bonds (distance) C4'-P energy: -106.125 bonds (distance) P-C4' energy: -107.525 flat angles C4'-P-C4' energy: -109.436 flat angles P-C4'-P energy: -76.086 tors. eta vs tors. theta energy: -16.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2610.291755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.291755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.291755 (E_RNA) where: Base-Base interactions energy: -1814.727 where: short stacking energy: -776.429 Base-Backbone interact. energy: -1.617 local terms energy: -793.947953 where: bonds (distance) C4'-P energy: -138.658 bonds (distance) P-C4' energy: -144.098 flat angles C4'-P-C4' energy: -173.944 flat angles P-C4'-P energy: -111.571 tors. eta vs tors. theta energy: -225.676 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: 2 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -2553.576752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.576752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.576752 (E_RNA) where: Base-Base interactions energy: -1785.947 where: short stacking energy: -745.838 Base-Backbone interact. energy: -1.883 local terms energy: -765.746578 where: bonds (distance) C4'-P energy: -141.545 bonds (distance) P-C4' energy: -136.933 flat angles C4'-P-C4' energy: -177.295 flat angles P-C4'-P energy: -95.567 tors. eta vs tors. theta energy: -214.406 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: 3, replica: 8 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2329.451942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.451942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.451942 (E_RNA) where: Base-Base interactions energy: -1598.535 where: short stacking energy: -692.195 Base-Backbone interact. energy: -3.996 local terms energy: -726.920661 where: bonds (distance) C4'-P energy: -137.362 bonds (distance) P-C4' energy: -136.957 flat angles C4'-P-C4' energy: -150.768 flat angles P-C4'-P energy: -95.341 tors. eta vs tors. theta energy: -206.493 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: 4 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2222.845039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.845039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.845039 (E_RNA) where: Base-Base interactions energy: -1563.208 where: short stacking energy: -635.687 Base-Backbone interact. energy: 2.986 local terms energy: -662.623549 where: bonds (distance) C4'-P energy: -118.549 bonds (distance) P-C4' energy: -152.993 flat angles C4'-P-C4' energy: -156.461 flat angles P-C4'-P energy: -86.534 tors. eta vs tors. theta energy: -148.087 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: 6 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2056.955510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.955510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.955510 (E_RNA) where: Base-Base interactions energy: -1423.987 where: short stacking energy: -612.610 Base-Backbone interact. energy: -1.300 local terms energy: -631.667942 where: bonds (distance) C4'-P energy: -120.152 bonds (distance) P-C4' energy: -133.217 flat angles C4'-P-C4' energy: -143.489 flat angles P-C4'-P energy: -92.647 tors. eta vs tors. theta energy: -142.163 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: 6, replica: 7 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1963.785187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.785187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.785187 (E_RNA) where: Base-Base interactions energy: -1340.905 where: short stacking energy: -565.655 Base-Backbone interact. energy: -6.161 local terms energy: -616.718467 where: bonds (distance) C4'-P energy: -107.461 bonds (distance) P-C4' energy: -136.085 flat angles C4'-P-C4' energy: -132.110 flat angles P-C4'-P energy: -97.589 tors. eta vs tors. theta energy: -143.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1534.253141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.253141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.253141 (E_RNA) where: Base-Base interactions energy: -982.608 where: short stacking energy: -443.755 Base-Backbone interact. energy: 0.162 local terms energy: -551.807561 where: bonds (distance) C4'-P energy: -117.017 bonds (distance) P-C4' energy: -130.764 flat angles C4'-P-C4' energy: -146.685 flat angles P-C4'-P energy: -82.287 tors. eta vs tors. theta energy: -75.054 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: 5 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1362.810956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.810956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.810956 (E_RNA) where: Base-Base interactions energy: -861.007 where: short stacking energy: -384.668 Base-Backbone interact. energy: 0.463 local terms energy: -502.267288 where: bonds (distance) C4'-P energy: -126.593 bonds (distance) P-C4' energy: -117.852 flat angles C4'-P-C4' energy: -117.900 flat angles P-C4'-P energy: -61.981 tors. eta vs tors. theta energy: -77.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1117.444118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.444118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.444118 (E_RNA) where: Base-Base interactions energy: -634.233 where: short stacking energy: -319.402 Base-Backbone interact. energy: -1.841 local terms energy: -481.369837 where: bonds (distance) C4'-P energy: -131.679 bonds (distance) P-C4' energy: -100.518 flat angles C4'-P-C4' energy: -124.425 flat angles P-C4'-P energy: -82.420 tors. eta vs tors. theta energy: -42.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -849.517655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.517655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.517655 (E_RNA) where: Base-Base interactions energy: -420.371 where: short stacking energy: -236.724 Base-Backbone interact. energy: 4.157 local terms energy: -433.302802 where: bonds (distance) C4'-P energy: -134.197 bonds (distance) P-C4' energy: -108.060 flat angles C4'-P-C4' energy: -101.855 flat angles P-C4'-P energy: -72.699 tors. eta vs tors. theta energy: -16.492 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: 3 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2630.033477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.033477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.033477 (E_RNA) where: Base-Base interactions energy: -1807.902 where: short stacking energy: -759.906 Base-Backbone interact. energy: -2.346 local terms energy: -819.785567 where: bonds (distance) C4'-P energy: -136.790 bonds (distance) P-C4' energy: -145.816 flat angles C4'-P-C4' energy: -180.718 flat angles P-C4'-P energy: -130.790 tors. eta vs tors. theta energy: -225.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2531.044921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.044921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.044921 (E_RNA) where: Base-Base interactions energy: -1756.784 where: short stacking energy: -737.982 Base-Backbone interact. energy: 1.487 local terms energy: -775.747828 where: bonds (distance) C4'-P energy: -146.702 bonds (distance) P-C4' energy: -146.905 flat angles C4'-P-C4' energy: -171.273 flat angles P-C4'-P energy: -95.702 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: 8 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2324.562623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.562623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.562623 (E_RNA) where: Base-Base interactions energy: -1601.543 where: short stacking energy: -688.970 Base-Backbone interact. energy: -3.586 local terms energy: -719.434065 where: bonds (distance) C4'-P energy: -135.727 bonds (distance) P-C4' energy: -133.953 flat angles C4'-P-C4' energy: -163.854 flat angles P-C4'-P energy: -94.398 tors. eta vs tors. theta energy: -191.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2245.188100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.188100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.188100 (E_RNA) where: Base-Base interactions energy: -1564.668 where: short stacking energy: -652.097 Base-Backbone interact. energy: -3.563 local terms energy: -676.957665 where: bonds (distance) C4'-P energy: -132.282 bonds (distance) P-C4' energy: -135.978 flat angles C4'-P-C4' energy: -148.160 flat angles P-C4'-P energy: -74.322 tors. eta vs tors. theta energy: -186.214 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: 7 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2045.261898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.261898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.261898 (E_RNA) where: Base-Base interactions energy: -1364.574 where: short stacking energy: -558.544 Base-Backbone interact. energy: -1.598 local terms energy: -679.090261 where: bonds (distance) C4'-P energy: -150.073 bonds (distance) P-C4' energy: -138.088 flat angles C4'-P-C4' energy: -149.303 flat angles P-C4'-P energy: -97.193 tors. eta vs tors. theta energy: -144.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -2026.953911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.953911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.953911 (E_RNA) where: Base-Base interactions energy: -1396.462 where: short stacking energy: -583.341 Base-Backbone interact. energy: -1.917 local terms energy: -628.574822 where: bonds (distance) C4'-P energy: -120.158 bonds (distance) P-C4' energy: -126.048 flat angles C4'-P-C4' energy: -138.251 flat angles P-C4'-P energy: -86.656 tors. eta vs tors. theta energy: -157.461 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: 9 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1492.254559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.254559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.254559 (E_RNA) where: Base-Base interactions energy: -894.727 where: short stacking energy: -401.655 Base-Backbone interact. energy: 1.802 local terms energy: -599.329625 where: bonds (distance) C4'-P energy: -144.928 bonds (distance) P-C4' energy: -146.294 flat angles C4'-P-C4' energy: -127.217 flat angles P-C4'-P energy: -83.967 tors. eta vs tors. theta energy: -96.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1386.677885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.677885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.677885 (E_RNA) where: Base-Base interactions energy: -875.254 where: short stacking energy: -402.849 Base-Backbone interact. energy: 0.628 local terms energy: -512.051553 where: bonds (distance) C4'-P energy: -126.456 bonds (distance) P-C4' energy: -118.397 flat angles C4'-P-C4' energy: -125.040 flat angles P-C4'-P energy: -60.392 tors. eta vs tors. theta energy: -81.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1056.942224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.942224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.942224 (E_RNA) where: Base-Base interactions energy: -580.565 where: short stacking energy: -312.163 Base-Backbone interact. energy: -1.182 local terms energy: -475.195049 where: bonds (distance) C4'-P energy: -127.189 bonds (distance) P-C4' energy: -124.909 flat angles C4'-P-C4' energy: -119.496 flat angles P-C4'-P energy: -65.983 tors. eta vs tors. theta energy: -37.618 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: 1 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -764.294990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.294990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.294990 (E_RNA) where: Base-Base interactions energy: -374.116 where: short stacking energy: -201.583 Base-Backbone interact. energy: 4.110 local terms energy: -394.288726 where: bonds (distance) C4'-P energy: -102.379 bonds (distance) P-C4' energy: -121.610 flat angles C4'-P-C4' energy: -112.271 flat angles P-C4'-P energy: -59.075 tors. eta vs tors. theta energy: 1.047 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: 3 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2613.878732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.878732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.878732 (E_RNA) where: Base-Base interactions energy: -1781.134 where: short stacking energy: -766.310 Base-Backbone interact. energy: -4.489 local terms energy: -828.256306 where: bonds (distance) C4'-P energy: -151.609 bonds (distance) P-C4' energy: -156.774 flat angles C4'-P-C4' energy: -171.245 flat angles P-C4'-P energy: -111.780 tors. eta vs tors. theta energy: -236.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2509.476969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.476969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.476969 (E_RNA) where: Base-Base interactions energy: -1730.714 where: short stacking energy: -749.976 Base-Backbone interact. energy: -0.186 local terms energy: -778.576943 where: bonds (distance) C4'-P energy: -142.322 bonds (distance) P-C4' energy: -153.824 flat angles C4'-P-C4' energy: -162.274 flat angles P-C4'-P energy: -108.456 tors. eta vs tors. theta energy: -211.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2329.674917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.674917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.674917 (E_RNA) where: Base-Base interactions energy: -1588.352 where: short stacking energy: -678.071 Base-Backbone interact. energy: -2.535 local terms energy: -738.787032 where: bonds (distance) C4'-P energy: -143.518 bonds (distance) P-C4' energy: -123.174 flat angles C4'-P-C4' energy: -156.788 flat angles P-C4'-P energy: -119.510 tors. eta vs tors. theta energy: -195.797 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: 4 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2238.325648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.325648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.325648 (E_RNA) where: Base-Base interactions energy: -1557.037 where: short stacking energy: -639.513 Base-Backbone interact. energy: -1.408 local terms energy: -679.880388 where: bonds (distance) C4'-P energy: -145.278 bonds (distance) P-C4' energy: -127.355 flat angles C4'-P-C4' energy: -153.090 flat angles P-C4'-P energy: -89.715 tors. eta vs tors. theta energy: -164.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2115.290301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.290301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.290301 (E_RNA) where: Base-Base interactions energy: -1464.041 where: short stacking energy: -623.568 Base-Backbone interact. energy: -1.265 local terms energy: -649.983751 where: bonds (distance) C4'-P energy: -126.948 bonds (distance) P-C4' energy: -111.452 flat angles C4'-P-C4' energy: -146.762 flat angles P-C4'-P energy: -94.492 tors. eta vs tors. theta energy: -170.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1976.756568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.756568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.756568 (E_RNA) where: Base-Base interactions energy: -1326.114 where: short stacking energy: -547.305 Base-Backbone interact. energy: -2.909 local terms energy: -647.733092 where: bonds (distance) C4'-P energy: -134.663 bonds (distance) P-C4' energy: -130.056 flat angles C4'-P-C4' energy: -138.579 flat angles P-C4'-P energy: -103.738 tors. eta vs tors. theta energy: -140.697 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: 275 Temperature: 1.200000 Total energy: -1523.747524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.747524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.747524 (E_RNA) where: Base-Base interactions energy: -935.522 where: short stacking energy: -450.978 Base-Backbone interact. energy: -1.329 local terms energy: -587.926206 where: bonds (distance) C4'-P energy: -119.130 bonds (distance) P-C4' energy: -139.592 flat angles C4'-P-C4' energy: -134.214 flat angles P-C4'-P energy: -91.951 tors. eta vs tors. theta energy: -103.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.030 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1304.696777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.696777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.696777 (E_RNA) where: Base-Base interactions energy: -794.964 where: short stacking energy: -379.458 Base-Backbone interact. energy: 3.500 local terms energy: -513.232875 where: bonds (distance) C4'-P energy: -124.385 bonds (distance) P-C4' energy: -122.208 flat angles C4'-P-C4' energy: -131.387 flat angles P-C4'-P energy: -75.670 tors. eta vs tors. theta energy: -59.583 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: 9, replica: 10 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1152.263202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.263202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.263202 (E_RNA) where: Base-Base interactions energy: -700.987 where: short stacking energy: -321.966 Base-Backbone interact. energy: -0.463 local terms energy: -450.813043 where: bonds (distance) C4'-P energy: -118.713 bonds (distance) P-C4' energy: -103.455 flat angles C4'-P-C4' energy: -111.714 flat angles P-C4'-P energy: -71.686 tors. eta vs tors. theta energy: -45.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -781.978582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.978582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.978582 (E_RNA) where: Base-Base interactions energy: -346.563 where: short stacking energy: -197.725 Base-Backbone interact. energy: -1.548 local terms energy: -433.867548 where: bonds (distance) C4'-P energy: -114.919 bonds (distance) P-C4' energy: -140.711 flat angles C4'-P-C4' energy: -113.159 flat angles P-C4'-P energy: -67.333 tors. eta vs tors. theta energy: 2.254 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: 3 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2622.392440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.392440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.392440 (E_RNA) where: Base-Base interactions energy: -1775.186 where: short stacking energy: -779.563 Base-Backbone interact. energy: -1.043 local terms energy: -846.163819 where: bonds (distance) C4'-P energy: -151.590 bonds (distance) P-C4' energy: -152.728 flat angles C4'-P-C4' energy: -179.629 flat angles P-C4'-P energy: -120.604 tors. eta vs tors. theta energy: -241.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2505.220087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.220087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.220087 (E_RNA) where: Base-Base interactions energy: -1734.144 where: short stacking energy: -730.533 Base-Backbone interact. energy: -3.516 local terms energy: -767.559681 where: bonds (distance) C4'-P energy: -124.882 bonds (distance) P-C4' energy: -137.940 flat angles C4'-P-C4' energy: -174.398 flat angles P-C4'-P energy: -121.494 tors. eta vs tors. theta energy: -208.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2341.191259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.191259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.191259 (E_RNA) where: Base-Base interactions energy: -1601.043 where: short stacking energy: -720.377 Base-Backbone interact. energy: -0.218 local terms energy: -739.931022 where: bonds (distance) C4'-P energy: -148.608 bonds (distance) P-C4' energy: -138.361 flat angles C4'-P-C4' energy: -155.173 flat angles P-C4'-P energy: -93.851 tors. eta vs tors. theta energy: -203.939 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: 4 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2231.466082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.466082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.466082 (E_RNA) where: Base-Base interactions energy: -1527.036 where: short stacking energy: -630.014 Base-Backbone interact. energy: -0.449 local terms energy: -703.980226 where: bonds (distance) C4'-P energy: -149.844 bonds (distance) P-C4' energy: -137.719 flat angles C4'-P-C4' energy: -149.827 flat angles P-C4'-P energy: -111.710 tors. eta vs tors. theta energy: -154.880 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: 7 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2102.729273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.729273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.729273 (E_RNA) where: Base-Base interactions energy: -1449.996 where: short stacking energy: -582.984 Base-Backbone interact. energy: 5.957 local terms energy: -658.690704 where: bonds (distance) C4'-P energy: -130.230 bonds (distance) P-C4' energy: -138.556 flat angles C4'-P-C4' energy: -140.744 flat angles P-C4'-P energy: -92.509 tors. eta vs tors. theta energy: -156.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1886.073462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.073462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.073462 (E_RNA) where: Base-Base interactions energy: -1261.942 where: short stacking energy: -524.919 Base-Backbone interact. energy: 1.729 local terms energy: -625.860440 where: bonds (distance) C4'-P energy: -119.077 bonds (distance) P-C4' energy: -134.884 flat angles C4'-P-C4' energy: -146.498 flat angles P-C4'-P energy: -84.301 tors. eta vs tors. theta energy: -141.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1513.217251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.217251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.217251 (E_RNA) where: Base-Base interactions energy: -974.667 where: short stacking energy: -445.248 Base-Backbone interact. energy: 0.004 local terms energy: -538.553947 where: bonds (distance) C4'-P energy: -122.300 bonds (distance) P-C4' energy: -128.801 flat angles C4'-P-C4' energy: -132.256 flat angles P-C4'-P energy: -72.520 tors. eta vs tors. theta energy: -82.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1284.853362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.853362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.853362 (E_RNA) where: Base-Base interactions energy: -785.496 where: short stacking energy: -390.335 Base-Backbone interact. energy: 3.107 local terms energy: -502.464667 where: bonds (distance) C4'-P energy: -128.721 bonds (distance) P-C4' energy: -122.131 flat angles C4'-P-C4' energy: -106.582 flat angles P-C4'-P energy: -70.932 tors. eta vs tors. theta energy: -74.098 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: 10 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1094.259564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.259564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.259564 (E_RNA) where: Base-Base interactions energy: -634.339 where: short stacking energy: -297.391 Base-Backbone interact. energy: -3.653 local terms energy: -456.267736 where: bonds (distance) C4'-P energy: -126.293 bonds (distance) P-C4' energy: -118.020 flat angles C4'-P-C4' energy: -117.825 flat angles P-C4'-P energy: -71.226 tors. eta vs tors. theta energy: -22.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -880.858422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.858422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.858422 (E_RNA) where: Base-Base interactions energy: -445.207 where: short stacking energy: -239.785 Base-Backbone interact. energy: -3.259 local terms energy: -432.392283 where: bonds (distance) C4'-P energy: -110.516 bonds (distance) P-C4' energy: -128.003 flat angles C4'-P-C4' energy: -119.825 flat angles P-C4'-P energy: -65.074 tors. eta vs tors. theta energy: -8.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2621.206858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.206858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.206858 (E_RNA) where: Base-Base interactions energy: -1797.459 where: short stacking energy: -763.024 Base-Backbone interact. energy: -3.037 local terms energy: -820.711415 where: bonds (distance) C4'-P energy: -151.342 bonds (distance) P-C4' energy: -158.041 flat angles C4'-P-C4' energy: -166.467 flat angles P-C4'-P energy: -114.887 tors. eta vs tors. theta energy: -229.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2469.436478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.436478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.436478 (E_RNA) where: Base-Base interactions energy: -1703.705 where: short stacking energy: -731.512 Base-Backbone interact. energy: -4.844 local terms energy: -760.887661 where: bonds (distance) C4'-P energy: -136.817 bonds (distance) P-C4' energy: -150.196 flat angles C4'-P-C4' energy: -163.832 flat angles P-C4'-P energy: -103.924 tors. eta vs tors. theta energy: -206.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2343.094356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.094356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.094356 (E_RNA) where: Base-Base interactions energy: -1609.330 where: short stacking energy: -681.078 Base-Backbone interact. energy: 0.562 local terms energy: -734.326368 where: bonds (distance) C4'-P energy: -143.949 bonds (distance) P-C4' energy: -136.420 flat angles C4'-P-C4' energy: -166.835 flat angles P-C4'-P energy: -99.585 tors. eta vs tors. theta energy: -187.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2222.583472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.583472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.583472 (E_RNA) where: Base-Base interactions energy: -1556.265 where: short stacking energy: -635.628 Base-Backbone interact. energy: 1.249 local terms energy: -667.566859 where: bonds (distance) C4'-P energy: -128.542 bonds (distance) P-C4' energy: -139.463 flat angles C4'-P-C4' energy: -153.117 flat angles P-C4'-P energy: -87.659 tors. eta vs tors. theta energy: -158.786 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: 5, replica: 7 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2170.901396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.901396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.901396 (E_RNA) where: Base-Base interactions energy: -1489.658 where: short stacking energy: -599.903 Base-Backbone interact. energy: -1.820 local terms energy: -679.423254 where: bonds (distance) C4'-P energy: -133.132 bonds (distance) P-C4' energy: -135.303 flat angles C4'-P-C4' energy: -153.488 flat angles P-C4'-P energy: -101.328 tors. eta vs tors. theta energy: -156.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1933.887336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.887336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.887336 (E_RNA) where: Base-Base interactions energy: -1297.400 where: short stacking energy: -551.885 Base-Backbone interact. energy: 2.354 local terms energy: -638.841176 where: bonds (distance) C4'-P energy: -114.355 bonds (distance) P-C4' energy: -140.460 flat angles C4'-P-C4' energy: -140.602 flat angles P-C4'-P energy: -93.501 tors. eta vs tors. theta energy: -149.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1540.362456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.362456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.362456 (E_RNA) where: Base-Base interactions energy: -991.514 where: short stacking energy: -433.518 Base-Backbone interact. energy: 2.925 local terms energy: -551.772665 where: bonds (distance) C4'-P energy: -122.165 bonds (distance) P-C4' energy: -132.978 flat angles C4'-P-C4' energy: -134.452 flat angles P-C4'-P energy: -76.223 tors. eta vs tors. theta energy: -85.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1286.795623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.795623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.795623 (E_RNA) where: Base-Base interactions energy: -783.462 where: short stacking energy: -391.696 Base-Backbone interact. energy: -0.931 local terms energy: -502.402878 where: bonds (distance) C4'-P energy: -117.497 bonds (distance) P-C4' energy: -129.777 flat angles C4'-P-C4' energy: -121.809 flat angles P-C4'-P energy: -71.605 tors. eta vs tors. theta energy: -61.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -1161.533258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.533258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.533258 (E_RNA) where: Base-Base interactions energy: -658.510 where: short stacking energy: -303.829 Base-Backbone interact. energy: -0.551 local terms energy: -502.471371 where: bonds (distance) C4'-P energy: -127.811 bonds (distance) P-C4' energy: -130.668 flat angles C4'-P-C4' energy: -105.822 flat angles P-C4'-P energy: -81.280 tors. eta vs tors. theta energy: -56.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -860.202620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.202620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.202620 (E_RNA) where: Base-Base interactions energy: -480.529 where: short stacking energy: -273.362 Base-Backbone interact. energy: 0.441 local terms energy: -380.114035 where: bonds (distance) C4'-P energy: -105.078 bonds (distance) P-C4' energy: -116.268 flat angles C4'-P-C4' energy: -102.714 flat angles P-C4'-P energy: -48.205 tors. eta vs tors. theta energy: -7.849 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: 3 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2619.656608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.656608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.656608 (E_RNA) where: Base-Base interactions energy: -1821.122 where: short stacking energy: -798.688 Base-Backbone interact. energy: -3.278 local terms energy: -795.257439 where: bonds (distance) C4'-P energy: -137.247 bonds (distance) P-C4' energy: -148.606 flat angles C4'-P-C4' energy: -176.981 flat angles P-C4'-P energy: -106.536 tors. eta vs tors. theta energy: -225.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2422.018346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.018346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.018346 (E_RNA) where: Base-Base interactions energy: -1663.463 where: short stacking energy: -683.492 Base-Backbone interact. energy: -3.263 local terms energy: -755.291993 where: bonds (distance) C4'-P energy: -137.917 bonds (distance) P-C4' energy: -160.640 flat angles C4'-P-C4' energy: -163.083 flat angles P-C4'-P energy: -106.704 tors. eta vs tors. theta energy: -186.948 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: 3, replica: 4 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2308.139127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.139127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.139127 (E_RNA) where: Base-Base interactions energy: -1581.975 where: short stacking energy: -652.786 Base-Backbone interact. energy: -4.597 local terms energy: -721.566962 where: bonds (distance) C4'-P energy: -147.976 bonds (distance) P-C4' energy: -136.150 flat angles C4'-P-C4' energy: -159.407 flat angles P-C4'-P energy: -98.225 tors. eta vs tors. theta energy: -179.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2241.710262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.710262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.710262 (E_RNA) where: Base-Base interactions energy: -1522.600 where: short stacking energy: -620.167 Base-Backbone interact. energy: -2.728 local terms energy: -716.382333 where: bonds (distance) C4'-P energy: -149.691 bonds (distance) P-C4' energy: -157.320 flat angles C4'-P-C4' energy: -136.621 flat angles P-C4'-P energy: -93.390 tors. eta vs tors. theta energy: -179.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2149.054564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.054564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.054564 (E_RNA) where: Base-Base interactions energy: -1473.829 where: short stacking energy: -610.032 Base-Backbone interact. energy: -2.421 local terms energy: -672.805199 where: bonds (distance) C4'-P energy: -126.035 bonds (distance) P-C4' energy: -137.239 flat angles C4'-P-C4' energy: -154.589 flat angles P-C4'-P energy: -80.923 tors. eta vs tors. theta energy: -174.019 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: 6 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1969.858835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.858835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.858835 (E_RNA) where: Base-Base interactions energy: -1314.722 where: short stacking energy: -564.573 Base-Backbone interact. energy: -2.936 local terms energy: -652.200546 where: bonds (distance) C4'-P energy: -118.599 bonds (distance) P-C4' energy: -136.761 flat angles C4'-P-C4' energy: -152.011 flat angles P-C4'-P energy: -85.715 tors. eta vs tors. theta energy: -159.113 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: 278 Temperature: 1.200000 Total energy: -1533.229683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.229683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.229683 (E_RNA) where: Base-Base interactions energy: -974.043 where: short stacking energy: -487.614 Base-Backbone interact. energy: 0.089 local terms energy: -559.276417 where: bonds (distance) C4'-P energy: -106.609 bonds (distance) P-C4' energy: -126.276 flat angles C4'-P-C4' energy: -139.050 flat angles P-C4'-P energy: -78.231 tors. eta vs tors. theta energy: -109.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1308.679573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.679573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.679573 (E_RNA) where: Base-Base interactions energy: -744.608 where: short stacking energy: -373.607 Base-Backbone interact. energy: -2.458 local terms energy: -561.613160 where: bonds (distance) C4'-P energy: -119.739 bonds (distance) P-C4' energy: -130.115 flat angles C4'-P-C4' energy: -137.318 flat angles P-C4'-P energy: -101.736 tors. eta vs tors. theta energy: -72.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1124.804520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.804520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.804520 (E_RNA) where: Base-Base interactions energy: -692.389 where: short stacking energy: -316.302 Base-Backbone interact. energy: 0.360 local terms energy: -432.775377 where: bonds (distance) C4'-P energy: -105.835 bonds (distance) P-C4' energy: -110.898 flat angles C4'-P-C4' energy: -119.116 flat angles P-C4'-P energy: -66.322 tors. eta vs tors. theta energy: -30.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -805.701591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.701591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.701591 (E_RNA) where: Base-Base interactions energy: -405.881 where: short stacking energy: -231.229 Base-Backbone interact. energy: -1.616 local terms energy: -398.204386 where: bonds (distance) C4'-P energy: -119.558 bonds (distance) P-C4' energy: -124.455 flat angles C4'-P-C4' energy: -110.448 flat angles P-C4'-P energy: -43.886 tors. eta vs tors. theta energy: 0.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -2611.456622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.456622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.456622 (E_RNA) where: Base-Base interactions energy: -1797.187 where: short stacking energy: -786.248 Base-Backbone interact. energy: 0.384 local terms energy: -814.653439 where: bonds (distance) C4'-P energy: -144.618 bonds (distance) P-C4' energy: -147.512 flat angles C4'-P-C4' energy: -165.215 flat angles P-C4'-P energy: -117.535 tors. eta vs tors. theta energy: -239.773 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: 2 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2420.040263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.040263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.040263 (E_RNA) where: Base-Base interactions energy: -1660.975 where: short stacking energy: -713.610 Base-Backbone interact. energy: -0.593 local terms energy: -758.472473 where: bonds (distance) C4'-P energy: -154.402 bonds (distance) P-C4' energy: -129.585 flat angles C4'-P-C4' energy: -158.796 flat angles P-C4'-P energy: -109.140 tors. eta vs tors. theta energy: -206.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2327.082457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.082457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.082457 (E_RNA) where: Base-Base interactions energy: -1607.560 where: short stacking energy: -674.582 Base-Backbone interact. energy: 2.164 local terms energy: -721.686898 where: bonds (distance) C4'-P energy: -117.864 bonds (distance) P-C4' energy: -150.224 flat angles C4'-P-C4' energy: -160.050 flat angles P-C4'-P energy: -117.966 tors. eta vs tors. theta energy: -175.583 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: 4, replica: 8 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2249.775737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.775737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.775737 (E_RNA) where: Base-Base interactions energy: -1560.177 where: short stacking energy: -660.519 Base-Backbone interact. energy: 1.800 local terms energy: -691.398793 where: bonds (distance) C4'-P energy: -129.044 bonds (distance) P-C4' energy: -120.729 flat angles C4'-P-C4' energy: -162.635 flat angles P-C4'-P energy: -97.060 tors. eta vs tors. theta energy: -181.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2165.060413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.060413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.060413 (E_RNA) where: Base-Base interactions energy: -1472.338 where: short stacking energy: -621.479 Base-Backbone interact. energy: -2.969 local terms energy: -689.753040 where: bonds (distance) C4'-P energy: -140.588 bonds (distance) P-C4' energy: -128.720 flat angles C4'-P-C4' energy: -148.905 flat angles P-C4'-P energy: -97.782 tors. eta vs tors. theta energy: -173.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1910.901695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.901695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.901695 (E_RNA) where: Base-Base interactions energy: -1276.988 where: short stacking energy: -537.146 Base-Backbone interact. energy: -1.292 local terms energy: -632.622296 where: bonds (distance) C4'-P energy: -125.756 bonds (distance) P-C4' energy: -135.527 flat angles C4'-P-C4' energy: -155.156 flat angles P-C4'-P energy: -87.755 tors. eta vs tors. theta energy: -128.429 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: 279 Temperature: 1.200000 Total energy: -1555.650448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.650448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.650448 (E_RNA) where: Base-Base interactions energy: -998.046 where: short stacking energy: -469.785 Base-Backbone interact. energy: 0.522 local terms energy: -558.127168 where: bonds (distance) C4'-P energy: -128.856 bonds (distance) P-C4' energy: -144.331 flat angles C4'-P-C4' energy: -110.304 flat angles P-C4'-P energy: -70.875 tors. eta vs tors. theta energy: -103.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1279.228975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.228975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.228975 (E_RNA) where: Base-Base interactions energy: -763.096 where: short stacking energy: -378.272 Base-Backbone interact. energy: -1.935 local terms energy: -514.198606 where: bonds (distance) C4'-P energy: -129.097 bonds (distance) P-C4' energy: -124.136 flat angles C4'-P-C4' energy: -125.638 flat angles P-C4'-P energy: -84.945 tors. eta vs tors. theta energy: -50.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1105.979113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.979113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.979113 (E_RNA) where: Base-Base interactions energy: -656.220 where: short stacking energy: -291.081 Base-Backbone interact. energy: 1.409 local terms energy: -451.168512 where: bonds (distance) C4'-P energy: -103.448 bonds (distance) P-C4' energy: -130.990 flat angles C4'-P-C4' energy: -108.386 flat angles P-C4'-P energy: -85.328 tors. eta vs tors. theta energy: -23.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -905.037557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.037557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.037557 (E_RNA) where: Base-Base interactions energy: -489.219 where: short stacking energy: -251.176 Base-Backbone interact. energy: 0.396 local terms energy: -416.214645 where: bonds (distance) C4'-P energy: -109.802 bonds (distance) P-C4' energy: -117.866 flat angles C4'-P-C4' energy: -107.310 flat angles P-C4'-P energy: -73.206 tors. eta vs tors. theta energy: -8.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -2624.679303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.679303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.679303 (E_RNA) where: Base-Base interactions energy: -1801.880 where: short stacking energy: -787.676 Base-Backbone interact. energy: -2.135 local terms energy: -820.665180 where: bonds (distance) C4'-P energy: -150.879 bonds (distance) P-C4' energy: -145.116 flat angles C4'-P-C4' energy: -169.857 flat angles P-C4'-P energy: -119.243 tors. eta vs tors. theta energy: -235.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2480.577298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.577298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.577298 (E_RNA) where: Base-Base interactions energy: -1688.823 where: short stacking energy: -720.186 Base-Backbone interact. energy: -0.664 local terms energy: -791.089921 where: bonds (distance) C4'-P energy: -127.916 bonds (distance) P-C4' energy: -164.041 flat angles C4'-P-C4' energy: -174.693 flat angles P-C4'-P energy: -119.337 tors. eta vs tors. theta energy: -205.103 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: 4 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2300.863905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.863905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.863905 (E_RNA) where: Base-Base interactions energy: -1601.624 where: short stacking energy: -658.502 Base-Backbone interact. energy: -0.237 local terms energy: -699.002655 where: bonds (distance) C4'-P energy: -142.905 bonds (distance) P-C4' energy: -135.316 flat angles C4'-P-C4' energy: -162.022 flat angles P-C4'-P energy: -94.257 tors. eta vs tors. theta energy: -164.503 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: 8 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2256.544968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.544968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.544968 (E_RNA) where: Base-Base interactions energy: -1541.836 where: short stacking energy: -646.918 Base-Backbone interact. energy: -3.481 local terms energy: -711.228231 where: bonds (distance) C4'-P energy: -142.919 bonds (distance) P-C4' energy: -135.549 flat angles C4'-P-C4' energy: -156.174 flat angles P-C4'-P energy: -86.637 tors. eta vs tors. theta energy: -189.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2141.926450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.926450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.926450 (E_RNA) where: Base-Base interactions energy: -1445.943 where: short stacking energy: -598.326 Base-Backbone interact. energy: 0.661 local terms energy: -696.644626 where: bonds (distance) C4'-P energy: -125.699 bonds (distance) P-C4' energy: -142.404 flat angles C4'-P-C4' energy: -148.105 flat angles P-C4'-P energy: -97.489 tors. eta vs tors. theta energy: -182.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1872.535074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.535074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.535074 (E_RNA) where: Base-Base interactions energy: -1258.066 where: short stacking energy: -521.829 Base-Backbone interact. energy: 0.205 local terms energy: -614.673835 where: bonds (distance) C4'-P energy: -124.702 bonds (distance) P-C4' energy: -130.618 flat angles C4'-P-C4' energy: -144.210 flat angles P-C4'-P energy: -94.523 tors. eta vs tors. theta energy: -120.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1486.037571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.037571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.037571 (E_RNA) where: Base-Base interactions energy: -932.455 where: short stacking energy: -438.115 Base-Backbone interact. energy: 1.291 local terms energy: -554.873721 where: bonds (distance) C4'-P energy: -133.895 bonds (distance) P-C4' energy: -135.391 flat angles C4'-P-C4' energy: -125.528 flat angles P-C4'-P energy: -65.407 tors. eta vs tors. theta energy: -94.653 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: 5 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1312.393018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.393018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.393018 (E_RNA) where: Base-Base interactions energy: -819.760 where: short stacking energy: -370.611 Base-Backbone interact. energy: 7.017 local terms energy: -499.650134 where: bonds (distance) C4'-P energy: -126.896 bonds (distance) P-C4' energy: -119.653 flat angles C4'-P-C4' energy: -123.424 flat angles P-C4'-P energy: -73.633 tors. eta vs tors. theta energy: -56.044 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: 280 Temperature: 1.300000 Total energy: -1153.022367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.022367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.022367 (E_RNA) where: Base-Base interactions energy: -685.325 where: short stacking energy: -333.843 Base-Backbone interact. energy: 2.644 local terms energy: -470.340555 where: bonds (distance) C4'-P energy: -116.330 bonds (distance) P-C4' energy: -135.644 flat angles C4'-P-C4' energy: -113.546 flat angles P-C4'-P energy: -46.574 tors. eta vs tors. theta energy: -58.247 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: 1 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -874.642350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.642350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.642350 (E_RNA) where: Base-Base interactions energy: -440.287 where: short stacking energy: -245.658 Base-Backbone interact. energy: -0.205 local terms energy: -434.150805 where: bonds (distance) C4'-P energy: -119.097 bonds (distance) P-C4' energy: -127.670 flat angles C4'-P-C4' energy: -103.280 flat angles P-C4'-P energy: -84.264 tors. eta vs tors. theta energy: 0.161 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: 1, replica: 3 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -2594.582680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.582680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.582680 (E_RNA) where: Base-Base interactions energy: -1748.355 where: short stacking energy: -777.226 Base-Backbone interact. energy: -2.475 local terms energy: -843.752462 where: bonds (distance) C4'-P energy: -149.989 bonds (distance) P-C4' energy: -154.034 flat angles C4'-P-C4' energy: -171.948 flat angles P-C4'-P energy: -127.462 tors. eta vs tors. theta energy: -240.320 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: 2, replica: 2 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2489.089392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.089392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.089392 (E_RNA) where: Base-Base interactions energy: -1740.420 where: short stacking energy: -735.481 Base-Backbone interact. energy: -2.995 local terms energy: -745.674377 where: bonds (distance) C4'-P energy: -141.184 bonds (distance) P-C4' energy: -141.098 flat angles C4'-P-C4' energy: -157.457 flat angles P-C4'-P energy: -92.038 tors. eta vs tors. theta energy: -213.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2341.948056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.948056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.948056 (E_RNA) where: Base-Base interactions energy: -1610.822 where: short stacking energy: -678.751 Base-Backbone interact. energy: -1.846 local terms energy: -729.279930 where: bonds (distance) C4'-P energy: -148.135 bonds (distance) P-C4' energy: -141.159 flat angles C4'-P-C4' energy: -171.892 flat angles P-C4'-P energy: -98.588 tors. eta vs tors. theta energy: -169.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2197.033016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.033016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.033016 (E_RNA) where: Base-Base interactions energy: -1480.273 where: short stacking energy: -594.659 Base-Backbone interact. energy: -1.209 local terms energy: -715.551003 where: bonds (distance) C4'-P energy: -148.453 bonds (distance) P-C4' energy: -158.254 flat angles C4'-P-C4' energy: -158.579 flat angles P-C4'-P energy: -81.291 tors. eta vs tors. theta energy: -168.973 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: 8 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2174.169550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.169550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.169550 (E_RNA) where: Base-Base interactions energy: -1530.999 where: short stacking energy: -633.778 Base-Backbone interact. energy: 3.785 local terms energy: -646.954618 where: bonds (distance) C4'-P energy: -110.970 bonds (distance) P-C4' energy: -131.650 flat angles C4'-P-C4' energy: -134.356 flat angles P-C4'-P energy: -94.675 tors. eta vs tors. theta energy: -175.303 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: 6 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1872.877013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.877013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.877013 (E_RNA) where: Base-Base interactions energy: -1257.698 where: short stacking energy: -554.211 Base-Backbone interact. energy: -2.087 local terms energy: -613.091980 where: bonds (distance) C4'-P energy: -125.505 bonds (distance) P-C4' energy: -129.936 flat angles C4'-P-C4' energy: -126.674 flat angles P-C4'-P energy: -93.414 tors. eta vs tors. theta energy: -137.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1465.668796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.668796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.668796 (E_RNA) where: Base-Base interactions energy: -916.783 where: short stacking energy: -422.092 Base-Backbone interact. energy: -0.554 local terms energy: -548.331959 where: bonds (distance) C4'-P energy: -124.967 bonds (distance) P-C4' energy: -132.081 flat angles C4'-P-C4' energy: -122.039 flat angles P-C4'-P energy: -86.104 tors. eta vs tors. theta energy: -83.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1334.853518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.853518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.853518 (E_RNA) where: Base-Base interactions energy: -792.552 where: short stacking energy: -410.480 Base-Backbone interact. energy: -2.896 local terms energy: -539.405141 where: bonds (distance) C4'-P energy: -126.009 bonds (distance) P-C4' energy: -125.384 flat angles C4'-P-C4' energy: -135.116 flat angles P-C4'-P energy: -75.802 tors. eta vs tors. theta energy: -77.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1145.793087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.793087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.793087 (E_RNA) where: Base-Base interactions energy: -676.966 where: short stacking energy: -333.954 Base-Backbone interact. energy: -1.334 local terms energy: -467.492942 where: bonds (distance) C4'-P energy: -123.992 bonds (distance) P-C4' energy: -130.579 flat angles C4'-P-C4' energy: -109.113 flat angles P-C4'-P energy: -68.570 tors. eta vs tors. theta energy: -35.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -893.028839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.028839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.028839 (E_RNA) where: Base-Base interactions energy: -480.229 where: short stacking energy: -232.977 Base-Backbone interact. energy: 3.256 local terms energy: -416.056494 where: bonds (distance) C4'-P energy: -92.660 bonds (distance) P-C4' energy: -123.775 flat angles C4'-P-C4' energy: -114.669 flat angles P-C4'-P energy: -76.293 tors. eta vs tors. theta energy: -8.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -2585.127857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.127857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.127857 (E_RNA) where: Base-Base interactions energy: -1759.102 where: short stacking energy: -748.068 Base-Backbone interact. energy: -1.110 local terms energy: -824.916391 where: bonds (distance) C4'-P energy: -150.352 bonds (distance) P-C4' energy: -142.950 flat angles C4'-P-C4' energy: -176.176 flat angles P-C4'-P energy: -128.659 tors. eta vs tors. theta energy: -226.780 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: 2 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2490.118193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.118193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.118193 (E_RNA) where: Base-Base interactions energy: -1705.646 where: short stacking energy: -719.790 Base-Backbone interact. energy: -1.948 local terms energy: -782.523986 where: bonds (distance) C4'-P energy: -132.993 bonds (distance) P-C4' energy: -162.362 flat angles C4'-P-C4' energy: -159.491 flat angles P-C4'-P energy: -113.969 tors. eta vs tors. theta energy: -213.709 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: 4 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2336.796869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.796869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.796869 (E_RNA) where: Base-Base interactions energy: -1601.428 where: short stacking energy: -651.706 Base-Backbone interact. energy: -0.948 local terms energy: -734.420083 where: bonds (distance) C4'-P energy: -137.430 bonds (distance) P-C4' energy: -145.487 flat angles C4'-P-C4' energy: -161.883 flat angles P-C4'-P energy: -114.251 tors. eta vs tors. theta energy: -175.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2189.825129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.825129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.825129 (E_RNA) where: Base-Base interactions energy: -1491.238 where: short stacking energy: -625.023 Base-Backbone interact. energy: -2.388 local terms energy: -696.198608 where: bonds (distance) C4'-P energy: -134.659 bonds (distance) P-C4' energy: -122.713 flat angles C4'-P-C4' energy: -168.140 flat angles P-C4'-P energy: -103.234 tors. eta vs tors. theta energy: -167.452 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: 8 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2102.180831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.180831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.180831 (E_RNA) where: Base-Base interactions energy: -1442.490 where: short stacking energy: -588.750 Base-Backbone interact. energy: 0.670 local terms energy: -660.361209 where: bonds (distance) C4'-P energy: -141.996 bonds (distance) P-C4' energy: -139.818 flat angles C4'-P-C4' energy: -144.809 flat angles P-C4'-P energy: -97.357 tors. eta vs tors. theta energy: -136.380 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: 6 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1866.221713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.221713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.221713 (E_RNA) where: Base-Base interactions energy: -1231.491 where: short stacking energy: -517.560 Base-Backbone interact. energy: -4.276 local terms energy: -630.454800 where: bonds (distance) C4'-P energy: -128.259 bonds (distance) P-C4' energy: -133.585 flat angles C4'-P-C4' energy: -145.754 flat angles P-C4'-P energy: -92.614 tors. eta vs tors. theta energy: -130.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1484.898000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.898000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.898000 (E_RNA) where: Base-Base interactions energy: -933.488 where: short stacking energy: -457.225 Base-Backbone interact. energy: 7.651 local terms energy: -559.060845 where: bonds (distance) C4'-P energy: -123.327 bonds (distance) P-C4' energy: -140.376 flat angles C4'-P-C4' energy: -118.281 flat angles P-C4'-P energy: -77.964 tors. eta vs tors. theta energy: -99.114 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: 5 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1353.487135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.487135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.487135 (E_RNA) where: Base-Base interactions energy: -832.685 where: short stacking energy: -384.184 Base-Backbone interact. energy: 0.716 local terms energy: -521.517671 where: bonds (distance) C4'-P energy: -122.046 bonds (distance) P-C4' energy: -123.674 flat angles C4'-P-C4' energy: -124.994 flat angles P-C4'-P energy: -70.129 tors. eta vs tors. theta energy: -80.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1022.193749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.193749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.193749 (E_RNA) where: Base-Base interactions energy: -594.990 where: short stacking energy: -298.140 Base-Backbone interact. energy: -1.681 local terms energy: -425.522755 where: bonds (distance) C4'-P energy: -105.654 bonds (distance) P-C4' energy: -148.088 flat angles C4'-P-C4' energy: -104.240 flat angles P-C4'-P energy: -41.689 tors. eta vs tors. theta energy: -25.852 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: 1 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -875.472530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.472530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.472530 (E_RNA) where: Base-Base interactions energy: -450.195 where: short stacking energy: -242.738 Base-Backbone interact. energy: 0.623 local terms energy: -425.900062 where: bonds (distance) C4'-P energy: -107.444 bonds (distance) P-C4' energy: -124.498 flat angles C4'-P-C4' energy: -107.870 flat angles P-C4'-P energy: -70.146 tors. eta vs tors. theta energy: -15.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2570.979615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.979615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.979615 (E_RNA) where: Base-Base interactions energy: -1755.729 where: short stacking energy: -776.792 Base-Backbone interact. energy: -0.226 local terms energy: -815.024604 where: bonds (distance) C4'-P energy: -133.269 bonds (distance) P-C4' energy: -143.632 flat angles C4'-P-C4' energy: -185.553 flat angles P-C4'-P energy: -117.364 tors. eta vs tors. theta energy: -235.207 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: 2 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2478.128966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.128966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.128966 (E_RNA) where: Base-Base interactions energy: -1703.117 where: short stacking energy: -728.865 Base-Backbone interact. energy: -1.387 local terms energy: -773.625210 where: bonds (distance) C4'-P energy: -139.282 bonds (distance) P-C4' energy: -153.667 flat angles C4'-P-C4' energy: -163.700 flat angles P-C4'-P energy: -111.956 tors. eta vs tors. theta energy: -205.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2298.529194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.529194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.529194 (E_RNA) where: Base-Base interactions energy: -1578.914 where: short stacking energy: -657.867 Base-Backbone interact. energy: -1.335 local terms energy: -718.279908 where: bonds (distance) C4'-P energy: -154.088 bonds (distance) P-C4' energy: -153.642 flat angles C4'-P-C4' energy: -156.417 flat angles P-C4'-P energy: -84.104 tors. eta vs tors. theta energy: -170.028 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: 4, replica: 7 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2240.092646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.092646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.092646 (E_RNA) where: Base-Base interactions energy: -1530.031 where: short stacking energy: -640.247 Base-Backbone interact. energy: -2.006 local terms energy: -708.055734 where: bonds (distance) C4'-P energy: -134.652 bonds (distance) P-C4' energy: -145.303 flat angles C4'-P-C4' energy: -154.546 flat angles P-C4'-P energy: -96.045 tors. eta vs tors. theta energy: -177.509 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: 5, replica: 8 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2097.935528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.935528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.935528 (E_RNA) where: Base-Base interactions energy: -1437.514 where: short stacking energy: -583.648 Base-Backbone interact. energy: -4.655 local terms energy: -655.766261 where: bonds (distance) C4'-P energy: -127.253 bonds (distance) P-C4' energy: -142.122 flat angles C4'-P-C4' energy: -149.908 flat angles P-C4'-P energy: -93.549 tors. eta vs tors. theta energy: -142.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1880.582947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.582947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.582947 (E_RNA) where: Base-Base interactions energy: -1264.552 where: short stacking energy: -578.842 Base-Backbone interact. energy: 2.264 local terms energy: -618.294989 where: bonds (distance) C4'-P energy: -116.015 bonds (distance) P-C4' energy: -121.420 flat angles C4'-P-C4' energy: -149.763 flat angles P-C4'-P energy: -82.299 tors. eta vs tors. theta energy: -148.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1515.903593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.903593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.903593 (E_RNA) where: Base-Base interactions energy: -967.462 where: short stacking energy: -476.635 Base-Backbone interact. energy: 4.585 local terms energy: -553.026426 where: bonds (distance) C4'-P energy: -123.997 bonds (distance) P-C4' energy: -117.239 flat angles C4'-P-C4' energy: -129.401 flat angles P-C4'-P energy: -78.176 tors. eta vs tors. theta energy: -104.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1303.049553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.049553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.049553 (E_RNA) where: Base-Base interactions energy: -795.706 where: short stacking energy: -379.583 Base-Backbone interact. energy: -0.061 local terms energy: -507.283075 where: bonds (distance) C4'-P energy: -123.715 bonds (distance) P-C4' energy: -126.859 flat angles C4'-P-C4' energy: -127.253 flat angles P-C4'-P energy: -75.283 tors. eta vs tors. theta energy: -54.173 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: 283 Temperature: 1.300000 Total energy: -1075.376367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.376367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.376367 (E_RNA) where: Base-Base interactions energy: -633.553 where: short stacking energy: -327.589 Base-Backbone interact. energy: -0.972 local terms energy: -440.851150 where: bonds (distance) C4'-P energy: -128.211 bonds (distance) P-C4' energy: -107.991 flat angles C4'-P-C4' energy: -102.055 flat angles P-C4'-P energy: -66.336 tors. eta vs tors. theta energy: -36.257 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: 10, replica: 1 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -815.233765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.233765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.233765 (E_RNA) where: Base-Base interactions energy: -399.704 where: short stacking energy: -228.395 Base-Backbone interact. energy: 1.986 local terms energy: -417.515547 where: bonds (distance) C4'-P energy: -107.073 bonds (distance) P-C4' energy: -120.450 flat angles C4'-P-C4' energy: -114.531 flat angles P-C4'-P energy: -66.607 tors. eta vs tors. theta energy: -8.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2641.705486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.705486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.705486 (E_RNA) where: Base-Base interactions energy: -1826.710 where: short stacking energy: -780.489 Base-Backbone interact. energy: -2.864 local terms energy: -812.131093 where: bonds (distance) C4'-P energy: -144.315 bonds (distance) P-C4' energy: -148.968 flat angles C4'-P-C4' energy: -163.837 flat angles P-C4'-P energy: -117.589 tors. eta vs tors. theta energy: -237.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2503.733290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.733290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.733290 (E_RNA) where: Base-Base interactions energy: -1730.019 where: short stacking energy: -723.995 Base-Backbone interact. energy: -2.479 local terms energy: -771.235272 where: bonds (distance) C4'-P energy: -140.125 bonds (distance) P-C4' energy: -143.211 flat angles C4'-P-C4' energy: -165.165 flat angles P-C4'-P energy: -110.387 tors. eta vs tors. theta energy: -212.348 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: 4 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2290.130096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.130096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.130096 (E_RNA) where: Base-Base interactions energy: -1580.452 where: short stacking energy: -668.277 Base-Backbone interact. energy: 0.070 local terms energy: -709.747850 where: bonds (distance) C4'-P energy: -133.611 bonds (distance) P-C4' energy: -142.413 flat angles C4'-P-C4' energy: -153.301 flat angles P-C4'-P energy: -98.238 tors. eta vs tors. theta energy: -182.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2291.072006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.072006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.072006 (E_RNA) where: Base-Base interactions energy: -1556.886 where: short stacking energy: -666.734 Base-Backbone interact. energy: 0.949 local terms energy: -735.134539 where: bonds (distance) C4'-P energy: -121.280 bonds (distance) P-C4' energy: -160.070 flat angles C4'-P-C4' energy: -162.165 flat angles P-C4'-P energy: -95.458 tors. eta vs tors. theta energy: -196.162 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: 8 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -2070.447315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.447315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.447315 (E_RNA) where: Base-Base interactions energy: -1414.677 where: short stacking energy: -608.491 Base-Backbone interact. energy: -0.286 local terms energy: -655.485033 where: bonds (distance) C4'-P energy: -124.544 bonds (distance) P-C4' energy: -147.470 flat angles C4'-P-C4' energy: -149.600 flat angles P-C4'-P energy: -79.141 tors. eta vs tors. theta energy: -154.730 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: 6, replica: 6 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1902.107169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.107169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.107169 (E_RNA) where: Base-Base interactions energy: -1261.684 where: short stacking energy: -541.657 Base-Backbone interact. energy: -6.017 local terms energy: -634.406327 where: bonds (distance) C4'-P energy: -140.790 bonds (distance) P-C4' energy: -136.670 flat angles C4'-P-C4' energy: -140.040 flat angles P-C4'-P energy: -86.539 tors. eta vs tors. theta energy: -130.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1564.741755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.741755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.741755 (E_RNA) where: Base-Base interactions energy: -1016.202 where: short stacking energy: -466.081 Base-Backbone interact. energy: 1.529 local terms energy: -550.068364 where: bonds (distance) C4'-P energy: -107.545 bonds (distance) P-C4' energy: -108.396 flat angles C4'-P-C4' energy: -142.055 flat angles P-C4'-P energy: -80.812 tors. eta vs tors. theta energy: -111.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1313.037481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.037481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.037481 (E_RNA) where: Base-Base interactions energy: -813.413 where: short stacking energy: -384.349 Base-Backbone interact. energy: 0.202 local terms energy: -499.826329 where: bonds (distance) C4'-P energy: -112.700 bonds (distance) P-C4' energy: -123.992 flat angles C4'-P-C4' energy: -111.998 flat angles P-C4'-P energy: -73.709 tors. eta vs tors. theta energy: -77.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1048.172959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.172959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.172959 (E_RNA) where: Base-Base interactions energy: -580.401 where: short stacking energy: -293.993 Base-Backbone interact. energy: -3.084 local terms energy: -464.687726 where: bonds (distance) C4'-P energy: -112.906 bonds (distance) P-C4' energy: -133.942 flat angles C4'-P-C4' energy: -119.043 flat angles P-C4'-P energy: -74.892 tors. eta vs tors. theta energy: -23.905 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: 1 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -813.196420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.196420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.196420 (E_RNA) where: Base-Base interactions energy: -412.831 where: short stacking energy: -232.228 Base-Backbone interact. energy: -1.058 local terms energy: -399.307556 where: bonds (distance) C4'-P energy: -105.773 bonds (distance) P-C4' energy: -117.620 flat angles C4'-P-C4' energy: -121.297 flat angles P-C4'-P energy: -51.043 tors. eta vs tors. theta energy: -3.575 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: 3 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -2602.629072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.629072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.629072 (E_RNA) where: Base-Base interactions energy: -1783.860 where: short stacking energy: -780.893 Base-Backbone interact. energy: -2.609 local terms energy: -816.875547 where: bonds (distance) C4'-P energy: -139.971 bonds (distance) P-C4' energy: -151.775 flat angles C4'-P-C4' energy: -175.712 flat angles P-C4'-P energy: -117.069 tors. eta vs tors. theta energy: -232.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.715 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2518.684964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.684964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.684964 (E_RNA) where: Base-Base interactions energy: -1751.288 where: short stacking energy: -732.415 Base-Backbone interact. energy: -3.292 local terms energy: -764.104653 where: bonds (distance) C4'-P energy: -109.251 bonds (distance) P-C4' energy: -151.463 flat angles C4'-P-C4' energy: -171.455 flat angles P-C4'-P energy: -112.582 tors. eta vs tors. theta energy: -219.353 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: 285 Temperature: 1.000000 Total energy: -2288.612923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.612923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.612923 (E_RNA) where: Base-Base interactions energy: -1576.552 where: short stacking energy: -627.956 Base-Backbone interact. energy: -0.226 local terms energy: -711.834892 where: bonds (distance) C4'-P energy: -143.472 bonds (distance) P-C4' energy: -134.823 flat angles C4'-P-C4' energy: -170.984 flat angles P-C4'-P energy: -97.619 tors. eta vs tors. theta energy: -164.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2159.123450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.123450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.123450 (E_RNA) where: Base-Base interactions energy: -1467.816 where: short stacking energy: -585.253 Base-Backbone interact. energy: -1.850 local terms energy: -689.457045 where: bonds (distance) C4'-P energy: -136.219 bonds (distance) P-C4' energy: -141.709 flat angles C4'-P-C4' energy: -155.570 flat angles P-C4'-P energy: -99.718 tors. eta vs tors. theta energy: -156.242 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: 5, replica: 7 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2209.194573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.194573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.194573 (E_RNA) where: Base-Base interactions energy: -1538.740 where: short stacking energy: -649.080 Base-Backbone interact. energy: 6.993 local terms energy: -677.448113 where: bonds (distance) C4'-P energy: -124.122 bonds (distance) P-C4' energy: -138.890 flat angles C4'-P-C4' energy: -138.773 flat angles P-C4'-P energy: -99.474 tors. eta vs tors. theta energy: -176.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1876.852848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.852848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.852848 (E_RNA) where: Base-Base interactions energy: -1209.200 where: short stacking energy: -523.411 Base-Backbone interact. energy: 1.843 local terms energy: -669.495827 where: bonds (distance) C4'-P energy: -137.603 bonds (distance) P-C4' energy: -139.510 flat angles C4'-P-C4' energy: -147.313 flat angles P-C4'-P energy: -102.100 tors. eta vs tors. theta energy: -142.969 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: 7, replica: 9 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1551.667830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.667830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.667830 (E_RNA) where: Base-Base interactions energy: -1026.760 where: short stacking energy: -433.053 Base-Backbone interact. energy: -0.960 local terms energy: -523.948166 where: bonds (distance) C4'-P energy: -113.470 bonds (distance) P-C4' energy: -134.321 flat angles C4'-P-C4' energy: -130.214 flat angles P-C4'-P energy: -72.025 tors. eta vs tors. theta energy: -73.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1332.061090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.061090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.061090 (E_RNA) where: Base-Base interactions energy: -812.843 where: short stacking energy: -384.760 Base-Backbone interact. energy: 3.411 local terms energy: -522.628578 where: bonds (distance) C4'-P energy: -130.650 bonds (distance) P-C4' energy: -145.940 flat angles C4'-P-C4' energy: -122.349 flat angles P-C4'-P energy: -58.864 tors. eta vs tors. theta energy: -64.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1047.273839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.273839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.273839 (E_RNA) where: Base-Base interactions energy: -598.995 where: short stacking energy: -299.202 Base-Backbone interact. energy: 3.286 local terms energy: -451.564570 where: bonds (distance) C4'-P energy: -117.023 bonds (distance) P-C4' energy: -108.346 flat angles C4'-P-C4' energy: -119.413 flat angles P-C4'-P energy: -68.150 tors. eta vs tors. theta energy: -38.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -854.366294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.366294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.366294 (E_RNA) where: Base-Base interactions energy: -451.226 where: short stacking energy: -234.357 Base-Backbone interact. energy: -0.339 local terms energy: -402.800488 where: bonds (distance) C4'-P energy: -105.413 bonds (distance) P-C4' energy: -119.533 flat angles C4'-P-C4' energy: -123.421 flat angles P-C4'-P energy: -58.189 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: 3 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -2583.020900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.020900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.020900 (E_RNA) where: Base-Base interactions energy: -1745.392 where: short stacking energy: -759.218 Base-Backbone interact. energy: -3.293 local terms energy: -834.335878 where: bonds (distance) C4'-P energy: -151.564 bonds (distance) P-C4' energy: -151.831 flat angles C4'-P-C4' energy: -173.022 flat angles P-C4'-P energy: -124.614 tors. eta vs tors. theta energy: -233.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2468.453044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.453044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.453044 (E_RNA) where: Base-Base interactions energy: -1696.268 where: short stacking energy: -718.263 Base-Backbone interact. energy: -2.292 local terms energy: -769.893544 where: bonds (distance) C4'-P energy: -151.615 bonds (distance) P-C4' energy: -143.494 flat angles C4'-P-C4' energy: -156.709 flat angles P-C4'-P energy: -109.884 tors. eta vs tors. theta energy: -208.193 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: 4 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2348.726306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.726306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.726306 (E_RNA) where: Base-Base interactions energy: -1627.840 where: short stacking energy: -673.890 Base-Backbone interact. energy: 3.825 local terms energy: -724.711770 where: bonds (distance) C4'-P energy: -125.647 bonds (distance) P-C4' energy: -150.936 flat angles C4'-P-C4' energy: -165.930 flat angles P-C4'-P energy: -100.619 tors. eta vs tors. theta energy: -181.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2182.474212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.474212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.474212 (E_RNA) where: Base-Base interactions energy: -1490.720 where: short stacking energy: -634.490 Base-Backbone interact. energy: 0.823 local terms energy: -692.576808 where: bonds (distance) C4'-P energy: -134.007 bonds (distance) P-C4' energy: -144.735 flat angles C4'-P-C4' energy: -160.685 flat angles P-C4'-P energy: -84.256 tors. eta vs tors. theta energy: -168.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2208.296367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.296367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.296367 (E_RNA) where: Base-Base interactions energy: -1504.218 where: short stacking energy: -664.235 Base-Backbone interact. energy: -7.121 local terms energy: -696.957526 where: bonds (distance) C4'-P energy: -131.412 bonds (distance) P-C4' energy: -133.763 flat angles C4'-P-C4' energy: -151.166 flat angles P-C4'-P energy: -107.959 tors. eta vs tors. theta energy: -172.657 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: 6, replica: 6 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1895.030557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.030557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.030557 (E_RNA) where: Base-Base interactions energy: -1252.546 where: short stacking energy: -561.245 Base-Backbone interact. energy: 0.797 local terms energy: -643.281575 where: bonds (distance) C4'-P energy: -123.029 bonds (distance) P-C4' energy: -140.241 flat angles C4'-P-C4' energy: -146.816 flat angles P-C4'-P energy: -90.494 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: 7, replica: 9 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1558.845122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.845122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.845122 (E_RNA) where: Base-Base interactions energy: -977.704 where: short stacking energy: -458.839 Base-Backbone interact. energy: 5.863 local terms energy: -587.004490 where: bonds (distance) C4'-P energy: -111.825 bonds (distance) P-C4' energy: -138.634 flat angles C4'-P-C4' energy: -136.562 flat angles P-C4'-P energy: -93.732 tors. eta vs tors. theta energy: -106.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1299.399710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.399710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.399710 (E_RNA) where: Base-Base interactions energy: -795.000 where: short stacking energy: -382.561 Base-Backbone interact. energy: -0.688 local terms energy: -503.711091 where: bonds (distance) C4'-P energy: -118.146 bonds (distance) P-C4' energy: -117.332 flat angles C4'-P-C4' energy: -123.468 flat angles P-C4'-P energy: -74.975 tors. eta vs tors. theta energy: -69.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -1095.335552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.335552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.335552 (E_RNA) where: Base-Base interactions energy: -613.027 where: short stacking energy: -291.853 Base-Backbone interact. energy: 6.048 local terms energy: -488.356673 where: bonds (distance) C4'-P energy: -120.050 bonds (distance) P-C4' energy: -137.835 flat angles C4'-P-C4' energy: -115.462 flat angles P-C4'-P energy: -70.301 tors. eta vs tors. theta energy: -44.709 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: 1 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -843.157013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.157013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.157013 (E_RNA) where: Base-Base interactions energy: -464.360 where: short stacking energy: -252.868 Base-Backbone interact. energy: -2.758 local terms energy: -376.039010 where: bonds (distance) C4'-P energy: -114.579 bonds (distance) P-C4' energy: -125.024 flat angles C4'-P-C4' energy: -100.891 flat angles P-C4'-P energy: -43.700 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: 1, replica: 3 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2618.395672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.395672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.395672 (E_RNA) where: Base-Base interactions energy: -1795.039 where: short stacking energy: -782.042 Base-Backbone interact. energy: -1.537 local terms energy: -821.818882 where: bonds (distance) C4'-P energy: -144.296 bonds (distance) P-C4' energy: -148.270 flat angles C4'-P-C4' energy: -172.606 flat angles P-C4'-P energy: -123.892 tors. eta vs tors. theta energy: -232.755 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: 2 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2488.689838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.689838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.689838 (E_RNA) where: Base-Base interactions energy: -1704.630 where: short stacking energy: -727.437 Base-Backbone interact. energy: 2.954 local terms energy: -787.014721 where: bonds (distance) C4'-P energy: -140.524 bonds (distance) P-C4' energy: -149.779 flat angles C4'-P-C4' energy: -171.183 flat angles P-C4'-P energy: -100.112 tors. eta vs tors. theta energy: -225.415 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: 287 Temperature: 1.000000 Total energy: -2324.698400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.698400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.698400 (E_RNA) where: Base-Base interactions energy: -1607.322 where: short stacking energy: -665.664 Base-Backbone interact. energy: 2.893 local terms energy: -720.269311 where: bonds (distance) C4'-P energy: -143.006 bonds (distance) P-C4' energy: -138.043 flat angles C4'-P-C4' energy: -168.557 flat angles P-C4'-P energy: -86.722 tors. eta vs tors. theta energy: -183.942 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: 4, replica: 7 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2179.563003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.563003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.563003 (E_RNA) where: Base-Base interactions energy: -1465.488 where: short stacking energy: -615.490 Base-Backbone interact. energy: 1.447 local terms energy: -715.521843 where: bonds (distance) C4'-P energy: -148.947 bonds (distance) P-C4' energy: -151.335 flat angles C4'-P-C4' energy: -156.202 flat angles P-C4'-P energy: -92.112 tors. eta vs tors. theta energy: -166.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2090.665148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.665148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.665148 (E_RNA) where: Base-Base interactions energy: -1417.178 where: short stacking energy: -609.889 Base-Backbone interact. energy: -0.057 local terms energy: -673.429246 where: bonds (distance) C4'-P energy: -126.706 bonds (distance) P-C4' energy: -158.566 flat angles C4'-P-C4' energy: -152.856 flat angles P-C4'-P energy: -77.473 tors. eta vs tors. theta energy: -157.828 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: 6, replica: 6 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1875.807384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.807384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.807384 (E_RNA) where: Base-Base interactions energy: -1249.571 where: short stacking energy: -537.166 Base-Backbone interact. energy: 1.441 local terms energy: -627.677012 where: bonds (distance) C4'-P energy: -110.810 bonds (distance) P-C4' energy: -128.708 flat angles C4'-P-C4' energy: -151.745 flat angles P-C4'-P energy: -90.916 tors. eta vs tors. theta energy: -145.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1565.548624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.548624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.548624 (E_RNA) where: Base-Base interactions energy: -979.959 where: short stacking energy: -441.099 Base-Backbone interact. energy: 1.246 local terms energy: -586.835804 where: bonds (distance) C4'-P energy: -133.639 bonds (distance) P-C4' energy: -141.117 flat angles C4'-P-C4' energy: -131.205 flat angles P-C4'-P energy: -82.699 tors. eta vs tors. theta energy: -98.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1280.693737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.693737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.693737 (E_RNA) where: Base-Base interactions energy: -801.346 where: short stacking energy: -370.764 Base-Backbone interact. energy: 4.005 local terms energy: -483.352727 where: bonds (distance) C4'-P energy: -124.674 bonds (distance) P-C4' energy: -132.162 flat angles C4'-P-C4' energy: -103.529 flat angles P-C4'-P energy: -81.178 tors. eta vs tors. theta energy: -41.809 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: 287 Temperature: 1.300000 Total energy: -1135.423170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.423170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.423170 (E_RNA) where: Base-Base interactions energy: -627.852 where: short stacking energy: -325.957 Base-Backbone interact. energy: -2.741 local terms energy: -504.829343 where: bonds (distance) C4'-P energy: -126.761 bonds (distance) P-C4' energy: -121.869 flat angles C4'-P-C4' energy: -141.231 flat angles P-C4'-P energy: -71.618 tors. eta vs tors. theta energy: -43.350 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: 1 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -855.134380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.134380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.134380 (E_RNA) where: Base-Base interactions energy: -468.826 where: short stacking energy: -232.734 Base-Backbone interact. energy: -2.853 local terms energy: -383.454882 where: bonds (distance) C4'-P energy: -114.011 bonds (distance) P-C4' energy: -126.550 flat angles C4'-P-C4' energy: -80.631 flat angles P-C4'-P energy: -59.233 tors. eta vs tors. theta energy: -3.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2615.028319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.028319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.028319 (E_RNA) where: Base-Base interactions energy: -1823.027 where: short stacking energy: -794.686 Base-Backbone interact. energy: -1.117 local terms energy: -790.884731 where: bonds (distance) C4'-P energy: -146.115 bonds (distance) P-C4' energy: -148.491 flat angles C4'-P-C4' energy: -170.576 flat angles P-C4'-P energy: -96.701 tors. eta vs tors. theta energy: -229.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2477.393232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.393232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.393232 (E_RNA) where: Base-Base interactions energy: -1698.688 where: short stacking energy: -694.713 Base-Backbone interact. energy: -3.512 local terms energy: -775.193308 where: bonds (distance) C4'-P energy: -138.315 bonds (distance) P-C4' energy: -159.665 flat angles C4'-P-C4' energy: -170.778 flat angles P-C4'-P energy: -105.396 tors. eta vs tors. theta energy: -201.039 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: 4 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2344.463932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.463932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.463932 (E_RNA) where: Base-Base interactions energy: -1622.323 where: short stacking energy: -674.543 Base-Backbone interact. energy: 3.132 local terms energy: -725.272737 where: bonds (distance) C4'-P energy: -130.304 bonds (distance) P-C4' energy: -156.445 flat angles C4'-P-C4' energy: -150.744 flat angles P-C4'-P energy: -114.952 tors. eta vs tors. theta energy: -172.828 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: 7 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2206.315707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.315707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.315707 (E_RNA) where: Base-Base interactions energy: -1519.068 where: short stacking energy: -638.050 Base-Backbone interact. energy: -1.788 local terms energy: -685.459933 where: bonds (distance) C4'-P energy: -123.146 bonds (distance) P-C4' energy: -139.204 flat angles C4'-P-C4' energy: -156.174 flat angles P-C4'-P energy: -99.093 tors. eta vs tors. theta energy: -167.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2097.447998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.447998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.447998 (E_RNA) where: Base-Base interactions energy: -1427.511 where: short stacking energy: -584.527 Base-Backbone interact. energy: 0.655 local terms energy: -670.591963 where: bonds (distance) C4'-P energy: -126.526 bonds (distance) P-C4' energy: -143.095 flat angles C4'-P-C4' energy: -152.746 flat angles P-C4'-P energy: -85.628 tors. eta vs tors. theta energy: -162.596 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: 288 Temperature: 1.150000 Total energy: -1852.595759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.595759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.595759 (E_RNA) where: Base-Base interactions energy: -1227.945 where: short stacking energy: -531.196 Base-Backbone interact. energy: 0.317 local terms energy: -624.967586 where: bonds (distance) C4'-P energy: -116.013 bonds (distance) P-C4' energy: -141.616 flat angles C4'-P-C4' energy: -131.633 flat angles P-C4'-P energy: -86.971 tors. eta vs tors. theta energy: -148.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1547.656955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.656955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.656955 (E_RNA) where: Base-Base interactions energy: -999.560 where: short stacking energy: -434.079 Base-Backbone interact. energy: 4.075 local terms energy: -552.171626 where: bonds (distance) C4'-P energy: -126.374 bonds (distance) P-C4' energy: -123.101 flat angles C4'-P-C4' energy: -130.225 flat angles P-C4'-P energy: -83.391 tors. eta vs tors. theta energy: -89.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1298.064078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.064078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.064078 (E_RNA) where: Base-Base interactions energy: -774.710 where: short stacking energy: -376.961 Base-Backbone interact. energy: -0.878 local terms energy: -522.476608 where: bonds (distance) C4'-P energy: -112.791 bonds (distance) P-C4' energy: -130.987 flat angles C4'-P-C4' energy: -125.222 flat angles P-C4'-P energy: -93.558 tors. eta vs tors. theta energy: -59.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -1074.857892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.857892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.857892 (E_RNA) where: Base-Base interactions energy: -614.379 where: short stacking energy: -299.984 Base-Backbone interact. energy: -2.040 local terms energy: -458.438900 where: bonds (distance) C4'-P energy: -95.978 bonds (distance) P-C4' energy: -138.388 flat angles C4'-P-C4' energy: -117.370 flat angles P-C4'-P energy: -53.112 tors. eta vs tors. theta energy: -53.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -830.680246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.680246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.680246 (E_RNA) where: Base-Base interactions energy: -432.377 where: short stacking energy: -219.067 Base-Backbone interact. energy: -5.193 local terms energy: -393.110681 where: bonds (distance) C4'-P energy: -114.360 bonds (distance) P-C4' energy: -108.533 flat angles C4'-P-C4' energy: -119.865 flat angles P-C4'-P energy: -65.468 tors. eta vs tors. theta energy: 15.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2620.967268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.967268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.967268 (E_RNA) where: Base-Base interactions energy: -1826.486 where: short stacking energy: -749.702 Base-Backbone interact. energy: -3.241 local terms energy: -791.240399 where: bonds (distance) C4'-P energy: -149.390 bonds (distance) P-C4' energy: -144.267 flat angles C4'-P-C4' energy: -160.965 flat angles P-C4'-P energy: -106.499 tors. eta vs tors. theta energy: -230.120 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: 2 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2506.372240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.372240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.372240 (E_RNA) where: Base-Base interactions energy: -1713.951 where: short stacking energy: -747.836 Base-Backbone interact. energy: -0.832 local terms energy: -791.589471 where: bonds (distance) C4'-P energy: -143.476 bonds (distance) P-C4' energy: -143.058 flat angles C4'-P-C4' energy: -176.480 flat angles P-C4'-P energy: -107.330 tors. eta vs tors. theta energy: -221.245 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: 4 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2321.951657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.951657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.951657 (E_RNA) where: Base-Base interactions energy: -1606.775 where: short stacking energy: -665.681 Base-Backbone interact. energy: 0.951 local terms energy: -716.127938 where: bonds (distance) C4'-P energy: -129.174 bonds (distance) P-C4' energy: -151.264 flat angles C4'-P-C4' energy: -153.304 flat angles P-C4'-P energy: -109.162 tors. eta vs tors. theta energy: -173.223 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: 7 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2306.347820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.347820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.347820 (E_RNA) where: Base-Base interactions energy: -1594.364 where: short stacking energy: -661.106 Base-Backbone interact. energy: -0.614 local terms energy: -711.369266 where: bonds (distance) C4'-P energy: -123.856 bonds (distance) P-C4' energy: -147.037 flat angles C4'-P-C4' energy: -153.325 flat angles P-C4'-P energy: -103.394 tors. eta vs tors. theta energy: -183.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -2107.939527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.939527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.939527 (E_RNA) where: Base-Base interactions energy: -1421.473 where: short stacking energy: -624.368 Base-Backbone interact. energy: 2.728 local terms energy: -689.194637 where: bonds (distance) C4'-P energy: -127.602 bonds (distance) P-C4' energy: -139.662 flat angles C4'-P-C4' energy: -147.440 flat angles P-C4'-P energy: -100.005 tors. eta vs tors. theta energy: -174.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1874.858837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.858837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.858837 (E_RNA) where: Base-Base interactions energy: -1228.035 where: short stacking energy: -553.983 Base-Backbone interact. energy: 2.062 local terms energy: -648.886065 where: bonds (distance) C4'-P energy: -119.536 bonds (distance) P-C4' energy: -121.168 flat angles C4'-P-C4' energy: -153.338 flat angles P-C4'-P energy: -92.614 tors. eta vs tors. theta energy: -162.230 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: 9 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1561.726054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.726054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.726054 (E_RNA) where: Base-Base interactions energy: -988.496 where: short stacking energy: -438.619 Base-Backbone interact. energy: -2.767 local terms energy: -570.462806 where: bonds (distance) C4'-P energy: -120.156 bonds (distance) P-C4' energy: -137.862 flat angles C4'-P-C4' energy: -131.582 flat angles P-C4'-P energy: -78.575 tors. eta vs tors. theta energy: -102.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1266.554013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.554013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.554013 (E_RNA) where: Base-Base interactions energy: -754.988 where: short stacking energy: -349.990 Base-Backbone interact. energy: -4.117 local terms energy: -507.449793 where: bonds (distance) C4'-P energy: -118.869 bonds (distance) P-C4' energy: -124.347 flat angles C4'-P-C4' energy: -129.070 flat angles P-C4'-P energy: -68.139 tors. eta vs tors. theta energy: -67.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -1162.848675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.848675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.848675 (E_RNA) where: Base-Base interactions energy: -674.076 where: short stacking energy: -322.478 Base-Backbone interact. energy: -0.134 local terms energy: -488.638400 where: bonds (distance) C4'-P energy: -133.658 bonds (distance) P-C4' energy: -133.486 flat angles C4'-P-C4' energy: -133.066 flat angles P-C4'-P energy: -57.862 tors. eta vs tors. theta energy: -30.566 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: 1 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -800.687014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.687014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.687014 (E_RNA) where: Base-Base interactions energy: -396.040 where: short stacking energy: -216.549 Base-Backbone interact. energy: 2.670 local terms energy: -407.317272 where: bonds (distance) C4'-P energy: -121.941 bonds (distance) P-C4' energy: -139.476 flat angles C4'-P-C4' energy: -100.507 flat angles P-C4'-P energy: -68.991 tors. eta vs tors. theta energy: 23.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2602.781580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.781580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.781580 (E_RNA) where: Base-Base interactions energy: -1807.930 where: short stacking energy: -765.036 Base-Backbone interact. energy: -1.979 local terms energy: -792.872170 where: bonds (distance) C4'-P energy: -147.720 bonds (distance) P-C4' energy: -136.199 flat angles C4'-P-C4' energy: -168.256 flat angles P-C4'-P energy: -112.203 tors. eta vs tors. theta energy: -228.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2498.930537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.930537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.930537 (E_RNA) where: Base-Base interactions energy: -1728.642 where: short stacking energy: -756.277 Base-Backbone interact. energy: -1.175 local terms energy: -769.113877 where: bonds (distance) C4'-P energy: -136.653 bonds (distance) P-C4' energy: -139.537 flat angles C4'-P-C4' energy: -176.285 flat angles P-C4'-P energy: -99.889 tors. eta vs tors. theta energy: -216.749 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: 7 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2375.235918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.235918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.235918 (E_RNA) where: Base-Base interactions energy: -1659.844 where: short stacking energy: -690.708 Base-Backbone interact. energy: -4.439 local terms energy: -710.953403 where: bonds (distance) C4'-P energy: -106.850 bonds (distance) P-C4' energy: -139.951 flat angles C4'-P-C4' energy: -160.109 flat angles P-C4'-P energy: -109.134 tors. eta vs tors. theta energy: -194.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2255.639138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.639138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.639138 (E_RNA) where: Base-Base interactions energy: -1566.623 where: short stacking energy: -642.943 Base-Backbone interact. energy: -2.498 local terms energy: -686.517255 where: bonds (distance) C4'-P energy: -140.583 bonds (distance) P-C4' energy: -126.326 flat angles C4'-P-C4' energy: -150.405 flat angles P-C4'-P energy: -101.265 tors. eta vs tors. theta energy: -167.938 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: 5, replica: 8 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -2050.590004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.590004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.590004 (E_RNA) where: Base-Base interactions energy: -1364.532 where: short stacking energy: -600.483 Base-Backbone interact. energy: -0.866 local terms energy: -685.191666 where: bonds (distance) C4'-P energy: -124.849 bonds (distance) P-C4' energy: -149.482 flat angles C4'-P-C4' energy: -134.643 flat angles P-C4'-P energy: -110.328 tors. eta vs tors. theta energy: -165.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1797.710671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.710671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.710671 (E_RNA) where: Base-Base interactions energy: -1154.698 where: short stacking energy: -517.876 Base-Backbone interact. energy: 0.058 local terms energy: -643.071059 where: bonds (distance) C4'-P energy: -121.281 bonds (distance) P-C4' energy: -142.835 flat angles C4'-P-C4' energy: -151.127 flat angles P-C4'-P energy: -103.159 tors. eta vs tors. theta energy: -124.670 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: 9 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1615.491923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.491923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.491923 (E_RNA) where: Base-Base interactions energy: -1023.279 where: short stacking energy: -475.848 Base-Backbone interact. energy: -2.229 local terms energy: -589.983044 where: bonds (distance) C4'-P energy: -105.396 bonds (distance) P-C4' energy: -129.776 flat angles C4'-P-C4' energy: -141.123 flat angles P-C4'-P energy: -104.436 tors. eta vs tors. theta energy: -109.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1326.167944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.167944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.167944 (E_RNA) where: Base-Base interactions energy: -827.070 where: short stacking energy: -390.834 Base-Backbone interact. energy: -4.013 local terms energy: -495.084337 where: bonds (distance) C4'-P energy: -115.907 bonds (distance) P-C4' energy: -121.905 flat angles C4'-P-C4' energy: -111.585 flat angles P-C4'-P energy: -72.491 tors. eta vs tors. theta energy: -73.196 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: 290 Temperature: 1.300000 Total energy: -1093.990455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.990455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.990455 (E_RNA) where: Base-Base interactions energy: -666.506 where: short stacking energy: -328.351 Base-Backbone interact. energy: 6.632 local terms energy: -434.116868 where: bonds (distance) C4'-P energy: -109.694 bonds (distance) P-C4' energy: -120.028 flat angles C4'-P-C4' energy: -127.284 flat angles P-C4'-P energy: -33.477 tors. eta vs tors. theta energy: -43.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -826.627346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.627346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.627346 (E_RNA) where: Base-Base interactions energy: -385.825 where: short stacking energy: -233.560 Base-Backbone interact. energy: -1.527 local terms energy: -439.275420 where: bonds (distance) C4'-P energy: -119.812 bonds (distance) P-C4' energy: -122.046 flat angles C4'-P-C4' energy: -121.276 flat angles P-C4'-P energy: -69.910 tors. eta vs tors. theta energy: -6.232 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: 1, replica: 3 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2586.141501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.141501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.141501 (E_RNA) where: Base-Base interactions energy: -1775.423 where: short stacking energy: -759.931 Base-Backbone interact. energy: -1.011 local terms energy: -809.707518 where: bonds (distance) C4'-P energy: -135.128 bonds (distance) P-C4' energy: -148.728 flat angles C4'-P-C4' energy: -175.115 flat angles P-C4'-P energy: -115.263 tors. eta vs tors. theta energy: -235.474 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: 2 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2508.755688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.755688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.755688 (E_RNA) where: Base-Base interactions energy: -1738.087 where: short stacking energy: -747.571 Base-Backbone interact. energy: 0.543 local terms energy: -771.211464 where: bonds (distance) C4'-P energy: -137.766 bonds (distance) P-C4' energy: -149.716 flat angles C4'-P-C4' energy: -174.027 flat angles P-C4'-P energy: -97.810 tors. eta vs tors. theta energy: -211.893 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: 7 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2344.534021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.534021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.534021 (E_RNA) where: Base-Base interactions energy: -1595.263 where: short stacking energy: -666.878 Base-Backbone interact. energy: -1.353 local terms energy: -747.917906 where: bonds (distance) C4'-P energy: -150.334 bonds (distance) P-C4' energy: -145.853 flat angles C4'-P-C4' energy: -157.002 flat angles P-C4'-P energy: -102.337 tors. eta vs tors. theta energy: -192.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2273.478026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.478026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.478026 (E_RNA) where: Base-Base interactions energy: -1564.352 where: short stacking energy: -623.203 Base-Backbone interact. energy: -1.964 local terms energy: -707.162729 where: bonds (distance) C4'-P energy: -134.069 bonds (distance) P-C4' energy: -148.970 flat angles C4'-P-C4' energy: -160.721 flat angles P-C4'-P energy: -91.175 tors. eta vs tors. theta energy: -172.228 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: 8 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2068.010468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.010468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.010468 (E_RNA) where: Base-Base interactions energy: -1409.014 where: short stacking energy: -634.124 Base-Backbone interact. energy: 4.085 local terms energy: -663.081674 where: bonds (distance) C4'-P energy: -129.290 bonds (distance) P-C4' energy: -124.774 flat angles C4'-P-C4' energy: -140.594 flat angles P-C4'-P energy: -95.777 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: 291 Temperature: 1.150000 Total energy: -1832.124752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.124752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.124752 (E_RNA) where: Base-Base interactions energy: -1213.706 where: short stacking energy: -535.717 Base-Backbone interact. energy: 0.072 local terms energy: -618.490505 where: bonds (distance) C4'-P energy: -113.938 bonds (distance) P-C4' energy: -140.556 flat angles C4'-P-C4' energy: -130.788 flat angles P-C4'-P energy: -87.895 tors. eta vs tors. theta energy: -145.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1493.037412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.037412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.037412 (E_RNA) where: Base-Base interactions energy: -955.778 where: short stacking energy: -443.790 Base-Backbone interact. energy: -1.279 local terms energy: -535.980707 where: bonds (distance) C4'-P energy: -117.572 bonds (distance) P-C4' energy: -118.743 flat angles C4'-P-C4' energy: -119.223 flat angles P-C4'-P energy: -99.046 tors. eta vs tors. theta energy: -81.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1374.679718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.679718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.679718 (E_RNA) where: Base-Base interactions energy: -870.415 where: short stacking energy: -412.980 Base-Backbone interact. energy: 2.576 local terms energy: -506.840858 where: bonds (distance) C4'-P energy: -128.407 bonds (distance) P-C4' energy: -142.888 flat angles C4'-P-C4' energy: -111.544 flat angles P-C4'-P energy: -51.113 tors. eta vs tors. theta energy: -72.889 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: 291 Temperature: 1.300000 Total energy: -1086.593919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.593919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.593919 (E_RNA) where: Base-Base interactions energy: -618.176 where: short stacking energy: -318.137 Base-Backbone interact. energy: 2.480 local terms energy: -470.955098 where: bonds (distance) C4'-P energy: -100.036 bonds (distance) P-C4' energy: -137.777 flat angles C4'-P-C4' energy: -116.055 flat angles P-C4'-P energy: -73.729 tors. eta vs tors. theta energy: -43.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.058 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -830.468211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.468211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.468211 (E_RNA) where: Base-Base interactions energy: -458.406 where: short stacking energy: -253.895 Base-Backbone interact. energy: 1.070 local terms energy: -373.131857 where: bonds (distance) C4'-P energy: -108.653 bonds (distance) P-C4' energy: -114.883 flat angles C4'-P-C4' energy: -106.610 flat angles P-C4'-P energy: -39.869 tors. eta vs tors. theta energy: -3.117 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: 3 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -2556.469834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.469834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.469834 (E_RNA) where: Base-Base interactions energy: -1753.358 where: short stacking energy: -742.314 Base-Backbone interact. energy: -2.326 local terms energy: -800.786057 where: bonds (distance) C4'-P energy: -138.787 bonds (distance) P-C4' energy: -155.529 flat angles C4'-P-C4' energy: -171.636 flat angles P-C4'-P energy: -108.151 tors. eta vs tors. theta energy: -226.683 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: 2, replica: 2 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2484.937854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.937854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.937854 (E_RNA) where: Base-Base interactions energy: -1688.919 where: short stacking energy: -720.247 Base-Backbone interact. energy: -0.986 local terms energy: -795.033010 where: bonds (distance) C4'-P energy: -144.181 bonds (distance) P-C4' energy: -152.967 flat angles C4'-P-C4' energy: -173.489 flat angles P-C4'-P energy: -109.203 tors. eta vs tors. theta energy: -215.193 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: 292 Temperature: 1.000000 Total energy: -2364.088950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.088950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.088950 (E_RNA) where: Base-Base interactions energy: -1649.993 where: short stacking energy: -681.383 Base-Backbone interact. energy: 0.489 local terms energy: -714.584903 where: bonds (distance) C4'-P energy: -118.695 bonds (distance) P-C4' energy: -153.487 flat angles C4'-P-C4' energy: -163.453 flat angles P-C4'-P energy: -84.957 tors. eta vs tors. theta energy: -193.993 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: 4, replica: 4 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2242.299894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.299894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.299894 (E_RNA) where: Base-Base interactions energy: -1552.146 where: short stacking energy: -604.395 Base-Backbone interact. energy: 0.104 local terms energy: -690.257453 where: bonds (distance) C4'-P energy: -131.512 bonds (distance) P-C4' energy: -138.213 flat angles C4'-P-C4' energy: -160.499 flat angles P-C4'-P energy: -100.123 tors. eta vs tors. theta energy: -159.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2061.890711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.890711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.890711 (E_RNA) where: Base-Base interactions energy: -1411.138 where: short stacking energy: -593.486 Base-Backbone interact. energy: -3.617 local terms energy: -647.135668 where: bonds (distance) C4'-P energy: -120.086 bonds (distance) P-C4' energy: -142.168 flat angles C4'-P-C4' energy: -153.201 flat angles P-C4'-P energy: -91.921 tors. eta vs tors. theta energy: -139.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1852.922312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.922312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.922312 (E_RNA) where: Base-Base interactions energy: -1239.045 where: short stacking energy: -542.886 Base-Backbone interact. energy: 1.250 local terms energy: -615.126980 where: bonds (distance) C4'-P energy: -133.519 bonds (distance) P-C4' energy: -137.168 flat angles C4'-P-C4' energy: -144.481 flat angles P-C4'-P energy: -72.743 tors. eta vs tors. theta energy: -127.215 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: 9 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1557.326176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.326176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.326176 (E_RNA) where: Base-Base interactions energy: -975.578 where: short stacking energy: -480.878 Base-Backbone interact. energy: -2.654 local terms energy: -579.094095 where: bonds (distance) C4'-P energy: -100.820 bonds (distance) P-C4' energy: -134.117 flat angles C4'-P-C4' energy: -129.624 flat angles P-C4'-P energy: -96.733 tors. eta vs tors. theta energy: -117.800 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: 5 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1352.254525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.254525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.254525 (E_RNA) where: Base-Base interactions energy: -818.471 where: short stacking energy: -387.782 Base-Backbone interact. energy: -4.466 local terms energy: -529.317185 where: bonds (distance) C4'-P energy: -127.160 bonds (distance) P-C4' energy: -138.842 flat angles C4'-P-C4' energy: -119.906 flat angles P-C4'-P energy: -71.589 tors. eta vs tors. theta energy: -71.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -1059.737040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.737040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.737040 (E_RNA) where: Base-Base interactions energy: -612.161 where: short stacking energy: -330.525 Base-Backbone interact. energy: 1.061 local terms energy: -448.637201 where: bonds (distance) C4'-P energy: -112.621 bonds (distance) P-C4' energy: -138.215 flat angles C4'-P-C4' energy: -91.145 flat angles P-C4'-P energy: -56.602 tors. eta vs tors. theta energy: -50.055 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: 1 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -862.965458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.965458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.965458 (E_RNA) where: Base-Base interactions energy: -443.915 where: short stacking energy: -243.690 Base-Backbone interact. energy: -1.488 local terms energy: -417.562593 where: bonds (distance) C4'-P energy: -121.571 bonds (distance) P-C4' energy: -117.195 flat angles C4'-P-C4' energy: -110.291 flat angles P-C4'-P energy: -57.088 tors. eta vs tors. theta energy: -11.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2601.046067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.046067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.046067 (E_RNA) where: Base-Base interactions energy: -1786.164 where: short stacking energy: -793.694 Base-Backbone interact. energy: -2.029 local terms energy: -812.852484 where: bonds (distance) C4'-P energy: -145.880 bonds (distance) P-C4' energy: -144.159 flat angles C4'-P-C4' energy: -170.913 flat angles P-C4'-P energy: -123.314 tors. eta vs tors. theta energy: -228.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2461.739221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.739221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.739221 (E_RNA) where: Base-Base interactions energy: -1697.518 where: short stacking energy: -722.154 Base-Backbone interact. energy: -0.836 local terms energy: -763.385142 where: bonds (distance) C4'-P energy: -140.754 bonds (distance) P-C4' energy: -148.356 flat angles C4'-P-C4' energy: -174.646 flat angles P-C4'-P energy: -89.679 tors. eta vs tors. theta energy: -209.950 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: 7 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2396.770562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.770562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.770562 (E_RNA) where: Base-Base interactions energy: -1657.880 where: short stacking energy: -701.033 Base-Backbone interact. energy: -5.835 local terms energy: -733.055476 where: bonds (distance) C4'-P energy: -137.893 bonds (distance) P-C4' energy: -149.695 flat angles C4'-P-C4' energy: -146.487 flat angles P-C4'-P energy: -105.470 tors. eta vs tors. theta energy: -193.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2261.388293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.388293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.388293 (E_RNA) where: Base-Base interactions energy: -1572.025 where: short stacking energy: -643.071 Base-Backbone interact. energy: -2.428 local terms energy: -686.935466 where: bonds (distance) C4'-P energy: -141.664 bonds (distance) P-C4' energy: -132.427 flat angles C4'-P-C4' energy: -147.631 flat angles P-C4'-P energy: -92.735 tors. eta vs tors. theta energy: -172.478 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: 8 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2102.687375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.687375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.687375 (E_RNA) where: Base-Base interactions energy: -1424.259 where: short stacking energy: -607.208 Base-Backbone interact. energy: 0.413 local terms energy: -678.840586 where: bonds (distance) C4'-P energy: -136.628 bonds (distance) P-C4' energy: -135.679 flat angles C4'-P-C4' energy: -152.845 flat angles P-C4'-P energy: -88.714 tors. eta vs tors. theta energy: -164.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1881.080314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.080314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.080314 (E_RNA) where: Base-Base interactions energy: -1219.728 where: short stacking energy: -542.458 Base-Backbone interact. energy: -0.201 local terms energy: -661.151602 where: bonds (distance) C4'-P energy: -127.909 bonds (distance) P-C4' energy: -142.161 flat angles C4'-P-C4' energy: -158.864 flat angles P-C4'-P energy: -92.416 tors. eta vs tors. theta energy: -139.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1466.267673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.267673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.267673 (E_RNA) where: Base-Base interactions energy: -911.533 where: short stacking energy: -437.735 Base-Backbone interact. energy: 0.333 local terms energy: -555.097710 where: bonds (distance) C4'-P energy: -130.983 bonds (distance) P-C4' energy: -131.561 flat angles C4'-P-C4' energy: -135.011 flat angles P-C4'-P energy: -80.780 tors. eta vs tors. theta energy: -76.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.030 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1332.911694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.911694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.911694 (E_RNA) where: Base-Base interactions energy: -834.358 where: short stacking energy: -398.959 Base-Backbone interact. energy: 2.601 local terms energy: -501.154241 where: bonds (distance) C4'-P energy: -120.323 bonds (distance) P-C4' energy: -117.100 flat angles C4'-P-C4' energy: -123.658 flat angles P-C4'-P energy: -63.321 tors. eta vs tors. theta energy: -76.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -1063.749254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.749254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.749254 (E_RNA) where: Base-Base interactions energy: -586.322 where: short stacking energy: -296.813 Base-Backbone interact. energy: -1.781 local terms energy: -475.645971 where: bonds (distance) C4'-P energy: -107.313 bonds (distance) P-C4' energy: -131.401 flat angles C4'-P-C4' energy: -127.525 flat angles P-C4'-P energy: -64.746 tors. eta vs tors. theta energy: -44.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -823.041300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.041300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.041300 (E_RNA) where: Base-Base interactions energy: -399.495 where: short stacking energy: -241.718 Base-Backbone interact. energy: -1.916 local terms energy: -421.629890 where: bonds (distance) C4'-P energy: -95.734 bonds (distance) P-C4' energy: -124.656 flat angles C4'-P-C4' energy: -109.759 flat angles P-C4'-P energy: -83.242 tors. eta vs tors. theta energy: -8.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -2599.387582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.387582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.387582 (E_RNA) where: Base-Base interactions energy: -1791.615 where: short stacking energy: -781.228 Base-Backbone interact. energy: -2.372 local terms energy: -805.400449 where: bonds (distance) C4'-P energy: -144.702 bonds (distance) P-C4' energy: -152.098 flat angles C4'-P-C4' energy: -174.039 flat angles P-C4'-P energy: -115.738 tors. eta vs tors. theta energy: -218.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2467.500997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.500997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.500997 (E_RNA) where: Base-Base interactions energy: -1705.380 where: short stacking energy: -736.467 Base-Backbone interact. energy: -0.619 local terms energy: -761.502345 where: bonds (distance) C4'-P energy: -130.231 bonds (distance) P-C4' energy: -136.082 flat angles C4'-P-C4' energy: -169.065 flat angles P-C4'-P energy: -119.782 tors. eta vs tors. theta energy: -206.342 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: 7 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2351.667318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.667318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.667318 (E_RNA) where: Base-Base interactions energy: -1629.460 where: short stacking energy: -678.382 Base-Backbone interact. energy: -0.752 local terms energy: -721.455009 where: bonds (distance) C4'-P energy: -127.394 bonds (distance) P-C4' energy: -149.992 flat angles C4'-P-C4' energy: -166.703 flat angles P-C4'-P energy: -91.455 tors. eta vs tors. theta energy: -185.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2238.682781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.682781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.682781 (E_RNA) where: Base-Base interactions energy: -1560.200 where: short stacking energy: -613.424 Base-Backbone interact. energy: 0.238 local terms energy: -678.721057 where: bonds (distance) C4'-P energy: -132.660 bonds (distance) P-C4' energy: -137.402 flat angles C4'-P-C4' energy: -153.886 flat angles P-C4'-P energy: -94.985 tors. eta vs tors. theta energy: -159.788 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: 8 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2123.804866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.804866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.804866 (E_RNA) where: Base-Base interactions energy: -1455.684 where: short stacking energy: -619.159 Base-Backbone interact. energy: -1.425 local terms energy: -666.696448 where: bonds (distance) C4'-P energy: -125.599 bonds (distance) P-C4' energy: -140.484 flat angles C4'-P-C4' energy: -146.435 flat angles P-C4'-P energy: -105.372 tors. eta vs tors. theta energy: -148.807 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: 6 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1909.436690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.436690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.436690 (E_RNA) where: Base-Base interactions energy: -1281.866 where: short stacking energy: -565.263 Base-Backbone interact. energy: -1.997 local terms energy: -625.573791 where: bonds (distance) C4'-P energy: -123.697 bonds (distance) P-C4' energy: -132.049 flat angles C4'-P-C4' energy: -143.318 flat angles P-C4'-P energy: -82.509 tors. eta vs tors. theta energy: -144.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1585.899270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.899270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.899270 (E_RNA) where: Base-Base interactions energy: -1006.102 where: short stacking energy: -447.843 Base-Backbone interact. energy: -1.593 local terms energy: -578.203609 where: bonds (distance) C4'-P energy: -141.924 bonds (distance) P-C4' energy: -100.458 flat angles C4'-P-C4' energy: -151.876 flat angles P-C4'-P energy: -75.641 tors. eta vs tors. theta energy: -108.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1410.015285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.015285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.015285 (E_RNA) where: Base-Base interactions energy: -879.421 where: short stacking energy: -421.988 Base-Backbone interact. energy: -0.618 local terms energy: -529.976089 where: bonds (distance) C4'-P energy: -124.208 bonds (distance) P-C4' energy: -112.331 flat angles C4'-P-C4' energy: -132.075 flat angles P-C4'-P energy: -77.745 tors. eta vs tors. theta energy: -83.618 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: 10 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -1058.004603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.004603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.004603 (E_RNA) where: Base-Base interactions energy: -589.851 where: short stacking energy: -302.946 Base-Backbone interact. energy: 3.512 local terms energy: -471.665742 where: bonds (distance) C4'-P energy: -119.540 bonds (distance) P-C4' energy: -146.125 flat angles C4'-P-C4' energy: -106.011 flat angles P-C4'-P energy: -59.379 tors. eta vs tors. theta energy: -40.611 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: 10, replica: 1 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -848.644235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.644235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.644235 (E_RNA) where: Base-Base interactions energy: -419.661 where: short stacking energy: -221.623 Base-Backbone interact. energy: -2.658 local terms energy: -426.324490 where: bonds (distance) C4'-P energy: -107.353 bonds (distance) P-C4' energy: -117.782 flat angles C4'-P-C4' energy: -111.377 flat angles P-C4'-P energy: -76.954 tors. eta vs tors. theta energy: -12.859 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: 3 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2612.603281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.603281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.603281 (E_RNA) where: Base-Base interactions energy: -1802.188 where: short stacking energy: -782.325 Base-Backbone interact. energy: -0.637 local terms energy: -809.778800 where: bonds (distance) C4'-P energy: -156.687 bonds (distance) P-C4' energy: -145.182 flat angles C4'-P-C4' energy: -176.797 flat angles P-C4'-P energy: -109.294 tors. eta vs tors. theta energy: -221.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2496.673906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.673906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.673906 (E_RNA) where: Base-Base interactions energy: -1710.931 where: short stacking energy: -733.504 Base-Backbone interact. energy: -2.750 local terms energy: -782.993382 where: bonds (distance) C4'-P energy: -140.948 bonds (distance) P-C4' energy: -168.233 flat angles C4'-P-C4' energy: -157.111 flat angles P-C4'-P energy: -103.961 tors. eta vs tors. theta energy: -212.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2400.913291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.913291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.913291 (E_RNA) where: Base-Base interactions energy: -1663.135 where: short stacking energy: -707.886 Base-Backbone interact. energy: -0.762 local terms energy: -737.016108 where: bonds (distance) C4'-P energy: -137.277 bonds (distance) P-C4' energy: -147.486 flat angles C4'-P-C4' energy: -154.729 flat angles P-C4'-P energy: -102.479 tors. eta vs tors. theta energy: -195.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2246.942281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.942281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.942281 (E_RNA) where: Base-Base interactions energy: -1548.643 where: short stacking energy: -630.716 Base-Backbone interact. energy: -0.671 local terms energy: -697.628163 where: bonds (distance) C4'-P energy: -128.490 bonds (distance) P-C4' energy: -125.863 flat angles C4'-P-C4' energy: -166.145 flat angles P-C4'-P energy: -104.599 tors. eta vs tors. theta energy: -172.531 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: 5, replica: 8 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2050.335368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.335368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.335368 (E_RNA) where: Base-Base interactions energy: -1381.484 where: short stacking energy: -573.243 Base-Backbone interact. energy: -1.265 local terms energy: -667.587050 where: bonds (distance) C4'-P energy: -126.489 bonds (distance) P-C4' energy: -159.963 flat angles C4'-P-C4' energy: -146.037 flat angles P-C4'-P energy: -92.244 tors. eta vs tors. theta energy: -142.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1844.669102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.669102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.669102 (E_RNA) where: Base-Base interactions energy: -1235.570 where: short stacking energy: -538.560 Base-Backbone interact. energy: -2.732 local terms energy: -606.367376 where: bonds (distance) C4'-P energy: -125.235 bonds (distance) P-C4' energy: -135.464 flat angles C4'-P-C4' energy: -140.936 flat angles P-C4'-P energy: -70.403 tors. eta vs tors. theta energy: -134.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1574.770699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.770699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.770699 (E_RNA) where: Base-Base interactions energy: -1015.048 where: short stacking energy: -437.878 Base-Backbone interact. energy: -2.033 local terms energy: -557.689351 where: bonds (distance) C4'-P energy: -120.469 bonds (distance) P-C4' energy: -131.145 flat angles C4'-P-C4' energy: -129.181 flat angles P-C4'-P energy: -85.357 tors. eta vs tors. theta energy: -91.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1404.508004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.508004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.508004 (E_RNA) where: Base-Base interactions energy: -897.799 where: short stacking energy: -446.092 Base-Backbone interact. energy: 2.107 local terms energy: -508.816192 where: bonds (distance) C4'-P energy: -99.027 bonds (distance) P-C4' energy: -134.323 flat angles C4'-P-C4' energy: -115.861 flat angles P-C4'-P energy: -67.718 tors. eta vs tors. theta energy: -91.886 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: 10 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1063.755370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.755370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.755370 (E_RNA) where: Base-Base interactions energy: -568.916 where: short stacking energy: -321.076 Base-Backbone interact. energy: 0.081 local terms energy: -494.920604 where: bonds (distance) C4'-P energy: -138.476 bonds (distance) P-C4' energy: -145.361 flat angles C4'-P-C4' energy: -110.405 flat angles P-C4'-P energy: -61.570 tors. eta vs tors. theta energy: -39.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -828.723645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.723645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.723645 (E_RNA) where: Base-Base interactions energy: -417.544 where: short stacking energy: -232.621 Base-Backbone interact. energy: -0.275 local terms energy: -410.905043 where: bonds (distance) C4'-P energy: -104.161 bonds (distance) P-C4' energy: -134.934 flat angles C4'-P-C4' energy: -124.266 flat angles P-C4'-P energy: -48.835 tors. eta vs tors. theta energy: 1.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -2602.593627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.593627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.593627 (E_RNA) where: Base-Base interactions energy: -1779.004 where: short stacking energy: -767.927 Base-Backbone interact. energy: -1.717 local terms energy: -822.427019 where: bonds (distance) C4'-P energy: -151.174 bonds (distance) P-C4' energy: -158.292 flat angles C4'-P-C4' energy: -183.896 flat angles P-C4'-P energy: -102.086 tors. eta vs tors. theta energy: -226.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.555 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2503.441709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.441709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.441709 (E_RNA) where: Base-Base interactions energy: -1722.663 where: short stacking energy: -744.536 Base-Backbone interact. energy: -1.822 local terms energy: -778.957190 where: bonds (distance) C4'-P energy: -142.343 bonds (distance) P-C4' energy: -138.801 flat angles C4'-P-C4' energy: -178.549 flat angles P-C4'-P energy: -106.993 tors. eta vs tors. theta energy: -212.271 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: 296 Temperature: 1.000000 Total energy: -2381.789955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.789955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.789955 (E_RNA) where: Base-Base interactions energy: -1643.811 where: short stacking energy: -693.057 Base-Backbone interact. energy: 1.514 local terms energy: -739.493524 where: bonds (distance) C4'-P energy: -140.780 bonds (distance) P-C4' energy: -137.115 flat angles C4'-P-C4' energy: -165.347 flat angles P-C4'-P energy: -106.787 tors. eta vs tors. theta energy: -189.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2193.396756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.396756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.396756 (E_RNA) where: Base-Base interactions energy: -1503.252 where: short stacking energy: -619.025 Base-Backbone interact. energy: 0.420 local terms energy: -690.564880 where: bonds (distance) C4'-P energy: -124.259 bonds (distance) P-C4' energy: -148.602 flat angles C4'-P-C4' energy: -149.472 flat angles P-C4'-P energy: -100.604 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: 5, replica: 8 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2053.184169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.184169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.184169 (E_RNA) where: Base-Base interactions energy: -1410.266 where: short stacking energy: -611.118 Base-Backbone interact. energy: -0.706 local terms energy: -642.211919 where: bonds (distance) C4'-P energy: -118.412 bonds (distance) P-C4' energy: -144.600 flat angles C4'-P-C4' energy: -136.422 flat angles P-C4'-P energy: -92.174 tors. eta vs tors. theta energy: -150.604 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: 6 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1860.863936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.863936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.863936 (E_RNA) where: Base-Base interactions energy: -1228.834 where: short stacking energy: -531.328 Base-Backbone interact. energy: -3.157 local terms energy: -628.872925 where: bonds (distance) C4'-P energy: -135.445 bonds (distance) P-C4' energy: -130.160 flat angles C4'-P-C4' energy: -138.213 flat angles P-C4'-P energy: -83.635 tors. eta vs tors. theta energy: -141.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1467.920636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.920636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.920636 (E_RNA) where: Base-Base interactions energy: -914.202 where: short stacking energy: -430.424 Base-Backbone interact. energy: -1.449 local terms energy: -552.269754 where: bonds (distance) C4'-P energy: -112.210 bonds (distance) P-C4' energy: -133.934 flat angles C4'-P-C4' energy: -148.011 flat angles P-C4'-P energy: -66.585 tors. eta vs tors. theta energy: -91.530 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: 9 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1525.072728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.072728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.072728 (E_RNA) where: Base-Base interactions energy: -942.588 where: short stacking energy: -430.992 Base-Backbone interact. energy: 0.795 local terms energy: -583.279825 where: bonds (distance) C4'-P energy: -134.498 bonds (distance) P-C4' energy: -122.480 flat angles C4'-P-C4' energy: -152.357 flat angles P-C4'-P energy: -82.146 tors. eta vs tors. theta energy: -91.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -1069.398781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.398781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.398781 (E_RNA) where: Base-Base interactions energy: -605.365 where: short stacking energy: -292.590 Base-Backbone interact. energy: -0.238 local terms energy: -463.796002 where: bonds (distance) C4'-P energy: -124.991 bonds (distance) P-C4' energy: -115.909 flat angles C4'-P-C4' energy: -124.990 flat angles P-C4'-P energy: -74.943 tors. eta vs tors. theta energy: -22.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -828.122722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.122722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.122722 (E_RNA) where: Base-Base interactions energy: -416.709 where: short stacking energy: -217.410 Base-Backbone interact. energy: 8.758 local terms energy: -420.172377 where: bonds (distance) C4'-P energy: -127.127 bonds (distance) P-C4' energy: -126.502 flat angles C4'-P-C4' energy: -110.074 flat angles P-C4'-P energy: -60.117 tors. eta vs tors. theta energy: 3.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2594.196991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.196991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.196991 (E_RNA) where: Base-Base interactions energy: -1791.089 where: short stacking energy: -775.271 Base-Backbone interact. energy: -1.452 local terms energy: -801.656160 where: bonds (distance) C4'-P energy: -138.949 bonds (distance) P-C4' energy: -148.912 flat angles C4'-P-C4' energy: -175.665 flat angles P-C4'-P energy: -118.837 tors. eta vs tors. theta energy: -219.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2498.805452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.805452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.805452 (E_RNA) where: Base-Base interactions energy: -1717.233 where: short stacking energy: -726.966 Base-Backbone interact. energy: -3.666 local terms energy: -777.906447 where: bonds (distance) C4'-P energy: -151.344 bonds (distance) P-C4' energy: -140.473 flat angles C4'-P-C4' energy: -166.808 flat angles P-C4'-P energy: -99.965 tors. eta vs tors. theta energy: -219.315 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: 297 Temperature: 1.000000 Total energy: -2378.421533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.421533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.421533 (E_RNA) where: Base-Base interactions energy: -1665.568 where: short stacking energy: -673.184 Base-Backbone interact. energy: -4.344 local terms energy: -708.509728 where: bonds (distance) C4'-P energy: -121.745 bonds (distance) P-C4' energy: -154.375 flat angles C4'-P-C4' energy: -158.640 flat angles P-C4'-P energy: -100.373 tors. eta vs tors. theta energy: -173.376 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: 4 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2204.725020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.725020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.725020 (E_RNA) where: Base-Base interactions energy: -1516.346 where: short stacking energy: -611.024 Base-Backbone interact. energy: -0.798 local terms energy: -687.581188 where: bonds (distance) C4'-P energy: -134.240 bonds (distance) P-C4' energy: -119.957 flat angles C4'-P-C4' energy: -161.732 flat angles P-C4'-P energy: -112.042 tors. eta vs tors. theta energy: -159.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -2020.771889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.771889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.771889 (E_RNA) where: Base-Base interactions energy: -1374.946 where: short stacking energy: -580.638 Base-Backbone interact. energy: -0.269 local terms energy: -645.556795 where: bonds (distance) C4'-P energy: -124.521 bonds (distance) P-C4' energy: -143.399 flat angles C4'-P-C4' energy: -159.628 flat angles P-C4'-P energy: -81.553 tors. eta vs tors. theta energy: -136.456 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: 6 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1888.392497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.392497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.392497 (E_RNA) where: Base-Base interactions energy: -1257.591 where: short stacking energy: -555.712 Base-Backbone interact. energy: 0.596 local terms energy: -631.397471 where: bonds (distance) C4'-P energy: -123.006 bonds (distance) P-C4' energy: -118.898 flat angles C4'-P-C4' energy: -150.049 flat angles P-C4'-P energy: -87.079 tors. eta vs tors. theta energy: -152.366 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: 5 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1484.171163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.171163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.171163 (E_RNA) where: Base-Base interactions energy: -917.794 where: short stacking energy: -447.505 Base-Backbone interact. energy: -1.801 local terms energy: -564.575671 where: bonds (distance) C4'-P energy: -126.349 bonds (distance) P-C4' energy: -126.027 flat angles C4'-P-C4' energy: -135.987 flat angles P-C4'-P energy: -79.137 tors. eta vs tors. theta energy: -97.076 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: 9 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1553.720728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.720728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.720728 (E_RNA) where: Base-Base interactions energy: -1044.515 where: short stacking energy: -464.442 Base-Backbone interact. energy: -3.828 local terms energy: -505.377649 where: bonds (distance) C4'-P energy: -110.672 bonds (distance) P-C4' energy: -121.224 flat angles C4'-P-C4' energy: -113.585 flat angles P-C4'-P energy: -72.120 tors. eta vs tors. theta energy: -87.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -1054.412249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.412249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.412249 (E_RNA) where: Base-Base interactions energy: -595.265 where: short stacking energy: -301.589 Base-Backbone interact. energy: 0.040 local terms energy: -459.187067 where: bonds (distance) C4'-P energy: -105.940 bonds (distance) P-C4' energy: -108.934 flat angles C4'-P-C4' energy: -122.942 flat angles P-C4'-P energy: -82.078 tors. eta vs tors. theta energy: -39.293 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: 1 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -853.151007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.151007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.151007 (E_RNA) where: Base-Base interactions energy: -442.304 where: short stacking energy: -246.490 Base-Backbone interact. energy: -0.179 local terms energy: -410.668079 where: bonds (distance) C4'-P energy: -110.711 bonds (distance) P-C4' energy: -121.361 flat angles C4'-P-C4' energy: -98.649 flat angles P-C4'-P energy: -75.148 tors. eta vs tors. theta energy: -4.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2597.509823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.509823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.509823 (E_RNA) where: Base-Base interactions energy: -1791.564 where: short stacking energy: -764.014 Base-Backbone interact. energy: -1.942 local terms energy: -804.003528 where: bonds (distance) C4'-P energy: -151.040 bonds (distance) P-C4' energy: -138.751 flat angles C4'-P-C4' energy: -179.677 flat angles P-C4'-P energy: -111.920 tors. eta vs tors. theta energy: -222.616 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: 2 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2474.043937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.043937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.043937 (E_RNA) where: Base-Base interactions energy: -1674.560 where: short stacking energy: -710.712 Base-Backbone interact. energy: 0.567 local terms energy: -800.051133 where: bonds (distance) C4'-P energy: -141.594 bonds (distance) P-C4' energy: -160.385 flat angles C4'-P-C4' energy: -167.348 flat angles P-C4'-P energy: -112.541 tors. eta vs tors. theta energy: -218.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2408.682830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.682830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.682830 (E_RNA) where: Base-Base interactions energy: -1664.263 where: short stacking energy: -693.659 Base-Backbone interact. energy: -1.111 local terms energy: -743.308625 where: bonds (distance) C4'-P energy: -144.757 bonds (distance) P-C4' energy: -147.612 flat angles C4'-P-C4' energy: -153.326 flat angles P-C4'-P energy: -99.042 tors. eta vs tors. theta energy: -198.572 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: 4 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2220.953283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.953283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.953283 (E_RNA) where: Base-Base interactions energy: -1536.806 where: short stacking energy: -649.471 Base-Backbone interact. energy: 0.656 local terms energy: -684.803126 where: bonds (distance) C4'-P energy: -133.755 bonds (distance) P-C4' energy: -147.194 flat angles C4'-P-C4' energy: -140.898 flat angles P-C4'-P energy: -96.759 tors. eta vs tors. theta energy: -166.197 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: 8 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2028.025193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.025193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.025193 (E_RNA) where: Base-Base interactions energy: -1369.350 where: short stacking energy: -599.234 Base-Backbone interact. energy: -0.700 local terms energy: -657.975193 where: bonds (distance) C4'-P energy: -133.399 bonds (distance) P-C4' energy: -132.699 flat angles C4'-P-C4' energy: -132.071 flat angles P-C4'-P energy: -106.964 tors. eta vs tors. theta energy: -152.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1851.015515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.015515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.015515 (E_RNA) where: Base-Base interactions energy: -1229.481 where: short stacking energy: -538.466 Base-Backbone interact. energy: -3.678 local terms energy: -617.856369 where: bonds (distance) C4'-P energy: -123.217 bonds (distance) P-C4' energy: -135.221 flat angles C4'-P-C4' energy: -133.737 flat angles P-C4'-P energy: -89.602 tors. eta vs tors. theta energy: -136.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1664.739104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.739104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.739104 (E_RNA) where: Base-Base interactions energy: -1084.015 where: short stacking energy: -493.682 Base-Backbone interact. energy: -0.036 local terms energy: -580.687531 where: bonds (distance) C4'-P energy: -122.330 bonds (distance) P-C4' energy: -123.682 flat angles C4'-P-C4' energy: -121.874 flat angles P-C4'-P energy: -92.813 tors. eta vs tors. theta energy: -119.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1344.897049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.897049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.897049 (E_RNA) where: Base-Base interactions energy: -829.330 where: short stacking energy: -378.703 Base-Backbone interact. energy: -0.611 local terms energy: -514.956214 where: bonds (distance) C4'-P energy: -125.687 bonds (distance) P-C4' energy: -132.160 flat angles C4'-P-C4' energy: -106.946 flat angles P-C4'-P energy: -93.937 tors. eta vs tors. theta energy: -56.226 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: 9, replica: 10 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -1011.975749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.975749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.975749 (E_RNA) where: Base-Base interactions energy: -563.444 where: short stacking energy: -260.044 Base-Backbone interact. energy: 0.961 local terms energy: -449.492928 where: bonds (distance) C4'-P energy: -121.195 bonds (distance) P-C4' energy: -144.334 flat angles C4'-P-C4' energy: -104.926 flat angles P-C4'-P energy: -75.762 tors. eta vs tors. theta energy: -3.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -845.652257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.652257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.652257 (E_RNA) where: Base-Base interactions energy: -400.365 where: short stacking energy: -229.537 Base-Backbone interact. energy: 0.178 local terms energy: -445.465599 where: bonds (distance) C4'-P energy: -103.879 bonds (distance) P-C4' energy: -139.387 flat angles C4'-P-C4' energy: -132.212 flat angles P-C4'-P energy: -56.012 tors. eta vs tors. theta energy: -13.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -2588.160554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.160554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.160554 (E_RNA) where: Base-Base interactions energy: -1771.021 where: short stacking energy: -759.510 Base-Backbone interact. energy: -1.410 local terms energy: -815.729622 where: bonds (distance) C4'-P energy: -145.896 bonds (distance) P-C4' energy: -153.913 flat angles C4'-P-C4' energy: -179.439 flat angles P-C4'-P energy: -103.637 tors. eta vs tors. theta energy: -232.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2470.225212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.225212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.225212 (E_RNA) where: Base-Base interactions energy: -1710.651 where: short stacking energy: -747.055 Base-Backbone interact. energy: -1.849 local terms energy: -757.724433 where: bonds (distance) C4'-P energy: -148.527 bonds (distance) P-C4' energy: -131.199 flat angles C4'-P-C4' energy: -159.720 flat angles P-C4'-P energy: -102.211 tors. eta vs tors. theta energy: -216.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2370.706642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.706642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.706642 (E_RNA) where: Base-Base interactions energy: -1634.226 where: short stacking energy: -691.771 Base-Backbone interact. energy: -2.438 local terms energy: -734.043336 where: bonds (distance) C4'-P energy: -137.232 bonds (distance) P-C4' energy: -141.078 flat angles C4'-P-C4' energy: -164.457 flat angles P-C4'-P energy: -103.118 tors. eta vs tors. theta energy: -188.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2238.729249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.729249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.729249 (E_RNA) where: Base-Base interactions energy: -1577.708 where: short stacking energy: -642.964 Base-Backbone interact. energy: -2.445 local terms energy: -658.576298 where: bonds (distance) C4'-P energy: -135.060 bonds (distance) P-C4' energy: -138.154 flat angles C4'-P-C4' energy: -152.050 flat angles P-C4'-P energy: -71.188 tors. eta vs tors. theta energy: -162.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2039.470071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.470071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.470071 (E_RNA) where: Base-Base interactions energy: -1379.888 where: short stacking energy: -591.129 Base-Backbone interact. energy: -2.288 local terms energy: -657.293783 where: bonds (distance) C4'-P energy: -125.449 bonds (distance) P-C4' energy: -140.773 flat angles C4'-P-C4' energy: -146.721 flat angles P-C4'-P energy: -103.204 tors. eta vs tors. theta energy: -141.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1886.518047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.518047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.518047 (E_RNA) where: Base-Base interactions energy: -1269.893 where: short stacking energy: -567.112 Base-Backbone interact. energy: -1.719 local terms energy: -614.905944 where: bonds (distance) C4'-P energy: -135.996 bonds (distance) P-C4' energy: -115.980 flat angles C4'-P-C4' energy: -146.324 flat angles P-C4'-P energy: -85.031 tors. eta vs tors. theta energy: -131.576 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: 299 Temperature: 1.200000 Total energy: -1544.146274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.146274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.146274 (E_RNA) where: Base-Base interactions energy: -958.179 where: short stacking energy: -432.576 Base-Backbone interact. energy: -2.238 local terms energy: -583.728549 where: bonds (distance) C4'-P energy: -125.432 bonds (distance) P-C4' energy: -139.509 flat angles C4'-P-C4' energy: -133.508 flat angles P-C4'-P energy: -85.515 tors. eta vs tors. theta energy: -99.765 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: 5 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1295.276721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.276721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.276721 (E_RNA) where: Base-Base interactions energy: -758.348 where: short stacking energy: -354.225 Base-Backbone interact. energy: -2.442 local terms energy: -534.487176 where: bonds (distance) C4'-P energy: -134.301 bonds (distance) P-C4' energy: -137.633 flat angles C4'-P-C4' energy: -129.756 flat angles P-C4'-P energy: -77.643 tors. eta vs tors. theta energy: -55.154 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: 299 Temperature: 1.300000 Total energy: -989.789098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.789098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.789098 (E_RNA) where: Base-Base interactions energy: -556.349 where: short stacking energy: -297.879 Base-Backbone interact. energy: 0.488 local terms energy: -433.927949 where: bonds (distance) C4'-P energy: -106.161 bonds (distance) P-C4' energy: -117.911 flat angles C4'-P-C4' energy: -103.544 flat angles P-C4'-P energy: -67.063 tors. eta vs tors. theta energy: -39.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -811.046813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.046813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.046813 (E_RNA) where: Base-Base interactions energy: -394.284 where: short stacking energy: -210.639 Base-Backbone interact. energy: 3.646 local terms energy: -420.408327 where: bonds (distance) C4'-P energy: -109.580 bonds (distance) P-C4' energy: -126.988 flat angles C4'-P-C4' energy: -106.673 flat angles P-C4'-P energy: -69.693 tors. eta vs tors. theta energy: -7.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2580.249155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.249155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.249155 (E_RNA) where: Base-Base interactions energy: -1754.893 where: short stacking energy: -762.504 Base-Backbone interact. energy: -1.244 local terms energy: -824.112382 where: bonds (distance) C4'-P energy: -152.965 bonds (distance) P-C4' energy: -155.862 flat angles C4'-P-C4' energy: -175.096 flat angles P-C4'-P energy: -115.584 tors. eta vs tors. theta energy: -224.604 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: 2 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2475.284057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.284057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.284057 (E_RNA) where: Base-Base interactions energy: -1694.654 where: short stacking energy: -725.355 Base-Backbone interact. energy: -2.963 local terms energy: -777.667065 where: bonds (distance) C4'-P energy: -134.746 bonds (distance) P-C4' energy: -145.837 flat angles C4'-P-C4' energy: -163.861 flat angles P-C4'-P energy: -113.019 tors. eta vs tors. theta energy: -220.204 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: 7 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2393.748911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.748911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.748911 (E_RNA) where: Base-Base interactions energy: -1652.205 where: short stacking energy: -705.722 Base-Backbone interact. energy: 1.880 local terms energy: -743.423507 where: bonds (distance) C4'-P energy: -137.952 bonds (distance) P-C4' energy: -141.040 flat angles C4'-P-C4' energy: -157.794 flat angles P-C4'-P energy: -113.357 tors. eta vs tors. theta energy: -193.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2216.460014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.460014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.460014 (E_RNA) where: Base-Base interactions energy: -1536.924 where: short stacking energy: -627.528 Base-Backbone interact. energy: -3.117 local terms energy: -676.418459 where: bonds (distance) C4'-P energy: -134.112 bonds (distance) P-C4' energy: -142.918 flat angles C4'-P-C4' energy: -146.898 flat angles P-C4'-P energy: -92.152 tors. eta vs tors. theta energy: -160.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -2018.566529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.566529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.566529 (E_RNA) where: Base-Base interactions energy: -1382.962 where: short stacking energy: -594.468 Base-Backbone interact. energy: 1.182 local terms energy: -636.786471 where: bonds (distance) C4'-P energy: -124.502 bonds (distance) P-C4' energy: -132.284 flat angles C4'-P-C4' energy: -147.330 flat angles P-C4'-P energy: -90.119 tors. eta vs tors. theta energy: -142.551 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: 6 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1795.499596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.499596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.499596 (E_RNA) where: Base-Base interactions energy: -1189.184 where: short stacking energy: -511.177 Base-Backbone interact. energy: 0.673 local terms energy: -606.988728 where: bonds (distance) C4'-P energy: -124.846 bonds (distance) P-C4' energy: -130.949 flat angles C4'-P-C4' energy: -146.131 flat angles P-C4'-P energy: -73.094 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: 9 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1557.779700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.779700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.779700 (E_RNA) where: Base-Base interactions energy: -997.550 where: short stacking energy: -472.144 Base-Backbone interact. energy: -1.261 local terms energy: -558.969355 where: bonds (distance) C4'-P energy: -124.268 bonds (distance) P-C4' energy: -125.156 flat angles C4'-P-C4' energy: -131.675 flat angles P-C4'-P energy: -67.743 tors. eta vs tors. theta energy: -110.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1265.875140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.875140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.875140 (E_RNA) where: Base-Base interactions energy: -774.314 where: short stacking energy: -362.345 Base-Backbone interact. energy: -0.438 local terms energy: -491.123209 where: bonds (distance) C4'-P energy: -136.782 bonds (distance) P-C4' energy: -112.138 flat angles C4'-P-C4' energy: -111.376 flat angles P-C4'-P energy: -75.104 tors. eta vs tors. theta energy: -55.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -969.576878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.576878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.576878 (E_RNA) where: Base-Base interactions energy: -534.736 where: short stacking energy: -275.168 Base-Backbone interact. energy: -1.044 local terms energy: -433.796868 where: bonds (distance) C4'-P energy: -126.782 bonds (distance) P-C4' energy: -131.624 flat angles C4'-P-C4' energy: -109.046 flat angles P-C4'-P energy: -50.301 tors. eta vs tors. theta energy: -16.044 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: 1 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -872.260414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.260414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.260414 (E_RNA) where: Base-Base interactions energy: -481.791 where: short stacking energy: -257.837 Base-Backbone interact. energy: -3.266 local terms energy: -387.202979 where: bonds (distance) C4'-P energy: -99.797 bonds (distance) P-C4' energy: -105.983 flat angles C4'-P-C4' energy: -94.561 flat angles P-C4'-P energy: -75.021 tors. eta vs tors. theta energy: -11.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2598.702177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.702177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.702177 (E_RNA) where: Base-Base interactions energy: -1780.368 where: short stacking energy: -770.582 Base-Backbone interact. energy: -3.855 local terms energy: -814.479534 where: bonds (distance) C4'-P energy: -155.503 bonds (distance) P-C4' energy: -141.979 flat angles C4'-P-C4' energy: -169.782 flat angles P-C4'-P energy: -122.041 tors. eta vs tors. theta energy: -225.175 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: 2, replica: 2 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2474.788796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.788796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.788796 (E_RNA) where: Base-Base interactions energy: -1721.151 where: short stacking energy: -740.956 Base-Backbone interact. energy: 1.806 local terms energy: -755.444295 where: bonds (distance) C4'-P energy: -126.775 bonds (distance) P-C4' energy: -149.224 flat angles C4'-P-C4' energy: -159.498 flat angles P-C4'-P energy: -103.298 tors. eta vs tors. theta energy: -216.649 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: 3, replica: 7 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2346.208184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.208184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.208184 (E_RNA) where: Base-Base interactions energy: -1598.033 where: short stacking energy: -683.241 Base-Backbone interact. energy: 2.886 local terms energy: -751.061668 where: bonds (distance) C4'-P energy: -142.361 bonds (distance) P-C4' energy: -151.418 flat angles C4'-P-C4' energy: -173.253 flat angles P-C4'-P energy: -103.002 tors. eta vs tors. theta energy: -181.029 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: 4, replica: 4 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2248.511141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.511141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.511141 (E_RNA) where: Base-Base interactions energy: -1548.079 where: short stacking energy: -626.174 Base-Backbone interact. energy: -1.276 local terms energy: -699.155457 where: bonds (distance) C4'-P energy: -119.113 bonds (distance) P-C4' energy: -156.271 flat angles C4'-P-C4' energy: -159.857 flat angles P-C4'-P energy: -93.219 tors. eta vs tors. theta energy: -170.696 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: 8 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -2056.017509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.017509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.017509 (E_RNA) where: Base-Base interactions energy: -1374.732 where: short stacking energy: -587.222 Base-Backbone interact. energy: -1.722 local terms energy: -679.563949 where: bonds (distance) C4'-P energy: -124.989 bonds (distance) P-C4' energy: -137.265 flat angles C4'-P-C4' energy: -157.744 flat angles P-C4'-P energy: -95.785 tors. eta vs tors. theta energy: -163.782 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: 6 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1897.930266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.930266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.930266 (E_RNA) where: Base-Base interactions energy: -1275.804 where: short stacking energy: -555.584 Base-Backbone interact. energy: -4.084 local terms energy: -618.042281 where: bonds (distance) C4'-P energy: -118.060 bonds (distance) P-C4' energy: -123.069 flat angles C4'-P-C4' energy: -140.445 flat angles P-C4'-P energy: -85.070 tors. eta vs tors. theta energy: -151.398 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: 9 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1634.812602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.812602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.812602 (E_RNA) where: Base-Base interactions energy: -1041.455 where: short stacking energy: -499.723 Base-Backbone interact. energy: -2.522 local terms energy: -590.835422 where: bonds (distance) C4'-P energy: -134.056 bonds (distance) P-C4' energy: -130.853 flat angles C4'-P-C4' energy: -131.972 flat angles P-C4'-P energy: -68.344 tors. eta vs tors. theta energy: -125.610 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: 8, replica: 5 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1297.184272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.184272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.184272 (E_RNA) where: Base-Base interactions energy: -796.440 where: short stacking energy: -356.181 Base-Backbone interact. energy: -1.630 local terms energy: -499.114347 where: bonds (distance) C4'-P energy: -131.942 bonds (distance) P-C4' energy: -126.007 flat angles C4'-P-C4' energy: -118.042 flat angles P-C4'-P energy: -68.234 tors. eta vs tors. theta energy: -54.890 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: 301 Temperature: 1.300000 Total energy: -1011.632581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.632581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.632581 (E_RNA) where: Base-Base interactions energy: -555.080 where: short stacking energy: -300.590 Base-Backbone interact. energy: -0.339 local terms energy: -456.213162 where: bonds (distance) C4'-P energy: -114.832 bonds (distance) P-C4' energy: -112.724 flat angles C4'-P-C4' energy: -116.694 flat angles P-C4'-P energy: -71.698 tors. eta vs tors. theta energy: -40.265 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: 1 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -920.865387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.865387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.865387 (E_RNA) where: Base-Base interactions energy: -489.417 where: short stacking energy: -247.234 Base-Backbone interact. energy: -1.803 local terms energy: -429.645786 where: bonds (distance) C4'-P energy: -120.140 bonds (distance) P-C4' energy: -122.360 flat angles C4'-P-C4' energy: -109.115 flat angles P-C4'-P energy: -65.941 tors. eta vs tors. theta energy: -12.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -2602.433463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.433463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.433463 (E_RNA) where: Base-Base interactions energy: -1780.127 where: short stacking energy: -778.761 Base-Backbone interact. energy: -2.309 local terms energy: -819.997469 where: bonds (distance) C4'-P energy: -160.245 bonds (distance) P-C4' energy: -153.678 flat angles C4'-P-C4' energy: -157.979 flat angles P-C4'-P energy: -109.831 tors. eta vs tors. theta energy: -238.265 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: 2 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2489.973486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.973486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.973486 (E_RNA) where: Base-Base interactions energy: -1704.308 where: short stacking energy: -734.383 Base-Backbone interact. energy: -2.175 local terms energy: -783.490616 where: bonds (distance) C4'-P energy: -143.430 bonds (distance) P-C4' energy: -128.449 flat angles C4'-P-C4' energy: -171.033 flat angles P-C4'-P energy: -120.724 tors. eta vs tors. theta energy: -219.855 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: 7 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2351.451767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.451767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.451767 (E_RNA) where: Base-Base interactions energy: -1618.470 where: short stacking energy: -659.897 Base-Backbone interact. energy: -1.506 local terms energy: -731.475180 where: bonds (distance) C4'-P energy: -149.859 bonds (distance) P-C4' energy: -157.697 flat angles C4'-P-C4' energy: -159.743 flat angles P-C4'-P energy: -93.399 tors. eta vs tors. theta energy: -170.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2266.603801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.603801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.603801 (E_RNA) where: Base-Base interactions energy: -1544.887 where: short stacking energy: -651.064 Base-Backbone interact. energy: -1.830 local terms energy: -719.886774 where: bonds (distance) C4'-P energy: -151.873 bonds (distance) P-C4' energy: -131.009 flat angles C4'-P-C4' energy: -150.603 flat angles P-C4'-P energy: -94.716 tors. eta vs tors. theta energy: -191.686 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: 8 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2033.145020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.145020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.145020 (E_RNA) where: Base-Base interactions energy: -1397.658 where: short stacking energy: -576.496 Base-Backbone interact. energy: 0.109 local terms energy: -635.596221 where: bonds (distance) C4'-P energy: -138.287 bonds (distance) P-C4' energy: -118.390 flat angles C4'-P-C4' energy: -140.780 flat angles P-C4'-P energy: -87.774 tors. eta vs tors. theta energy: -150.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1738.145448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.145448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.145448 (E_RNA) where: Base-Base interactions energy: -1122.237 where: short stacking energy: -497.499 Base-Backbone interact. energy: -1.935 local terms energy: -613.972966 where: bonds (distance) C4'-P energy: -103.846 bonds (distance) P-C4' energy: -146.514 flat angles C4'-P-C4' energy: -132.797 flat angles P-C4'-P energy: -102.694 tors. eta vs tors. theta energy: -128.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1565.913886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.913886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.913886 (E_RNA) where: Base-Base interactions energy: -993.762 where: short stacking energy: -471.002 Base-Backbone interact. energy: 2.599 local terms energy: -575.288442 where: bonds (distance) C4'-P energy: -133.637 bonds (distance) P-C4' energy: -132.392 flat angles C4'-P-C4' energy: -129.002 flat angles P-C4'-P energy: -78.857 tors. eta vs tors. theta energy: -101.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.537 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1310.311271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.311271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.311271 (E_RNA) where: Base-Base interactions energy: -795.738 where: short stacking energy: -399.393 Base-Backbone interact. energy: -1.319 local terms energy: -513.254100 where: bonds (distance) C4'-P energy: -105.336 bonds (distance) P-C4' energy: -117.417 flat angles C4'-P-C4' energy: -135.517 flat angles P-C4'-P energy: -72.297 tors. eta vs tors. theta energy: -82.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -1096.317633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.317633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.317633 (E_RNA) where: Base-Base interactions energy: -596.900 where: short stacking energy: -304.198 Base-Backbone interact. energy: -1.543 local terms energy: -497.874227 where: bonds (distance) C4'-P energy: -116.680 bonds (distance) P-C4' energy: -123.429 flat angles C4'-P-C4' energy: -135.639 flat angles P-C4'-P energy: -81.125 tors. eta vs tors. theta energy: -41.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -915.322491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.322491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.322491 (E_RNA) where: Base-Base interactions energy: -497.298 where: short stacking energy: -254.671 Base-Backbone interact. energy: 6.407 local terms energy: -424.431306 where: bonds (distance) C4'-P energy: -117.340 bonds (distance) P-C4' energy: -118.618 flat angles C4'-P-C4' energy: -113.966 flat angles P-C4'-P energy: -58.334 tors. eta vs tors. theta energy: -16.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2577.567714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.567714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.567714 (E_RNA) where: Base-Base interactions energy: -1770.548 where: short stacking energy: -741.157 Base-Backbone interact. energy: -2.353 local terms energy: -804.667486 where: bonds (distance) C4'-P energy: -132.169 bonds (distance) P-C4' energy: -158.354 flat angles C4'-P-C4' energy: -166.765 flat angles P-C4'-P energy: -119.761 tors. eta vs tors. theta energy: -227.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2509.165197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.165197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.165197 (E_RNA) where: Base-Base interactions energy: -1711.064 where: short stacking energy: -750.475 Base-Backbone interact. energy: -2.475 local terms energy: -795.626183 where: bonds (distance) C4'-P energy: -140.074 bonds (distance) P-C4' energy: -153.591 flat angles C4'-P-C4' energy: -171.495 flat angles P-C4'-P energy: -104.098 tors. eta vs tors. theta energy: -226.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2368.208972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.208972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.208972 (E_RNA) where: Base-Base interactions energy: -1654.113 where: short stacking energy: -693.966 Base-Backbone interact. energy: -0.944 local terms energy: -713.151788 where: bonds (distance) C4'-P energy: -142.813 bonds (distance) P-C4' energy: -131.401 flat angles C4'-P-C4' energy: -156.201 flat angles P-C4'-P energy: -95.519 tors. eta vs tors. theta energy: -187.218 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: 4 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2234.762938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.762938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.762938 (E_RNA) where: Base-Base interactions energy: -1562.537 where: short stacking energy: -653.389 Base-Backbone interact. energy: 0.603 local terms energy: -672.828348 where: bonds (distance) C4'-P energy: -122.512 bonds (distance) P-C4' energy: -134.413 flat angles C4'-P-C4' energy: -155.484 flat angles P-C4'-P energy: -86.872 tors. eta vs tors. theta energy: -173.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2008.581741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.581741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.581741 (E_RNA) where: Base-Base interactions energy: -1350.904 where: short stacking energy: -582.905 Base-Backbone interact. energy: -0.882 local terms energy: -656.795518 where: bonds (distance) C4'-P energy: -139.859 bonds (distance) P-C4' energy: -137.058 flat angles C4'-P-C4' energy: -140.333 flat angles P-C4'-P energy: -91.337 tors. eta vs tors. theta energy: -148.209 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: 6 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1701.867230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.867230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.867230 (E_RNA) where: Base-Base interactions energy: -1125.521 where: short stacking energy: -501.997 Base-Backbone interact. energy: 0.244 local terms energy: -576.589686 where: bonds (distance) C4'-P energy: -113.690 bonds (distance) P-C4' energy: -121.684 flat angles C4'-P-C4' energy: -135.814 flat angles P-C4'-P energy: -88.401 tors. eta vs tors. theta energy: -117.001 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: 9 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1620.661780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.661780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.661780 (E_RNA) where: Base-Base interactions energy: -1081.503 where: short stacking energy: -476.668 Base-Backbone interact. energy: -2.023 local terms energy: -537.135745 where: bonds (distance) C4'-P energy: -132.237 bonds (distance) P-C4' energy: -107.766 flat angles C4'-P-C4' energy: -125.103 flat angles P-C4'-P energy: -78.520 tors. eta vs tors. theta energy: -93.511 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: 5 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1332.527536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.527536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.527536 (E_RNA) where: Base-Base interactions energy: -821.819 where: short stacking energy: -374.418 Base-Backbone interact. energy: 1.722 local terms energy: -512.431079 where: bonds (distance) C4'-P energy: -135.808 bonds (distance) P-C4' energy: -111.437 flat angles C4'-P-C4' energy: -132.179 flat angles P-C4'-P energy: -77.132 tors. eta vs tors. theta energy: -55.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -1033.973784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.973784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.973784 (E_RNA) where: Base-Base interactions energy: -600.391 where: short stacking energy: -283.296 Base-Backbone interact. energy: 3.801 local terms energy: -437.383426 where: bonds (distance) C4'-P energy: -113.642 bonds (distance) P-C4' energy: -115.072 flat angles C4'-P-C4' energy: -133.610 flat angles P-C4'-P energy: -55.494 tors. eta vs tors. theta energy: -19.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -978.055578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.055578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.055578 (E_RNA) where: Base-Base interactions energy: -540.886 where: short stacking energy: -272.645 Base-Backbone interact. energy: -2.655 local terms energy: -434.514486 where: bonds (distance) C4'-P energy: -114.397 bonds (distance) P-C4' energy: -139.480 flat angles C4'-P-C4' energy: -109.491 flat angles P-C4'-P energy: -49.836 tors. eta vs tors. theta energy: -21.310 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: 3 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -2589.598344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.598344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.598344 (E_RNA) where: Base-Base interactions energy: -1790.909 where: short stacking energy: -781.981 Base-Backbone interact. energy: -2.908 local terms energy: -795.781145 where: bonds (distance) C4'-P energy: -138.752 bonds (distance) P-C4' energy: -154.738 flat angles C4'-P-C4' energy: -168.023 flat angles P-C4'-P energy: -103.963 tors. eta vs tors. theta energy: -230.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2503.780075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.780075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.780075 (E_RNA) where: Base-Base interactions energy: -1729.734 where: short stacking energy: -744.443 Base-Backbone interact. energy: -1.852 local terms energy: -772.194502 where: bonds (distance) C4'-P energy: -136.716 bonds (distance) P-C4' energy: -152.027 flat angles C4'-P-C4' energy: -166.845 flat angles P-C4'-P energy: -97.956 tors. eta vs tors. theta energy: -218.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2388.945926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.945926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.945926 (E_RNA) where: Base-Base interactions energy: -1655.966 where: short stacking energy: -684.517 Base-Backbone interact. energy: -1.625 local terms energy: -731.355210 where: bonds (distance) C4'-P energy: -135.036 bonds (distance) P-C4' energy: -139.538 flat angles C4'-P-C4' energy: -149.846 flat angles P-C4'-P energy: -111.530 tors. eta vs tors. theta energy: -195.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2238.668564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.668564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.668564 (E_RNA) where: Base-Base interactions energy: -1563.260 where: short stacking energy: -634.736 Base-Backbone interact. energy: 0.478 local terms energy: -675.886352 where: bonds (distance) C4'-P energy: -133.392 bonds (distance) P-C4' energy: -134.653 flat angles C4'-P-C4' energy: -150.576 flat angles P-C4'-P energy: -76.384 tors. eta vs tors. theta energy: -180.881 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: 8 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2040.501417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.501417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.501417 (E_RNA) where: Base-Base interactions energy: -1394.481 where: short stacking energy: -622.082 Base-Backbone interact. energy: 0.435 local terms energy: -646.455504 where: bonds (distance) C4'-P energy: -125.732 bonds (distance) P-C4' energy: -141.972 flat angles C4'-P-C4' energy: -138.383 flat angles P-C4'-P energy: -93.510 tors. eta vs tors. theta energy: -146.858 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: 6, replica: 6 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1720.676760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.676760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.676760 (E_RNA) where: Base-Base interactions energy: -1156.169 where: short stacking energy: -503.223 Base-Backbone interact. energy: 1.318 local terms energy: -565.826171 where: bonds (distance) C4'-P energy: -108.325 bonds (distance) P-C4' energy: -118.433 flat angles C4'-P-C4' energy: -137.611 flat angles P-C4'-P energy: -88.035 tors. eta vs tors. theta energy: -113.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1649.613185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.613185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.613185 (E_RNA) where: Base-Base interactions energy: -1094.849 where: short stacking energy: -470.839 Base-Backbone interact. energy: 0.640 local terms energy: -555.404258 where: bonds (distance) C4'-P energy: -99.973 bonds (distance) P-C4' energy: -140.935 flat angles C4'-P-C4' energy: -148.738 flat angles P-C4'-P energy: -75.292 tors. eta vs tors. theta energy: -90.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1363.584727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.584727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.584727 (E_RNA) where: Base-Base interactions energy: -798.034 where: short stacking energy: -387.316 Base-Backbone interact. energy: -2.361 local terms energy: -563.190438 where: bonds (distance) C4'-P energy: -144.715 bonds (distance) P-C4' energy: -131.704 flat angles C4'-P-C4' energy: -129.017 flat angles P-C4'-P energy: -86.157 tors. eta vs tors. theta energy: -71.598 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: 304 Temperature: 1.300000 Total energy: -1044.498763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.498763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.498763 (E_RNA) where: Base-Base interactions energy: -563.233 where: short stacking energy: -294.078 Base-Backbone interact. energy: -0.134 local terms energy: -481.132231 where: bonds (distance) C4'-P energy: -126.409 bonds (distance) P-C4' energy: -117.053 flat angles C4'-P-C4' energy: -118.149 flat angles P-C4'-P energy: -73.786 tors. eta vs tors. theta energy: -45.735 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: 1 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -910.819861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.819861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.819861 (E_RNA) where: Base-Base interactions energy: -498.078 where: short stacking energy: -256.690 Base-Backbone interact. energy: 12.390 local terms energy: -425.131735 where: bonds (distance) C4'-P energy: -99.085 bonds (distance) P-C4' energy: -134.238 flat angles C4'-P-C4' energy: -103.615 flat angles P-C4'-P energy: -80.307 tors. eta vs tors. theta energy: -7.887 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: 1, replica: 3 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -2582.479245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.479245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.479245 (E_RNA) where: Base-Base interactions energy: -1751.913 where: short stacking energy: -772.435 Base-Backbone interact. energy: 0.168 local terms energy: -830.734414 where: bonds (distance) C4'-P energy: -136.910 bonds (distance) P-C4' energy: -156.899 flat angles C4'-P-C4' energy: -166.280 flat angles P-C4'-P energy: -122.125 tors. eta vs tors. theta energy: -248.520 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: 2 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2519.148882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.148882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.148882 (E_RNA) where: Base-Base interactions energy: -1736.115 where: short stacking energy: -735.468 Base-Backbone interact. energy: -0.661 local terms energy: -782.373382 where: bonds (distance) C4'-P energy: -140.461 bonds (distance) P-C4' energy: -141.197 flat angles C4'-P-C4' energy: -171.128 flat angles P-C4'-P energy: -111.257 tors. eta vs tors. theta energy: -218.331 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: 3, replica: 7 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2367.000036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.000036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.000036 (E_RNA) where: Base-Base interactions energy: -1624.712 where: short stacking energy: -665.008 Base-Backbone interact. energy: -2.265 local terms energy: -740.022978 where: bonds (distance) C4'-P energy: -136.771 bonds (distance) P-C4' energy: -154.082 flat angles C4'-P-C4' energy: -161.403 flat angles P-C4'-P energy: -100.587 tors. eta vs tors. theta energy: -187.179 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: 4 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2251.884773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.884773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.884773 (E_RNA) where: Base-Base interactions energy: -1553.491 where: short stacking energy: -636.363 Base-Backbone interact. energy: 0.196 local terms energy: -698.589040 where: bonds (distance) C4'-P energy: -125.888 bonds (distance) P-C4' energy: -148.482 flat angles C4'-P-C4' energy: -143.468 flat angles P-C4'-P energy: -101.853 tors. eta vs tors. theta energy: -178.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1984.323531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.323531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.323531 (E_RNA) where: Base-Base interactions energy: -1326.737 where: short stacking energy: -581.554 Base-Backbone interact. energy: 1.162 local terms energy: -658.748325 where: bonds (distance) C4'-P energy: -142.571 bonds (distance) P-C4' energy: -128.134 flat angles C4'-P-C4' energy: -141.802 flat angles P-C4'-P energy: -98.744 tors. eta vs tors. theta energy: -147.498 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: 6 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1759.801715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.801715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.801715 (E_RNA) where: Base-Base interactions energy: -1150.934 where: short stacking energy: -486.423 Base-Backbone interact. energy: -3.537 local terms energy: -605.330629 where: bonds (distance) C4'-P energy: -141.661 bonds (distance) P-C4' energy: -125.756 flat angles C4'-P-C4' energy: -137.898 flat angles P-C4'-P energy: -75.335 tors. eta vs tors. theta energy: -124.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1588.684920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.684920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.684920 (E_RNA) where: Base-Base interactions energy: -983.059 where: short stacking energy: -479.060 Base-Backbone interact. energy: 0.578 local terms energy: -606.203446 where: bonds (distance) C4'-P energy: -141.226 bonds (distance) P-C4' energy: -130.683 flat angles C4'-P-C4' energy: -129.984 flat angles P-C4'-P energy: -95.288 tors. eta vs tors. theta energy: -109.022 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: 5 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1381.210818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.210818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.210818 (E_RNA) where: Base-Base interactions energy: -839.228 where: short stacking energy: -399.313 Base-Backbone interact. energy: 1.006 local terms energy: -542.989009 where: bonds (distance) C4'-P energy: -134.353 bonds (distance) P-C4' energy: -140.198 flat angles C4'-P-C4' energy: -131.325 flat angles P-C4'-P energy: -69.153 tors. eta vs tors. theta energy: -67.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -1072.726773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.726773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.726773 (E_RNA) where: Base-Base interactions energy: -583.683 where: short stacking energy: -318.937 Base-Backbone interact. energy: -1.732 local terms energy: -487.311866 where: bonds (distance) C4'-P energy: -135.085 bonds (distance) P-C4' energy: -123.938 flat angles C4'-P-C4' energy: -122.777 flat angles P-C4'-P energy: -69.778 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: 10, replica: 1 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -864.988991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.988991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.988991 (E_RNA) where: Base-Base interactions energy: -462.001 where: short stacking energy: -226.494 Base-Backbone interact. energy: 1.248 local terms energy: -404.235508 where: bonds (distance) C4'-P energy: -111.543 bonds (distance) P-C4' energy: -113.907 flat angles C4'-P-C4' energy: -122.451 flat angles P-C4'-P energy: -51.089 tors. eta vs tors. theta energy: -5.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2587.593786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.593786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.593786 (E_RNA) where: Base-Base interactions energy: -1764.882 where: short stacking energy: -764.270 Base-Backbone interact. energy: -3.811 local terms energy: -818.967779 where: bonds (distance) C4'-P energy: -164.186 bonds (distance) P-C4' energy: -150.110 flat angles C4'-P-C4' energy: -166.791 flat angles P-C4'-P energy: -110.438 tors. eta vs tors. theta energy: -227.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.067 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2503.643491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.643491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.643491 (E_RNA) where: Base-Base interactions energy: -1716.924 where: short stacking energy: -708.902 Base-Backbone interact. energy: 1.565 local terms energy: -788.284908 where: bonds (distance) C4'-P energy: -155.156 bonds (distance) P-C4' energy: -153.574 flat angles C4'-P-C4' energy: -168.233 flat angles P-C4'-P energy: -106.103 tors. eta vs tors. theta energy: -205.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2368.067803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.067803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.067803 (E_RNA) where: Base-Base interactions energy: -1626.421 where: short stacking energy: -677.331 Base-Backbone interact. energy: -1.139 local terms energy: -740.508598 where: bonds (distance) C4'-P energy: -140.121 bonds (distance) P-C4' energy: -144.266 flat angles C4'-P-C4' energy: -166.558 flat angles P-C4'-P energy: -111.184 tors. eta vs tors. theta energy: -178.380 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: 4 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2245.185244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.185244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.185244 (E_RNA) where: Base-Base interactions energy: -1527.590 where: short stacking energy: -616.670 Base-Backbone interact. energy: -2.324 local terms energy: -715.271555 where: bonds (distance) C4'-P energy: -142.008 bonds (distance) P-C4' energy: -141.827 flat angles C4'-P-C4' energy: -150.374 flat angles P-C4'-P energy: -106.301 tors. eta vs tors. theta energy: -174.761 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: 8 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1977.720542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.720542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.720542 (E_RNA) where: Base-Base interactions energy: -1330.459 where: short stacking energy: -578.282 Base-Backbone interact. energy: 5.025 local terms energy: -652.286795 where: bonds (distance) C4'-P energy: -101.822 bonds (distance) P-C4' energy: -147.437 flat angles C4'-P-C4' energy: -154.810 flat angles P-C4'-P energy: -99.897 tors. eta vs tors. theta energy: -148.321 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: 6, replica: 6 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1767.146296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.146296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.146296 (E_RNA) where: Base-Base interactions energy: -1177.867 where: short stacking energy: -515.380 Base-Backbone interact. energy: -4.404 local terms energy: -584.874724 where: bonds (distance) C4'-P energy: -120.466 bonds (distance) P-C4' energy: -126.144 flat angles C4'-P-C4' energy: -142.939 flat angles P-C4'-P energy: -91.741 tors. eta vs tors. theta energy: -103.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1655.398694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.398694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.398694 (E_RNA) where: Base-Base interactions energy: -1044.207 where: short stacking energy: -494.898 Base-Backbone interact. energy: -0.857 local terms energy: -610.334510 where: bonds (distance) C4'-P energy: -132.015 bonds (distance) P-C4' energy: -139.030 flat angles C4'-P-C4' energy: -132.148 flat angles P-C4'-P energy: -93.357 tors. eta vs tors. theta energy: -113.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1384.964630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.964630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.964630 (E_RNA) where: Base-Base interactions energy: -854.308 where: short stacking energy: -401.229 Base-Backbone interact. energy: -0.388 local terms energy: -530.268446 where: bonds (distance) C4'-P energy: -115.163 bonds (distance) P-C4' energy: -126.487 flat angles C4'-P-C4' energy: -125.323 flat angles P-C4'-P energy: -87.038 tors. eta vs tors. theta energy: -76.256 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: 9, replica: 10 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -1080.892493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.892493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.892493 (E_RNA) where: Base-Base interactions energy: -596.245 where: short stacking energy: -285.665 Base-Backbone interact. energy: 1.063 local terms energy: -485.710543 where: bonds (distance) C4'-P energy: -130.297 bonds (distance) P-C4' energy: -122.046 flat angles C4'-P-C4' energy: -109.717 flat angles P-C4'-P energy: -74.857 tors. eta vs tors. theta energy: -48.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -927.274433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.274433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.274433 (E_RNA) where: Base-Base interactions energy: -531.068 where: short stacking energy: -262.745 Base-Backbone interact. energy: 9.122 local terms energy: -405.327826 where: bonds (distance) C4'-P energy: -122.104 bonds (distance) P-C4' energy: -107.841 flat angles C4'-P-C4' energy: -103.903 flat angles P-C4'-P energy: -73.902 tors. eta vs tors. theta energy: 2.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -2638.261283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.261283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.261283 (E_RNA) where: Base-Base interactions energy: -1827.940 where: short stacking energy: -811.670 Base-Backbone interact. energy: -1.251 local terms energy: -809.070376 where: bonds (distance) C4'-P energy: -148.345 bonds (distance) P-C4' energy: -148.349 flat angles C4'-P-C4' energy: -161.887 flat angles P-C4'-P energy: -110.912 tors. eta vs tors. theta energy: -239.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2523.012633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.012633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.012633 (E_RNA) where: Base-Base interactions energy: -1765.678 where: short stacking energy: -749.193 Base-Backbone interact. energy: 4.925 local terms energy: -762.260294 where: bonds (distance) C4'-P energy: -132.835 bonds (distance) P-C4' energy: -134.858 flat angles C4'-P-C4' energy: -171.301 flat angles P-C4'-P energy: -113.448 tors. eta vs tors. theta energy: -209.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2374.340457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.340457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.340457 (E_RNA) where: Base-Base interactions energy: -1642.634 where: short stacking energy: -689.407 Base-Backbone interact. energy: -3.334 local terms energy: -728.372365 where: bonds (distance) C4'-P energy: -134.762 bonds (distance) P-C4' energy: -141.000 flat angles C4'-P-C4' energy: -158.396 flat angles P-C4'-P energy: -99.526 tors. eta vs tors. theta energy: -194.689 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: 4 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2198.972064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.972064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.972064 (E_RNA) where: Base-Base interactions energy: -1507.830 where: short stacking energy: -635.560 Base-Backbone interact. energy: -2.569 local terms energy: -688.573133 where: bonds (distance) C4'-P energy: -134.503 bonds (distance) P-C4' energy: -142.666 flat angles C4'-P-C4' energy: -165.578 flat angles P-C4'-P energy: -88.024 tors. eta vs tors. theta energy: -157.801 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: 8 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2000.061601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.061601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.061601 (E_RNA) where: Base-Base interactions energy: -1316.978 where: short stacking energy: -582.389 Base-Backbone interact. energy: 8.103 local terms energy: -691.186402 where: bonds (distance) C4'-P energy: -139.048 bonds (distance) P-C4' energy: -137.992 flat angles C4'-P-C4' energy: -157.267 flat angles P-C4'-P energy: -99.724 tors. eta vs tors. theta energy: -157.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1821.630393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.630393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.630393 (E_RNA) where: Base-Base interactions energy: -1193.849 where: short stacking energy: -542.474 Base-Backbone interact. energy: 3.831 local terms energy: -631.612517 where: bonds (distance) C4'-P energy: -124.124 bonds (distance) P-C4' energy: -129.163 flat angles C4'-P-C4' energy: -155.291 flat angles P-C4'-P energy: -83.513 tors. eta vs tors. theta energy: -139.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1644.971170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.971170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.971170 (E_RNA) where: Base-Base interactions energy: -1051.345 where: short stacking energy: -454.343 Base-Backbone interact. energy: 0.109 local terms energy: -593.734954 where: bonds (distance) C4'-P energy: -121.589 bonds (distance) P-C4' energy: -140.044 flat angles C4'-P-C4' energy: -136.282 flat angles P-C4'-P energy: -90.675 tors. eta vs tors. theta energy: -105.144 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: 8, replica: 5 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1339.008089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.008089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.008089 (E_RNA) where: Base-Base interactions energy: -809.181 where: short stacking energy: -402.540 Base-Backbone interact. energy: 2.035 local terms energy: -531.861840 where: bonds (distance) C4'-P energy: -132.677 bonds (distance) P-C4' energy: -128.253 flat angles C4'-P-C4' energy: -132.770 flat angles P-C4'-P energy: -71.256 tors. eta vs tors. theta energy: -66.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -1144.409597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.409597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.409597 (E_RNA) where: Base-Base interactions energy: -687.123 where: short stacking energy: -346.346 Base-Backbone interact. energy: -2.101 local terms energy: -455.186165 where: bonds (distance) C4'-P energy: -111.988 bonds (distance) P-C4' energy: -128.855 flat angles C4'-P-C4' energy: -108.926 flat angles P-C4'-P energy: -53.887 tors. eta vs tors. theta energy: -51.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -926.066724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.066724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.066724 (E_RNA) where: Base-Base interactions energy: -493.582 where: short stacking energy: -261.413 Base-Backbone interact. energy: -0.343 local terms energy: -432.141526 where: bonds (distance) C4'-P energy: -120.073 bonds (distance) P-C4' energy: -132.938 flat angles C4'-P-C4' energy: -90.419 flat angles P-C4'-P energy: -71.364 tors. eta vs tors. theta energy: -17.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2617.813741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.813741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.813741 (E_RNA) where: Base-Base interactions energy: -1812.482 where: short stacking energy: -820.326 Base-Backbone interact. energy: -2.345 local terms energy: -802.987212 where: bonds (distance) C4'-P energy: -138.951 bonds (distance) P-C4' energy: -154.871 flat angles C4'-P-C4' energy: -162.100 flat angles P-C4'-P energy: -111.376 tors. eta vs tors. theta energy: -235.690 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: 2 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2502.723503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.723503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.723503 (E_RNA) where: Base-Base interactions energy: -1697.797 where: short stacking energy: -758.670 Base-Backbone interact. energy: -1.461 local terms energy: -803.465739 where: bonds (distance) C4'-P energy: -146.770 bonds (distance) P-C4' energy: -153.737 flat angles C4'-P-C4' energy: -169.205 flat angles P-C4'-P energy: -104.904 tors. eta vs tors. theta energy: -228.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2375.997862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.997862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.997862 (E_RNA) where: Base-Base interactions energy: -1632.794 where: short stacking energy: -699.770 Base-Backbone interact. energy: -0.151 local terms energy: -743.053112 where: bonds (distance) C4'-P energy: -146.942 bonds (distance) P-C4' energy: -147.174 flat angles C4'-P-C4' energy: -159.755 flat angles P-C4'-P energy: -100.949 tors. eta vs tors. theta energy: -188.234 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: 4 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2219.274524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.274524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.274524 (E_RNA) where: Base-Base interactions energy: -1541.434 where: short stacking energy: -617.616 Base-Backbone interact. energy: 1.569 local terms energy: -679.409233 where: bonds (distance) C4'-P energy: -134.655 bonds (distance) P-C4' energy: -134.800 flat angles C4'-P-C4' energy: -146.783 flat angles P-C4'-P energy: -89.085 tors. eta vs tors. theta energy: -174.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2098.564624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.564624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.564624 (E_RNA) where: Base-Base interactions energy: -1424.462 where: short stacking energy: -626.054 Base-Backbone interact. energy: -0.035 local terms energy: -674.067386 where: bonds (distance) C4'-P energy: -131.777 bonds (distance) P-C4' energy: -136.548 flat angles C4'-P-C4' energy: -144.135 flat angles P-C4'-P energy: -90.129 tors. eta vs tors. theta energy: -171.479 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: 6 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1878.701620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.701620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.701620 (E_RNA) where: Base-Base interactions energy: -1238.222 where: short stacking energy: -524.167 Base-Backbone interact. energy: 0.925 local terms energy: -641.405316 where: bonds (distance) C4'-P energy: -123.394 bonds (distance) P-C4' energy: -132.337 flat angles C4'-P-C4' energy: -144.566 flat angles P-C4'-P energy: -98.510 tors. eta vs tors. theta energy: -142.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1615.943622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.943622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.943622 (E_RNA) where: Base-Base interactions energy: -1065.917 where: short stacking energy: -469.446 Base-Backbone interact. energy: 6.068 local terms energy: -556.095372 where: bonds (distance) C4'-P energy: -102.315 bonds (distance) P-C4' energy: -129.262 flat angles C4'-P-C4' energy: -129.130 flat angles P-C4'-P energy: -85.971 tors. eta vs tors. theta energy: -109.417 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: 5 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1297.491593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.491593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.491593 (E_RNA) where: Base-Base interactions energy: -773.466 where: short stacking energy: -382.521 Base-Backbone interact. energy: -4.933 local terms energy: -519.093023 where: bonds (distance) C4'-P energy: -122.377 bonds (distance) P-C4' energy: -142.177 flat angles C4'-P-C4' energy: -117.209 flat angles P-C4'-P energy: -70.034 tors. eta vs tors. theta energy: -67.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1109.668153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.668153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.668153 (E_RNA) where: Base-Base interactions energy: -647.163 where: short stacking energy: -333.707 Base-Backbone interact. energy: 0.095 local terms energy: -462.600620 where: bonds (distance) C4'-P energy: -94.408 bonds (distance) P-C4' energy: -132.762 flat angles C4'-P-C4' energy: -116.355 flat angles P-C4'-P energy: -68.601 tors. eta vs tors. theta energy: -50.475 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: 1 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -978.749437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.749437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.749437 (E_RNA) where: Base-Base interactions energy: -545.525 where: short stacking energy: -276.578 Base-Backbone interact. energy: -2.100 local terms energy: -431.124219 where: bonds (distance) C4'-P energy: -124.626 bonds (distance) P-C4' energy: -114.923 flat angles C4'-P-C4' energy: -115.819 flat angles P-C4'-P energy: -70.988 tors. eta vs tors. theta energy: -4.768 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: 3 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -2631.922502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.922502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.922502 (E_RNA) where: Base-Base interactions energy: -1823.411 where: short stacking energy: -798.253 Base-Backbone interact. energy: -2.774 local terms energy: -805.736943 where: bonds (distance) C4'-P energy: -141.912 bonds (distance) P-C4' energy: -162.215 flat angles C4'-P-C4' energy: -163.081 flat angles P-C4'-P energy: -111.808 tors. eta vs tors. theta energy: -226.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2506.053983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.053983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.053983 (E_RNA) where: Base-Base interactions energy: -1744.758 where: short stacking energy: -752.506 Base-Backbone interact. energy: -2.407 local terms energy: -758.889421 where: bonds (distance) C4'-P energy: -142.690 bonds (distance) P-C4' energy: -134.362 flat angles C4'-P-C4' energy: -155.213 flat angles P-C4'-P energy: -111.534 tors. eta vs tors. theta energy: -215.090 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: 7 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2399.860517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.860517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.860517 (E_RNA) where: Base-Base interactions energy: -1648.739 where: short stacking energy: -730.333 Base-Backbone interact. energy: 0.713 local terms energy: -751.835055 where: bonds (distance) C4'-P energy: -130.999 bonds (distance) P-C4' energy: -151.906 flat angles C4'-P-C4' energy: -167.450 flat angles P-C4'-P energy: -113.302 tors. eta vs tors. theta energy: -188.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2177.608434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.608434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.608434 (E_RNA) where: Base-Base interactions energy: -1485.417 where: short stacking energy: -644.897 Base-Backbone interact. energy: 1.282 local terms energy: -693.473324 where: bonds (distance) C4'-P energy: -134.879 bonds (distance) P-C4' energy: -138.544 flat angles C4'-P-C4' energy: -150.885 flat angles P-C4'-P energy: -101.056 tors. eta vs tors. theta energy: -168.109 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: 4 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2130.597141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.597141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.597141 (E_RNA) where: Base-Base interactions energy: -1463.701 where: short stacking energy: -600.148 Base-Backbone interact. energy: 1.163 local terms energy: -668.058757 where: bonds (distance) C4'-P energy: -138.958 bonds (distance) P-C4' energy: -132.760 flat angles C4'-P-C4' energy: -138.587 flat angles P-C4'-P energy: -100.709 tors. eta vs tors. theta energy: -157.044 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: 6 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1937.495072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.495072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.495072 (E_RNA) where: Base-Base interactions energy: -1276.521 where: short stacking energy: -572.606 Base-Backbone interact. energy: -3.480 local terms energy: -657.494299 where: bonds (distance) C4'-P energy: -137.498 bonds (distance) P-C4' energy: -144.959 flat angles C4'-P-C4' energy: -152.920 flat angles P-C4'-P energy: -85.635 tors. eta vs tors. theta energy: -136.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1610.113819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.113819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.113819 (E_RNA) where: Base-Base interactions energy: -1066.482 where: short stacking energy: -459.022 Base-Backbone interact. energy: -0.528 local terms energy: -543.103597 where: bonds (distance) C4'-P energy: -125.403 bonds (distance) P-C4' energy: -117.716 flat angles C4'-P-C4' energy: -133.201 flat angles P-C4'-P energy: -77.441 tors. eta vs tors. theta energy: -89.343 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: 5 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1374.549675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.549675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.549675 (E_RNA) where: Base-Base interactions energy: -835.370 where: short stacking energy: -421.422 Base-Backbone interact. energy: -3.715 local terms energy: -535.464579 where: bonds (distance) C4'-P energy: -124.897 bonds (distance) P-C4' energy: -126.753 flat angles C4'-P-C4' energy: -128.900 flat angles P-C4'-P energy: -75.774 tors. eta vs tors. theta energy: -79.140 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: 10 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -1052.426564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.426564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.426564 (E_RNA) where: Base-Base interactions energy: -613.151 where: short stacking energy: -299.496 Base-Backbone interact. energy: -0.091 local terms energy: -439.184788 where: bonds (distance) C4'-P energy: -120.031 bonds (distance) P-C4' energy: -104.976 flat angles C4'-P-C4' energy: -123.467 flat angles P-C4'-P energy: -67.992 tors. eta vs tors. theta energy: -22.719 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: 1 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -934.663958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.663958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.663958 (E_RNA) where: Base-Base interactions energy: -535.751 where: short stacking energy: -273.321 Base-Backbone interact. energy: 3.904 local terms energy: -402.816875 where: bonds (distance) C4'-P energy: -113.645 bonds (distance) P-C4' energy: -120.324 flat angles C4'-P-C4' energy: -102.523 flat angles P-C4'-P energy: -58.881 tors. eta vs tors. theta energy: -7.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -2616.957242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.957242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.957242 (E_RNA) where: Base-Base interactions energy: -1771.909 where: short stacking energy: -784.440 Base-Backbone interact. energy: 0.187 local terms energy: -845.234569 where: bonds (distance) C4'-P energy: -137.640 bonds (distance) P-C4' energy: -160.853 flat angles C4'-P-C4' energy: -181.791 flat angles P-C4'-P energy: -124.167 tors. eta vs tors. theta energy: -240.783 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: 2 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2488.929746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.929746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.929746 (E_RNA) where: Base-Base interactions energy: -1698.179 where: short stacking energy: -751.153 Base-Backbone interact. energy: -0.655 local terms energy: -790.096239 where: bonds (distance) C4'-P energy: -133.729 bonds (distance) P-C4' energy: -155.096 flat angles C4'-P-C4' energy: -163.147 flat angles P-C4'-P energy: -112.633 tors. eta vs tors. theta energy: -225.491 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: 310 Temperature: 1.000000 Total energy: -2341.069507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.069507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.069507 (E_RNA) where: Base-Base interactions energy: -1607.630 where: short stacking energy: -684.763 Base-Backbone interact. energy: 0.352 local terms energy: -733.790607 where: bonds (distance) C4'-P energy: -122.278 bonds (distance) P-C4' energy: -146.435 flat angles C4'-P-C4' energy: -171.631 flat angles P-C4'-P energy: -108.211 tors. eta vs tors. theta energy: -185.237 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: 4, replica: 8 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2169.557284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.557284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.557284 (E_RNA) where: Base-Base interactions energy: -1478.383 where: short stacking energy: -620.325 Base-Backbone interact. energy: -8.379 local terms energy: -682.795531 where: bonds (distance) C4'-P energy: -141.963 bonds (distance) P-C4' energy: -137.797 flat angles C4'-P-C4' energy: -157.766 flat angles P-C4'-P energy: -89.645 tors. eta vs tors. theta energy: -155.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2157.449002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.449002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.449002 (E_RNA) where: Base-Base interactions energy: -1479.216 where: short stacking energy: -620.136 Base-Backbone interact. energy: 0.800 local terms energy: -679.033442 where: bonds (distance) C4'-P energy: -132.071 bonds (distance) P-C4' energy: -136.554 flat angles C4'-P-C4' energy: -148.733 flat angles P-C4'-P energy: -90.656 tors. eta vs tors. theta energy: -171.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1907.041323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.041323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.041323 (E_RNA) where: Base-Base interactions energy: -1296.219 where: short stacking energy: -549.574 Base-Backbone interact. energy: 1.943 local terms energy: -612.766165 where: bonds (distance) C4'-P energy: -134.312 bonds (distance) P-C4' energy: -129.774 flat angles C4'-P-C4' energy: -125.155 flat angles P-C4'-P energy: -86.216 tors. eta vs tors. theta energy: -137.309 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: 9 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1614.522356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.522356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.522356 (E_RNA) where: Base-Base interactions energy: -1060.521 where: short stacking energy: -478.356 Base-Backbone interact. energy: 0.720 local terms energy: -554.721564 where: bonds (distance) C4'-P energy: -118.550 bonds (distance) P-C4' energy: -132.171 flat angles C4'-P-C4' energy: -127.610 flat angles P-C4'-P energy: -60.065 tors. eta vs tors. theta energy: -116.327 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: 8, replica: 5 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1334.707199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.707199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.707199 (E_RNA) where: Base-Base interactions energy: -822.660 where: short stacking energy: -381.587 Base-Backbone interact. energy: -2.197 local terms energy: -509.850165 where: bonds (distance) C4'-P energy: -127.388 bonds (distance) P-C4' energy: -128.718 flat angles C4'-P-C4' energy: -125.145 flat angles P-C4'-P energy: -54.135 tors. eta vs tors. theta energy: -74.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -1054.711675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.711675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.711675 (E_RNA) where: Base-Base interactions energy: -606.274 where: short stacking energy: -317.307 Base-Backbone interact. energy: -3.995 local terms energy: -444.442991 where: bonds (distance) C4'-P energy: -120.256 bonds (distance) P-C4' energy: -126.756 flat angles C4'-P-C4' energy: -105.268 flat angles P-C4'-P energy: -54.651 tors. eta vs tors. theta energy: -37.511 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: 1 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -937.438174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.438174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.438174 (E_RNA) where: Base-Base interactions energy: -500.847 where: short stacking energy: -241.653 Base-Backbone interact. energy: 0.985 local terms energy: -437.576095 where: bonds (distance) C4'-P energy: -97.909 bonds (distance) P-C4' energy: -136.576 flat angles C4'-P-C4' energy: -116.489 flat angles P-C4'-P energy: -68.986 tors. eta vs tors. theta energy: -17.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -2596.729558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.729558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.729558 (E_RNA) where: Base-Base interactions energy: -1787.369 where: short stacking energy: -782.774 Base-Backbone interact. energy: -3.887 local terms energy: -805.474040 where: bonds (distance) C4'-P energy: -137.013 bonds (distance) P-C4' energy: -143.838 flat angles C4'-P-C4' energy: -175.749 flat angles P-C4'-P energy: -120.265 tors. eta vs tors. theta energy: -228.609 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: 2 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2551.273149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.273149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.273149 (E_RNA) where: Base-Base interactions energy: -1731.783 where: short stacking energy: -744.615 Base-Backbone interact. energy: -1.302 local terms energy: -818.188919 where: bonds (distance) C4'-P energy: -138.811 bonds (distance) P-C4' energy: -154.725 flat angles C4'-P-C4' energy: -175.519 flat angles P-C4'-P energy: -119.240 tors. eta vs tors. theta energy: -229.893 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: 7 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2351.639670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.639670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.639670 (E_RNA) where: Base-Base interactions energy: -1613.520 where: short stacking energy: -672.458 Base-Backbone interact. energy: -4.794 local terms energy: -733.325615 where: bonds (distance) C4'-P energy: -136.283 bonds (distance) P-C4' energy: -147.084 flat angles C4'-P-C4' energy: -166.508 flat angles P-C4'-P energy: -103.501 tors. eta vs tors. theta energy: -179.950 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: 4 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2286.735962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.735962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.735962 (E_RNA) where: Base-Base interactions energy: -1573.330 where: short stacking energy: -673.351 Base-Backbone interact. energy: 0.364 local terms energy: -713.770517 where: bonds (distance) C4'-P energy: -131.085 bonds (distance) P-C4' energy: -136.741 flat angles C4'-P-C4' energy: -157.244 flat angles P-C4'-P energy: -101.335 tors. eta vs tors. theta energy: -187.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2117.089667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.089667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.089667 (E_RNA) where: Base-Base interactions energy: -1442.593 where: short stacking energy: -604.838 Base-Backbone interact. energy: -3.170 local terms energy: -671.327152 where: bonds (distance) C4'-P energy: -143.768 bonds (distance) P-C4' energy: -131.721 flat angles C4'-P-C4' energy: -144.346 flat angles P-C4'-P energy: -99.529 tors. eta vs tors. theta energy: -151.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1932.804161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.804161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.804161 (E_RNA) where: Base-Base interactions energy: -1335.906 where: short stacking energy: -601.047 Base-Backbone interact. energy: 7.963 local terms energy: -604.861536 where: bonds (distance) C4'-P energy: -121.236 bonds (distance) P-C4' energy: -119.246 flat angles C4'-P-C4' energy: -133.839 flat angles P-C4'-P energy: -89.175 tors. eta vs tors. theta energy: -141.366 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: 311 Temperature: 1.200000 Total energy: -1680.792568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.792568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.792568 (E_RNA) where: Base-Base interactions energy: -1096.092 where: short stacking energy: -494.453 Base-Backbone interact. energy: -1.046 local terms energy: -583.654146 where: bonds (distance) C4'-P energy: -116.890 bonds (distance) P-C4' energy: -127.084 flat angles C4'-P-C4' energy: -145.233 flat angles P-C4'-P energy: -82.009 tors. eta vs tors. theta energy: -112.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1246.668544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.668544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.668544 (E_RNA) where: Base-Base interactions energy: -729.710 where: short stacking energy: -382.229 Base-Backbone interact. energy: -1.098 local terms energy: -515.860219 where: bonds (distance) C4'-P energy: -109.532 bonds (distance) P-C4' energy: -133.605 flat angles C4'-P-C4' energy: -134.298 flat angles P-C4'-P energy: -85.178 tors. eta vs tors. theta energy: -53.247 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: 311 Temperature: 1.300000 Total energy: -1085.486569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.486569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.486569 (E_RNA) where: Base-Base interactions energy: -622.149 where: short stacking energy: -299.786 Base-Backbone interact. energy: 1.000 local terms energy: -464.337181 where: bonds (distance) C4'-P energy: -129.702 bonds (distance) P-C4' energy: -121.651 flat angles C4'-P-C4' energy: -112.544 flat angles P-C4'-P energy: -69.913 tors. eta vs tors. theta energy: -30.527 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: 10, replica: 1 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -922.639046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.639046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.639046 (E_RNA) where: Base-Base interactions energy: -493.789 where: short stacking energy: -257.385 Base-Backbone interact. energy: 3.140 local terms energy: -431.989300 where: bonds (distance) C4'-P energy: -116.687 bonds (distance) P-C4' energy: -127.972 flat angles C4'-P-C4' energy: -108.907 flat angles P-C4'-P energy: -61.615 tors. eta vs tors. theta energy: -16.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -2618.783468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.783468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.783468 (E_RNA) where: Base-Base interactions energy: -1797.758 where: short stacking energy: -798.429 Base-Backbone interact. energy: -2.853 local terms energy: -818.172436 where: bonds (distance) C4'-P energy: -136.702 bonds (distance) P-C4' energy: -155.056 flat angles C4'-P-C4' energy: -167.017 flat angles P-C4'-P energy: -124.642 tors. eta vs tors. theta energy: -234.755 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: 2 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2527.080473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.080473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.080473 (E_RNA) where: Base-Base interactions energy: -1731.248 where: short stacking energy: -766.274 Base-Backbone interact. energy: -1.580 local terms energy: -794.252542 where: bonds (distance) C4'-P energy: -142.504 bonds (distance) P-C4' energy: -146.869 flat angles C4'-P-C4' energy: -173.001 flat angles P-C4'-P energy: -112.073 tors. eta vs tors. theta energy: -219.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2372.982583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.982583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.982583 (E_RNA) where: Base-Base interactions energy: -1628.914 where: short stacking energy: -705.716 Base-Backbone interact. energy: 1.561 local terms energy: -745.629575 where: bonds (distance) C4'-P energy: -150.845 bonds (distance) P-C4' energy: -138.191 flat angles C4'-P-C4' energy: -144.141 flat angles P-C4'-P energy: -114.766 tors. eta vs tors. theta energy: -197.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2253.749653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.749653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.749653 (E_RNA) where: Base-Base interactions energy: -1575.985 where: short stacking energy: -642.841 Base-Backbone interact. energy: -0.779 local terms energy: -676.985801 where: bonds (distance) C4'-P energy: -125.715 bonds (distance) P-C4' energy: -117.839 flat angles C4'-P-C4' energy: -160.651 flat angles P-C4'-P energy: -95.260 tors. eta vs tors. theta energy: -177.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2028.138317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.138317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.138317 (E_RNA) where: Base-Base interactions energy: -1372.325 where: short stacking energy: -580.350 Base-Backbone interact. energy: -0.634 local terms energy: -655.178706 where: bonds (distance) C4'-P energy: -139.086 bonds (distance) P-C4' energy: -137.514 flat angles C4'-P-C4' energy: -153.518 flat angles P-C4'-P energy: -79.974 tors. eta vs tors. theta energy: -145.087 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: 6, replica: 6 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1887.267710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.267710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.267710 (E_RNA) where: Base-Base interactions energy: -1243.547 where: short stacking energy: -532.289 Base-Backbone interact. energy: -0.618 local terms energy: -643.103215 where: bonds (distance) C4'-P energy: -125.535 bonds (distance) P-C4' energy: -142.356 flat angles C4'-P-C4' energy: -157.966 flat angles P-C4'-P energy: -80.761 tors. eta vs tors. theta energy: -136.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1685.497158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.497158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.497158 (E_RNA) where: Base-Base interactions energy: -1137.495 where: short stacking energy: -501.102 Base-Backbone interact. energy: -4.020 local terms energy: -543.982097 where: bonds (distance) C4'-P energy: -109.547 bonds (distance) P-C4' energy: -119.364 flat angles C4'-P-C4' energy: -129.688 flat angles P-C4'-P energy: -77.583 tors. eta vs tors. theta energy: -107.800 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: 5 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1256.482946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.482946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.482946 (E_RNA) where: Base-Base interactions energy: -762.936 where: short stacking energy: -375.474 Base-Backbone interact. energy: -3.242 local terms energy: -490.304805 where: bonds (distance) C4'-P energy: -96.515 bonds (distance) P-C4' energy: -142.060 flat angles C4'-P-C4' energy: -127.878 flat angles P-C4'-P energy: -63.617 tors. eta vs tors. theta energy: -60.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -1113.198203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.198203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.198203 (E_RNA) where: Base-Base interactions energy: -622.667 where: short stacking energy: -331.955 Base-Backbone interact. energy: -3.751 local terms energy: -486.780938 where: bonds (distance) C4'-P energy: -132.711 bonds (distance) P-C4' energy: -120.428 flat angles C4'-P-C4' energy: -112.057 flat angles P-C4'-P energy: -77.552 tors. eta vs tors. theta energy: -44.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -869.041623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.041623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.041623 (E_RNA) where: Base-Base interactions energy: -483.426 where: short stacking energy: -251.796 Base-Backbone interact. energy: -2.573 local terms energy: -383.042580 where: bonds (distance) C4'-P energy: -96.742 bonds (distance) P-C4' energy: -111.729 flat angles C4'-P-C4' energy: -112.379 flat angles P-C4'-P energy: -53.320 tors. eta vs tors. theta energy: -8.873 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: 3 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -2598.137119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.137119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.137119 (E_RNA) where: Base-Base interactions energy: -1762.228 where: short stacking energy: -775.896 Base-Backbone interact. energy: -3.430 local terms energy: -832.479181 where: bonds (distance) C4'-P energy: -140.959 bonds (distance) P-C4' energy: -158.391 flat angles C4'-P-C4' energy: -180.029 flat angles P-C4'-P energy: -112.718 tors. eta vs tors. theta energy: -240.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2507.622207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.622207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.622207 (E_RNA) where: Base-Base interactions energy: -1708.148 where: short stacking energy: -752.978 Base-Backbone interact. energy: -2.030 local terms energy: -797.443970 where: bonds (distance) C4'-P energy: -138.940 bonds (distance) P-C4' energy: -145.202 flat angles C4'-P-C4' energy: -169.844 flat angles P-C4'-P energy: -115.371 tors. eta vs tors. theta energy: -228.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2327.356090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.356090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.356090 (E_RNA) where: Base-Base interactions energy: -1611.230 where: short stacking energy: -683.756 Base-Backbone interact. energy: -1.037 local terms energy: -715.088414 where: bonds (distance) C4'-P energy: -141.542 bonds (distance) P-C4' energy: -142.165 flat angles C4'-P-C4' energy: -158.178 flat angles P-C4'-P energy: -84.855 tors. eta vs tors. theta energy: -188.349 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: 4, replica: 7 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2276.074238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.074238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.074238 (E_RNA) where: Base-Base interactions energy: -1565.241 where: short stacking energy: -656.485 Base-Backbone interact. energy: -1.582 local terms energy: -709.250440 where: bonds (distance) C4'-P energy: -143.268 bonds (distance) P-C4' energy: -145.311 flat angles C4'-P-C4' energy: -155.446 flat angles P-C4'-P energy: -95.859 tors. eta vs tors. theta energy: -169.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2043.742248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.742248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.742248 (E_RNA) where: Base-Base interactions energy: -1356.966 where: short stacking energy: -612.833 Base-Backbone interact. energy: 0.658 local terms energy: -687.434796 where: bonds (distance) C4'-P energy: -132.444 bonds (distance) P-C4' energy: -138.331 flat angles C4'-P-C4' energy: -160.871 flat angles P-C4'-P energy: -90.700 tors. eta vs tors. theta energy: -165.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1900.068706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.068706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.068706 (E_RNA) where: Base-Base interactions energy: -1275.949 where: short stacking energy: -535.428 Base-Backbone interact. energy: -0.976 local terms energy: -623.144333 where: bonds (distance) C4'-P energy: -116.913 bonds (distance) P-C4' energy: -140.736 flat angles C4'-P-C4' energy: -137.327 flat angles P-C4'-P energy: -78.170 tors. eta vs tors. theta energy: -149.999 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: 7, replica: 9 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1771.951398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.951398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.951398 (E_RNA) where: Base-Base interactions energy: -1189.189 where: short stacking energy: -521.264 Base-Backbone interact. energy: -2.953 local terms energy: -579.809388 where: bonds (distance) C4'-P energy: -143.344 bonds (distance) P-C4' energy: -110.650 flat angles C4'-P-C4' energy: -113.993 flat angles P-C4'-P energy: -87.569 tors. eta vs tors. theta energy: -124.253 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: 5 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1246.144711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.144711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.144711 (E_RNA) where: Base-Base interactions energy: -722.564 where: short stacking energy: -343.056 Base-Backbone interact. energy: 4.659 local terms energy: -528.240522 where: bonds (distance) C4'-P energy: -121.689 bonds (distance) P-C4' energy: -120.702 flat angles C4'-P-C4' energy: -129.698 flat angles P-C4'-P energy: -91.686 tors. eta vs tors. theta energy: -64.466 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: 9, replica: 10 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -1070.432787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.432787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.432787 (E_RNA) where: Base-Base interactions energy: -643.183 where: short stacking energy: -307.272 Base-Backbone interact. energy: 7.518 local terms energy: -434.767494 where: bonds (distance) C4'-P energy: -105.563 bonds (distance) P-C4' energy: -113.430 flat angles C4'-P-C4' energy: -115.591 flat angles P-C4'-P energy: -56.921 tors. eta vs tors. theta energy: -43.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -863.081109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.081109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.081109 (E_RNA) where: Base-Base interactions energy: -417.722 where: short stacking energy: -255.334 Base-Backbone interact. energy: 2.085 local terms energy: -447.444623 where: bonds (distance) C4'-P energy: -121.039 bonds (distance) P-C4' energy: -135.556 flat angles C4'-P-C4' energy: -111.318 flat angles P-C4'-P energy: -52.014 tors. eta vs tors. theta energy: -27.518 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: 3 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2584.940363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.940363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.940363 (E_RNA) where: Base-Base interactions energy: -1742.790 where: short stacking energy: -765.068 Base-Backbone interact. energy: 2.416 local terms energy: -844.566507 where: bonds (distance) C4'-P energy: -159.453 bonds (distance) P-C4' energy: -154.639 flat angles C4'-P-C4' energy: -183.167 flat angles P-C4'-P energy: -112.010 tors. eta vs tors. theta energy: -235.298 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: 2 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2540.459093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.459093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.459093 (E_RNA) where: Base-Base interactions energy: -1720.329 where: short stacking energy: -766.634 Base-Backbone interact. energy: -1.561 local terms energy: -818.568562 where: bonds (distance) C4'-P energy: -140.838 bonds (distance) P-C4' energy: -164.775 flat angles C4'-P-C4' energy: -173.898 flat angles P-C4'-P energy: -108.376 tors. eta vs tors. theta energy: -230.681 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: 3, replica: 4 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2319.095076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.095076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.095076 (E_RNA) where: Base-Base interactions energy: -1592.789 where: short stacking energy: -678.280 Base-Backbone interact. energy: 1.621 local terms energy: -727.926459 where: bonds (distance) C4'-P energy: -138.123 bonds (distance) P-C4' energy: -140.882 flat angles C4'-P-C4' energy: -145.981 flat angles P-C4'-P energy: -112.258 tors. eta vs tors. theta energy: -190.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2293.612588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.612588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.612588 (E_RNA) where: Base-Base interactions energy: -1592.546 where: short stacking energy: -638.709 Base-Backbone interact. energy: 1.303 local terms energy: -702.369833 where: bonds (distance) C4'-P energy: -144.934 bonds (distance) P-C4' energy: -143.190 flat angles C4'-P-C4' energy: -151.932 flat angles P-C4'-P energy: -92.845 tors. eta vs tors. theta energy: -169.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2079.167140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.167140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.167140 (E_RNA) where: Base-Base interactions energy: -1407.774 where: short stacking energy: -617.516 Base-Backbone interact. energy: -2.796 local terms energy: -668.597355 where: bonds (distance) C4'-P energy: -126.889 bonds (distance) P-C4' energy: -138.925 flat angles C4'-P-C4' energy: -141.669 flat angles P-C4'-P energy: -92.500 tors. eta vs tors. theta energy: -168.615 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: 6 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1883.974535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.974535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.974535 (E_RNA) where: Base-Base interactions energy: -1278.443 where: short stacking energy: -539.170 Base-Backbone interact. energy: 0.403 local terms energy: -605.934817 where: bonds (distance) C4'-P energy: -108.693 bonds (distance) P-C4' energy: -145.609 flat angles C4'-P-C4' energy: -129.924 flat angles P-C4'-P energy: -88.694 tors. eta vs tors. theta energy: -133.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1742.406875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.406875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.406875 (E_RNA) where: Base-Base interactions energy: -1148.746 where: short stacking energy: -496.114 Base-Backbone interact. energy: 1.707 local terms energy: -595.367704 where: bonds (distance) C4'-P energy: -116.037 bonds (distance) P-C4' energy: -121.071 flat angles C4'-P-C4' energy: -145.126 flat angles P-C4'-P energy: -84.325 tors. eta vs tors. theta energy: -128.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1250.192734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.192734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.192734 (E_RNA) where: Base-Base interactions energy: -739.183 where: short stacking energy: -365.574 Base-Backbone interact. energy: -0.560 local terms energy: -510.449947 where: bonds (distance) C4'-P energy: -121.834 bonds (distance) P-C4' energy: -106.327 flat angles C4'-P-C4' energy: -147.051 flat angles P-C4'-P energy: -70.251 tors. eta vs tors. theta energy: -64.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -1005.163013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.163013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.163013 (E_RNA) where: Base-Base interactions energy: -542.648 where: short stacking energy: -271.377 Base-Backbone interact. energy: -1.995 local terms energy: -460.520675 where: bonds (distance) C4'-P energy: -135.290 bonds (distance) P-C4' energy: -115.384 flat angles C4'-P-C4' energy: -114.158 flat angles P-C4'-P energy: -81.747 tors. eta vs tors. theta energy: -13.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -822.761369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.761369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.761369 (E_RNA) where: Base-Base interactions energy: -422.411 where: short stacking energy: -231.275 Base-Backbone interact. energy: 1.679 local terms energy: -402.029816 where: bonds (distance) C4'-P energy: -131.189 bonds (distance) P-C4' energy: -90.579 flat angles C4'-P-C4' energy: -102.188 flat angles P-C4'-P energy: -76.257 tors. eta vs tors. theta energy: -1.817 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: 3 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -2588.590783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.590783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.590783 (E_RNA) where: Base-Base interactions energy: -1765.597 where: short stacking energy: -763.329 Base-Backbone interact. energy: -1.267 local terms energy: -822.224508 where: bonds (distance) C4'-P energy: -139.583 bonds (distance) P-C4' energy: -148.048 flat angles C4'-P-C4' energy: -175.363 flat angles P-C4'-P energy: -118.144 tors. eta vs tors. theta energy: -241.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.498 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2512.680766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.680766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.680766 (E_RNA) where: Base-Base interactions energy: -1717.609 where: short stacking energy: -755.127 Base-Backbone interact. energy: -4.049 local terms energy: -791.023218 where: bonds (distance) C4'-P energy: -155.105 bonds (distance) P-C4' energy: -147.025 flat angles C4'-P-C4' energy: -168.431 flat angles P-C4'-P energy: -102.981 tors. eta vs tors. theta energy: -217.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2292.967582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.967582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.967582 (E_RNA) where: Base-Base interactions energy: -1565.149 where: short stacking energy: -645.677 Base-Backbone interact. energy: 1.339 local terms energy: -729.157109 where: bonds (distance) C4'-P energy: -154.265 bonds (distance) P-C4' energy: -140.428 flat angles C4'-P-C4' energy: -167.079 flat angles P-C4'-P energy: -85.402 tors. eta vs tors. theta energy: -181.983 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: 7 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2254.213898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.213898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.213898 (E_RNA) where: Base-Base interactions energy: -1559.439 where: short stacking energy: -633.721 Base-Backbone interact. energy: -0.474 local terms energy: -694.300354 where: bonds (distance) C4'-P energy: -126.268 bonds (distance) P-C4' energy: -124.121 flat angles C4'-P-C4' energy: -157.123 flat angles P-C4'-P energy: -110.346 tors. eta vs tors. theta energy: -176.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2067.004508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.004508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.004508 (E_RNA) where: Base-Base interactions energy: -1370.390 where: short stacking energy: -643.210 Base-Backbone interact. energy: 0.571 local terms energy: -697.185975 where: bonds (distance) C4'-P energy: -130.564 bonds (distance) P-C4' energy: -124.023 flat angles C4'-P-C4' energy: -156.548 flat angles P-C4'-P energy: -106.150 tors. eta vs tors. theta energy: -179.901 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: 6 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1876.984082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.984082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.984082 (E_RNA) where: Base-Base interactions energy: -1237.962 where: short stacking energy: -529.579 Base-Backbone interact. energy: 0.146 local terms energy: -639.167919 where: bonds (distance) C4'-P energy: -134.610 bonds (distance) P-C4' energy: -129.961 flat angles C4'-P-C4' energy: -148.126 flat angles P-C4'-P energy: -82.474 tors. eta vs tors. theta energy: -143.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1746.036381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.036381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.036381 (E_RNA) where: Base-Base interactions energy: -1170.429 where: short stacking energy: -485.299 Base-Backbone interact. energy: 3.484 local terms energy: -579.092073 where: bonds (distance) C4'-P energy: -122.409 bonds (distance) P-C4' energy: -119.572 flat angles C4'-P-C4' energy: -137.363 flat angles P-C4'-P energy: -93.905 tors. eta vs tors. theta energy: -105.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1269.959745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.959745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.959745 (E_RNA) where: Base-Base interactions energy: -757.752 where: short stacking energy: -368.664 Base-Backbone interact. energy: 0.662 local terms energy: -512.870474 where: bonds (distance) C4'-P energy: -125.972 bonds (distance) P-C4' energy: -138.166 flat angles C4'-P-C4' energy: -110.674 flat angles P-C4'-P energy: -79.324 tors. eta vs tors. theta energy: -58.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1025.028485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.028485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.028485 (E_RNA) where: Base-Base interactions energy: -586.861 where: short stacking energy: -319.048 Base-Backbone interact. energy: 8.413 local terms energy: -446.580806 where: bonds (distance) C4'-P energy: -108.724 bonds (distance) P-C4' energy: -136.794 flat angles C4'-P-C4' energy: -106.407 flat angles P-C4'-P energy: -64.897 tors. eta vs tors. theta energy: -29.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -806.624915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.624915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.624915 (E_RNA) where: Base-Base interactions energy: -413.349 where: short stacking energy: -232.433 Base-Backbone interact. energy: -1.427 local terms energy: -391.848454 where: bonds (distance) C4'-P energy: -123.130 bonds (distance) P-C4' energy: -111.465 flat angles C4'-P-C4' energy: -92.798 flat angles P-C4'-P energy: -73.947 tors. eta vs tors. theta energy: 9.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2578.380586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.380586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.380586 (E_RNA) where: Base-Base interactions energy: -1739.062 where: short stacking energy: -778.477 Base-Backbone interact. energy: -3.167 local terms energy: -836.152131 where: bonds (distance) C4'-P energy: -157.578 bonds (distance) P-C4' energy: -143.838 flat angles C4'-P-C4' energy: -174.938 flat angles P-C4'-P energy: -115.260 tors. eta vs tors. theta energy: -244.538 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: 2, replica: 2 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2503.075838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.075838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.075838 (E_RNA) where: Base-Base interactions energy: -1699.799 where: short stacking energy: -743.515 Base-Backbone interact. energy: -1.799 local terms energy: -801.478137 where: bonds (distance) C4'-P energy: -156.509 bonds (distance) P-C4' energy: -164.164 flat angles C4'-P-C4' energy: -162.898 flat angles P-C4'-P energy: -100.593 tors. eta vs tors. theta energy: -217.315 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: 4 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2282.224384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.224384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.224384 (E_RNA) where: Base-Base interactions energy: -1565.825 where: short stacking energy: -652.760 Base-Backbone interact. energy: 1.255 local terms energy: -717.654615 where: bonds (distance) C4'-P energy: -140.343 bonds (distance) P-C4' energy: -149.360 flat angles C4'-P-C4' energy: -156.303 flat angles P-C4'-P energy: -101.985 tors. eta vs tors. theta energy: -169.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2342.607653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.607653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.607653 (E_RNA) where: Base-Base interactions energy: -1613.496 where: short stacking energy: -673.388 Base-Backbone interact. energy: 0.117 local terms energy: -729.228586 where: bonds (distance) C4'-P energy: -138.799 bonds (distance) P-C4' energy: -146.619 flat angles C4'-P-C4' energy: -163.894 flat angles P-C4'-P energy: -99.190 tors. eta vs tors. theta energy: -180.726 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: 8 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2030.953467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.953467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.953467 (E_RNA) where: Base-Base interactions energy: -1374.916 where: short stacking energy: -602.658 Base-Backbone interact. energy: -0.890 local terms energy: -655.147104 where: bonds (distance) C4'-P energy: -126.914 bonds (distance) P-C4' energy: -130.765 flat angles C4'-P-C4' energy: -153.518 flat angles P-C4'-P energy: -95.202 tors. eta vs tors. theta energy: -148.748 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: 6, replica: 6 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1871.358842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.358842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.358842 (E_RNA) where: Base-Base interactions energy: -1253.649 where: short stacking energy: -512.305 Base-Backbone interact. energy: -3.449 local terms energy: -614.261336 where: bonds (distance) C4'-P energy: -125.260 bonds (distance) P-C4' energy: -126.660 flat angles C4'-P-C4' energy: -153.780 flat angles P-C4'-P energy: -81.115 tors. eta vs tors. theta energy: -127.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1692.937842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.937842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.937842 (E_RNA) where: Base-Base interactions energy: -1119.788 where: short stacking energy: -507.222 Base-Backbone interact. energy: 2.951 local terms energy: -576.100887 where: bonds (distance) C4'-P energy: -109.871 bonds (distance) P-C4' energy: -127.393 flat angles C4'-P-C4' energy: -136.084 flat angles P-C4'-P energy: -80.417 tors. eta vs tors. theta energy: -122.336 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: 5 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1278.877993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.877993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.877993 (E_RNA) where: Base-Base interactions energy: -779.769 where: short stacking energy: -357.316 Base-Backbone interact. energy: -0.582 local terms energy: -498.527506 where: bonds (distance) C4'-P energy: -125.372 bonds (distance) P-C4' energy: -126.140 flat angles C4'-P-C4' energy: -124.825 flat angles P-C4'-P energy: -64.899 tors. eta vs tors. theta energy: -57.291 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: 316 Temperature: 1.300000 Total energy: -1035.187906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.187906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.187906 (E_RNA) where: Base-Base interactions energy: -589.106 where: short stacking energy: -307.479 Base-Backbone interact. energy: 1.238 local terms energy: -447.319751 where: bonds (distance) C4'-P energy: -116.256 bonds (distance) P-C4' energy: -128.122 flat angles C4'-P-C4' energy: -133.456 flat angles P-C4'-P energy: -57.177 tors. eta vs tors. theta energy: -12.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -800.296778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.296778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.296778 (E_RNA) where: Base-Base interactions energy: -429.243 where: short stacking energy: -239.380 Base-Backbone interact. energy: 2.139 local terms energy: -373.192727 where: bonds (distance) C4'-P energy: -110.466 bonds (distance) P-C4' energy: -99.485 flat angles C4'-P-C4' energy: -106.933 flat angles P-C4'-P energy: -54.494 tors. eta vs tors. theta energy: -1.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -2583.495532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.495532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.495532 (E_RNA) where: Base-Base interactions energy: -1760.908 where: short stacking energy: -781.123 Base-Backbone interact. energy: -0.814 local terms energy: -821.773387 where: bonds (distance) C4'-P energy: -157.975 bonds (distance) P-C4' energy: -144.810 flat angles C4'-P-C4' energy: -175.689 flat angles P-C4'-P energy: -103.109 tors. eta vs tors. theta energy: -240.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2478.771859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.771859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.771859 (E_RNA) where: Base-Base interactions energy: -1691.472 where: short stacking energy: -724.624 Base-Backbone interact. energy: -2.669 local terms energy: -784.630725 where: bonds (distance) C4'-P energy: -143.982 bonds (distance) P-C4' energy: -145.347 flat angles C4'-P-C4' energy: -162.997 flat angles P-C4'-P energy: -108.197 tors. eta vs tors. theta energy: -224.107 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: 4 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2346.861288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.861288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.861288 (E_RNA) where: Base-Base interactions energy: -1602.149 where: short stacking energy: -690.581 Base-Backbone interact. energy: 1.545 local terms energy: -746.257665 where: bonds (distance) C4'-P energy: -154.983 bonds (distance) P-C4' energy: -138.008 flat angles C4'-P-C4' energy: -162.278 flat angles P-C4'-P energy: -101.986 tors. eta vs tors. theta energy: -189.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2273.624836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.624836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.624836 (E_RNA) where: Base-Base interactions energy: -1581.114 where: short stacking energy: -644.501 Base-Backbone interact. energy: -0.712 local terms energy: -691.798650 where: bonds (distance) C4'-P energy: -127.354 bonds (distance) P-C4' energy: -145.090 flat angles C4'-P-C4' energy: -153.228 flat angles P-C4'-P energy: -101.418 tors. eta vs tors. theta energy: -164.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1999.862503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.862503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.862503 (E_RNA) where: Base-Base interactions energy: -1363.084 where: short stacking energy: -567.190 Base-Backbone interact. energy: -0.047 local terms energy: -636.731183 where: bonds (distance) C4'-P energy: -128.532 bonds (distance) P-C4' energy: -126.484 flat angles C4'-P-C4' energy: -150.944 flat angles P-C4'-P energy: -99.279 tors. eta vs tors. theta energy: -131.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1872.181670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.181670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.181670 (E_RNA) where: Base-Base interactions energy: -1268.546 where: short stacking energy: -542.426 Base-Backbone interact. energy: -1.842 local terms energy: -601.793164 where: bonds (distance) C4'-P energy: -117.097 bonds (distance) P-C4' energy: -125.494 flat angles C4'-P-C4' energy: -148.055 flat angles P-C4'-P energy: -77.622 tors. eta vs tors. theta energy: -133.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1659.281631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.281631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.281631 (E_RNA) where: Base-Base interactions energy: -1056.558 where: short stacking energy: -492.363 Base-Backbone interact. energy: 3.081 local terms energy: -607.203633 where: bonds (distance) C4'-P energy: -120.868 bonds (distance) P-C4' energy: -141.374 flat angles C4'-P-C4' energy: -142.094 flat angles P-C4'-P energy: -79.493 tors. eta vs tors. theta energy: -123.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.399 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1316.643098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.643098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.643098 (E_RNA) where: Base-Base interactions energy: -810.582 where: short stacking energy: -379.943 Base-Backbone interact. energy: -0.366 local terms energy: -505.694744 where: bonds (distance) C4'-P energy: -97.510 bonds (distance) P-C4' energy: -130.870 flat angles C4'-P-C4' energy: -124.899 flat angles P-C4'-P energy: -76.886 tors. eta vs tors. theta energy: -75.530 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: 317 Temperature: 1.300000 Total energy: -1068.227422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.227422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.227422 (E_RNA) where: Base-Base interactions energy: -609.588 where: short stacking energy: -320.490 Base-Backbone interact. energy: 5.384 local terms energy: -464.023854 where: bonds (distance) C4'-P energy: -115.590 bonds (distance) P-C4' energy: -135.903 flat angles C4'-P-C4' energy: -104.887 flat angles P-C4'-P energy: -65.120 tors. eta vs tors. theta energy: -42.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -787.579965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.579965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.579965 (E_RNA) where: Base-Base interactions energy: -389.000 where: short stacking energy: -202.558 Base-Backbone interact. energy: 0.677 local terms energy: -399.256630 where: bonds (distance) C4'-P energy: -116.409 bonds (distance) P-C4' energy: -125.419 flat angles C4'-P-C4' energy: -98.475 flat angles P-C4'-P energy: -63.773 tors. eta vs tors. theta energy: 4.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2584.157533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.157533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.157533 (E_RNA) where: Base-Base interactions energy: -1761.397 where: short stacking energy: -753.973 Base-Backbone interact. energy: -2.523 local terms energy: -820.237346 where: bonds (distance) C4'-P energy: -149.310 bonds (distance) P-C4' energy: -155.275 flat angles C4'-P-C4' energy: -167.703 flat angles P-C4'-P energy: -112.521 tors. eta vs tors. theta energy: -235.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2523.185988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.185988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.185988 (E_RNA) where: Base-Base interactions energy: -1708.175 where: short stacking energy: -751.565 Base-Backbone interact. energy: -0.500 local terms energy: -814.511371 where: bonds (distance) C4'-P energy: -165.637 bonds (distance) P-C4' energy: -158.216 flat angles C4'-P-C4' energy: -162.399 flat angles P-C4'-P energy: -109.034 tors. eta vs tors. theta energy: -219.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2341.295378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.295378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.295378 (E_RNA) where: Base-Base interactions energy: -1624.836 where: short stacking energy: -672.764 Base-Backbone interact. energy: -2.432 local terms energy: -714.027511 where: bonds (distance) C4'-P energy: -127.619 bonds (distance) P-C4' energy: -152.736 flat angles C4'-P-C4' energy: -158.496 flat angles P-C4'-P energy: -101.513 tors. eta vs tors. theta energy: -173.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2233.014986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.014986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.014986 (E_RNA) where: Base-Base interactions energy: -1526.842 where: short stacking energy: -645.960 Base-Backbone interact. energy: -0.940 local terms energy: -705.232970 where: bonds (distance) C4'-P energy: -129.926 bonds (distance) P-C4' energy: -139.761 flat angles C4'-P-C4' energy: -155.813 flat angles P-C4'-P energy: -105.825 tors. eta vs tors. theta energy: -173.909 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: 8 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2033.030629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.030629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.030629 (E_RNA) where: Base-Base interactions energy: -1375.580 where: short stacking energy: -581.810 Base-Backbone interact. energy: 3.345 local terms energy: -660.795705 where: bonds (distance) C4'-P energy: -128.909 bonds (distance) P-C4' energy: -133.386 flat angles C4'-P-C4' energy: -156.620 flat angles P-C4'-P energy: -92.343 tors. eta vs tors. theta energy: -149.537 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: 6, replica: 6 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1870.533327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.533327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.533327 (E_RNA) where: Base-Base interactions energy: -1214.982 where: short stacking energy: -521.830 Base-Backbone interact. energy: -0.422 local terms energy: -655.128755 where: bonds (distance) C4'-P energy: -120.589 bonds (distance) P-C4' energy: -129.681 flat angles C4'-P-C4' energy: -140.065 flat angles P-C4'-P energy: -100.214 tors. eta vs tors. theta energy: -164.578 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: 318 Temperature: 1.200000 Total energy: -1719.380481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.380481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.380481 (E_RNA) where: Base-Base interactions energy: -1174.917 where: short stacking energy: -516.341 Base-Backbone interact. energy: -0.127 local terms energy: -544.772447 where: bonds (distance) C4'-P energy: -122.509 bonds (distance) P-C4' energy: -136.854 flat angles C4'-P-C4' energy: -113.495 flat angles P-C4'-P energy: -76.445 tors. eta vs tors. theta energy: -95.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.436 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1325.368047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.368047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.368047 (E_RNA) where: Base-Base interactions energy: -789.183 where: short stacking energy: -390.971 Base-Backbone interact. energy: 8.698 local terms energy: -544.883021 where: bonds (distance) C4'-P energy: -112.094 bonds (distance) P-C4' energy: -122.666 flat angles C4'-P-C4' energy: -126.917 flat angles P-C4'-P energy: -96.412 tors. eta vs tors. theta energy: -86.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -1061.724635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.724635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.724635 (E_RNA) where: Base-Base interactions energy: -594.645 where: short stacking energy: -305.700 Base-Backbone interact. energy: 1.305 local terms energy: -468.384552 where: bonds (distance) C4'-P energy: -124.305 bonds (distance) P-C4' energy: -126.104 flat angles C4'-P-C4' energy: -136.560 flat angles P-C4'-P energy: -45.224 tors. eta vs tors. theta energy: -36.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -793.531143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.531143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.531143 (E_RNA) where: Base-Base interactions energy: -402.792 where: short stacking energy: -226.816 Base-Backbone interact. energy: 5.850 local terms energy: -396.588572 where: bonds (distance) C4'-P energy: -111.411 bonds (distance) P-C4' energy: -119.898 flat angles C4'-P-C4' energy: -102.300 flat angles P-C4'-P energy: -60.779 tors. eta vs tors. theta energy: -2.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -2572.101617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.101617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.101617 (E_RNA) where: Base-Base interactions energy: -1757.527 where: short stacking energy: -757.794 Base-Backbone interact. energy: -0.927 local terms energy: -813.647447 where: bonds (distance) C4'-P energy: -145.785 bonds (distance) P-C4' energy: -152.366 flat angles C4'-P-C4' energy: -167.823 flat angles P-C4'-P energy: -117.525 tors. eta vs tors. theta energy: -230.149 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: 2, replica: 2 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2505.135931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.135931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.135931 (E_RNA) where: Base-Base interactions energy: -1707.844 where: short stacking energy: -728.820 Base-Backbone interact. energy: -5.798 local terms energy: -791.493853 where: bonds (distance) C4'-P energy: -140.966 bonds (distance) P-C4' energy: -140.920 flat angles C4'-P-C4' energy: -162.402 flat angles P-C4'-P energy: -128.521 tors. eta vs tors. theta energy: -218.684 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: 7 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2374.515668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.515668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.515668 (E_RNA) where: Base-Base interactions energy: -1638.889 where: short stacking energy: -718.100 Base-Backbone interact. energy: -1.103 local terms energy: -734.523605 where: bonds (distance) C4'-P energy: -130.700 bonds (distance) P-C4' energy: -153.998 flat angles C4'-P-C4' energy: -156.868 flat angles P-C4'-P energy: -107.573 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: 4 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2271.845959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.845959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.845959 (E_RNA) where: Base-Base interactions energy: -1577.842 where: short stacking energy: -664.708 Base-Backbone interact. energy: 1.973 local terms energy: -695.976568 where: bonds (distance) C4'-P energy: -130.409 bonds (distance) P-C4' energy: -133.797 flat angles C4'-P-C4' energy: -158.804 flat angles P-C4'-P energy: -99.862 tors. eta vs tors. theta energy: -173.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2057.007388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.007388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.007388 (E_RNA) where: Base-Base interactions energy: -1367.775 where: short stacking energy: -606.746 Base-Backbone interact. energy: -1.139 local terms energy: -688.094102 where: bonds (distance) C4'-P energy: -128.908 bonds (distance) P-C4' energy: -141.053 flat angles C4'-P-C4' energy: -155.890 flat angles P-C4'-P energy: -114.348 tors. eta vs tors. theta energy: -147.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1811.861669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.861669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.861669 (E_RNA) where: Base-Base interactions energy: -1163.842 where: short stacking energy: -507.708 Base-Backbone interact. energy: -2.335 local terms energy: -645.684573 where: bonds (distance) C4'-P energy: -135.997 bonds (distance) P-C4' energy: -141.556 flat angles C4'-P-C4' energy: -152.166 flat angles P-C4'-P energy: -87.700 tors. eta vs tors. theta energy: -128.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1755.250683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.250683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.250683 (E_RNA) where: Base-Base interactions energy: -1142.398 where: short stacking energy: -491.337 Base-Backbone interact. energy: 1.658 local terms energy: -614.510914 where: bonds (distance) C4'-P energy: -122.886 bonds (distance) P-C4' energy: -127.956 flat angles C4'-P-C4' energy: -139.759 flat angles P-C4'-P energy: -98.939 tors. eta vs tors. theta energy: -124.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1311.262889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.262889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.262889 (E_RNA) where: Base-Base interactions energy: -785.252 where: short stacking energy: -371.160 Base-Backbone interact. energy: -2.667 local terms energy: -523.343875 where: bonds (distance) C4'-P energy: -133.391 bonds (distance) P-C4' energy: -139.971 flat angles C4'-P-C4' energy: -117.333 flat angles P-C4'-P energy: -72.141 tors. eta vs tors. theta energy: -60.509 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: 9, replica: 10 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -973.125717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.125717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.125717 (E_RNA) where: Base-Base interactions energy: -522.087 where: short stacking energy: -276.208 Base-Backbone interact. energy: 1.883 local terms energy: -452.922256 where: bonds (distance) C4'-P energy: -127.617 bonds (distance) P-C4' energy: -129.852 flat angles C4'-P-C4' energy: -113.889 flat angles P-C4'-P energy: -55.833 tors. eta vs tors. theta energy: -25.732 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: 1 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -805.682078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.682078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.682078 (E_RNA) where: Base-Base interactions energy: -431.676 where: short stacking energy: -241.167 Base-Backbone interact. energy: -0.771 local terms energy: -373.234800 where: bonds (distance) C4'-P energy: -111.550 bonds (distance) P-C4' energy: -98.778 flat angles C4'-P-C4' energy: -88.912 flat angles P-C4'-P energy: -68.110 tors. eta vs tors. theta energy: -5.885 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: 3 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2572.743040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.743040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.743040 (E_RNA) where: Base-Base interactions energy: -1757.776 where: short stacking energy: -760.837 Base-Backbone interact. energy: -2.355 local terms energy: -812.612588 where: bonds (distance) C4'-P energy: -143.865 bonds (distance) P-C4' energy: -152.337 flat angles C4'-P-C4' energy: -170.472 flat angles P-C4'-P energy: -116.456 tors. eta vs tors. theta energy: -229.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2483.331119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.331119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.331119 (E_RNA) where: Base-Base interactions energy: -1687.605 where: short stacking energy: -714.868 Base-Backbone interact. energy: -1.450 local terms energy: -794.276056 where: bonds (distance) C4'-P energy: -151.451 bonds (distance) P-C4' energy: -154.395 flat angles C4'-P-C4' energy: -171.731 flat angles P-C4'-P energy: -95.622 tors. eta vs tors. theta energy: -221.077 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: 3, replica: 7 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2340.754496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.754496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.754496 (E_RNA) where: Base-Base interactions energy: -1601.647 where: short stacking energy: -671.707 Base-Backbone interact. energy: -0.023 local terms energy: -739.084390 where: bonds (distance) C4'-P energy: -144.255 bonds (distance) P-C4' energy: -152.198 flat angles C4'-P-C4' energy: -157.045 flat angles P-C4'-P energy: -99.386 tors. eta vs tors. theta energy: -186.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2239.604040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.604040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.604040 (E_RNA) where: Base-Base interactions energy: -1541.583 where: short stacking energy: -610.520 Base-Backbone interact. energy: 2.003 local terms energy: -700.023903 where: bonds (distance) C4'-P energy: -134.056 bonds (distance) P-C4' energy: -147.829 flat angles C4'-P-C4' energy: -154.719 flat angles P-C4'-P energy: -90.350 tors. eta vs tors. theta energy: -173.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2071.041711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.041711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.041711 (E_RNA) where: Base-Base interactions energy: -1405.734 where: short stacking energy: -599.761 Base-Backbone interact. energy: -1.070 local terms energy: -664.237490 where: bonds (distance) C4'-P energy: -132.501 bonds (distance) P-C4' energy: -150.812 flat angles C4'-P-C4' energy: -139.211 flat angles P-C4'-P energy: -86.609 tors. eta vs tors. theta energy: -155.104 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: 6 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1749.499099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.499099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.499099 (E_RNA) where: Base-Base interactions energy: -1136.682 where: short stacking energy: -488.233 Base-Backbone interact. energy: 1.338 local terms energy: -614.155813 where: bonds (distance) C4'-P energy: -129.362 bonds (distance) P-C4' energy: -139.135 flat angles C4'-P-C4' energy: -136.029 flat angles P-C4'-P energy: -68.679 tors. eta vs tors. theta energy: -140.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1753.075396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.075396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.075396 (E_RNA) where: Base-Base interactions energy: -1156.565 where: short stacking energy: -483.091 Base-Backbone interact. energy: 4.967 local terms energy: -601.477493 where: bonds (distance) C4'-P energy: -133.617 bonds (distance) P-C4' energy: -125.940 flat angles C4'-P-C4' energy: -130.421 flat angles P-C4'-P energy: -86.700 tors. eta vs tors. theta energy: -124.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1309.532227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.532227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.532227 (E_RNA) where: Base-Base interactions energy: -821.459 where: short stacking energy: -391.381 Base-Backbone interact. energy: -2.746 local terms energy: -485.327793 where: bonds (distance) C4'-P energy: -122.230 bonds (distance) P-C4' energy: -118.341 flat angles C4'-P-C4' energy: -117.304 flat angles P-C4'-P energy: -62.471 tors. eta vs tors. theta energy: -64.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -1093.615276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.615276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.615276 (E_RNA) where: Base-Base interactions energy: -627.248 where: short stacking energy: -326.142 Base-Backbone interact. energy: 1.075 local terms energy: -467.442829 where: bonds (distance) C4'-P energy: -113.356 bonds (distance) P-C4' energy: -130.901 flat angles C4'-P-C4' energy: -103.480 flat angles P-C4'-P energy: -78.525 tors. eta vs tors. theta energy: -41.181 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: 1 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -864.558728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.558728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.558728 (E_RNA) where: Base-Base interactions energy: -451.439 where: short stacking energy: -241.207 Base-Backbone interact. energy: -3.596 local terms energy: -409.523906 where: bonds (distance) C4'-P energy: -109.196 bonds (distance) P-C4' energy: -135.328 flat angles C4'-P-C4' energy: -91.688 flat angles P-C4'-P energy: -58.626 tors. eta vs tors. theta energy: -14.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -2592.350260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.350260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.350260 (E_RNA) where: Base-Base interactions energy: -1772.722 where: short stacking energy: -766.100 Base-Backbone interact. energy: -2.774 local terms energy: -816.853432 where: bonds (distance) C4'-P energy: -141.243 bonds (distance) P-C4' energy: -145.928 flat angles C4'-P-C4' energy: -183.620 flat angles P-C4'-P energy: -120.595 tors. eta vs tors. theta energy: -225.468 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: 2 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2549.182485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.182485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.182485 (E_RNA) where: Base-Base interactions energy: -1742.064 where: short stacking energy: -733.346 Base-Backbone interact. energy: -2.516 local terms energy: -804.602212 where: bonds (distance) C4'-P energy: -152.030 bonds (distance) P-C4' energy: -153.902 flat angles C4'-P-C4' energy: -176.817 flat angles P-C4'-P energy: -95.698 tors. eta vs tors. theta energy: -226.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2353.849316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.849316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.849316 (E_RNA) where: Base-Base interactions energy: -1645.293 where: short stacking energy: -674.052 Base-Backbone interact. energy: -3.807 local terms energy: -704.750158 where: bonds (distance) C4'-P energy: -124.326 bonds (distance) P-C4' energy: -137.606 flat angles C4'-P-C4' energy: -160.718 flat angles P-C4'-P energy: -89.477 tors. eta vs tors. theta energy: -192.624 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: 321 Temperature: 1.050000 Total energy: -2205.608649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.608649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.608649 (E_RNA) where: Base-Base interactions energy: -1525.225 where: short stacking energy: -647.192 Base-Backbone interact. energy: 1.313 local terms energy: -681.696760 where: bonds (distance) C4'-P energy: -121.666 bonds (distance) P-C4' energy: -143.465 flat angles C4'-P-C4' energy: -146.642 flat angles P-C4'-P energy: -96.491 tors. eta vs tors. theta energy: -173.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2043.311912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.311912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.311912 (E_RNA) where: Base-Base interactions energy: -1370.549 where: short stacking energy: -603.708 Base-Backbone interact. energy: 3.191 local terms energy: -675.953427 where: bonds (distance) C4'-P energy: -139.436 bonds (distance) P-C4' energy: -143.023 flat angles C4'-P-C4' energy: -152.634 flat angles P-C4'-P energy: -86.522 tors. eta vs tors. theta energy: -154.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1824.173460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.173460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.173460 (E_RNA) where: Base-Base interactions energy: -1211.377 where: short stacking energy: -513.700 Base-Backbone interact. energy: -0.514 local terms energy: -612.283157 where: bonds (distance) C4'-P energy: -135.175 bonds (distance) P-C4' energy: -132.436 flat angles C4'-P-C4' energy: -140.755 flat angles P-C4'-P energy: -92.834 tors. eta vs tors. theta energy: -111.083 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: 7, replica: 6 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1648.340838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.340838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.340838 (E_RNA) where: Base-Base interactions energy: -1067.327 where: short stacking energy: -464.573 Base-Backbone interact. energy: 0.035 local terms energy: -581.048249 where: bonds (distance) C4'-P energy: -136.068 bonds (distance) P-C4' energy: -141.156 flat angles C4'-P-C4' energy: -131.125 flat angles P-C4'-P energy: -65.011 tors. eta vs tors. theta energy: -107.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1331.230174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.230174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.230174 (E_RNA) where: Base-Base interactions energy: -791.035 where: short stacking energy: -404.800 Base-Backbone interact. energy: 3.004 local terms energy: -543.199044 where: bonds (distance) C4'-P energy: -118.257 bonds (distance) P-C4' energy: -117.067 flat angles C4'-P-C4' energy: -125.474 flat angles P-C4'-P energy: -100.978 tors. eta vs tors. theta energy: -81.424 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: 321 Temperature: 1.300000 Total energy: -1121.982861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.982861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.982861 (E_RNA) where: Base-Base interactions energy: -655.569 where: short stacking energy: -312.059 Base-Backbone interact. energy: -0.375 local terms energy: -466.038039 where: bonds (distance) C4'-P energy: -113.792 bonds (distance) P-C4' energy: -116.391 flat angles C4'-P-C4' energy: -109.059 flat angles P-C4'-P energy: -75.612 tors. eta vs tors. theta energy: -51.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -846.321917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.321917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.321917 (E_RNA) where: Base-Base interactions energy: -438.822 where: short stacking energy: -244.553 Base-Backbone interact. energy: 9.649 local terms energy: -417.148758 where: bonds (distance) C4'-P energy: -119.007 bonds (distance) P-C4' energy: -131.851 flat angles C4'-P-C4' energy: -102.653 flat angles P-C4'-P energy: -57.002 tors. eta vs tors. theta energy: -6.635 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: 3 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -2626.898201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.898201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.898201 (E_RNA) where: Base-Base interactions energy: -1794.739 where: short stacking energy: -776.926 Base-Backbone interact. energy: 0.785 local terms energy: -832.944897 where: bonds (distance) C4'-P energy: -150.714 bonds (distance) P-C4' energy: -149.426 flat angles C4'-P-C4' energy: -176.538 flat angles P-C4'-P energy: -113.557 tors. eta vs tors. theta energy: -242.710 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: 2 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2494.761423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.761423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.761423 (E_RNA) where: Base-Base interactions energy: -1737.324 where: short stacking energy: -737.333 Base-Backbone interact. energy: -1.798 local terms energy: -755.638816 where: bonds (distance) C4'-P energy: -151.225 bonds (distance) P-C4' energy: -142.565 flat angles C4'-P-C4' energy: -148.441 flat angles P-C4'-P energy: -108.683 tors. eta vs tors. theta energy: -204.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2416.818768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.818768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.818768 (E_RNA) where: Base-Base interactions energy: -1664.900 where: short stacking energy: -709.385 Base-Backbone interact. energy: -3.609 local terms energy: -748.309424 where: bonds (distance) C4'-P energy: -144.666 bonds (distance) P-C4' energy: -136.939 flat angles C4'-P-C4' energy: -169.956 flat angles P-C4'-P energy: -103.137 tors. eta vs tors. theta energy: -193.612 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: 322 Temperature: 1.050000 Total energy: -2175.138555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.138555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.138555 (E_RNA) where: Base-Base interactions energy: -1485.256 where: short stacking energy: -637.050 Base-Backbone interact. energy: -0.625 local terms energy: -689.257792 where: bonds (distance) C4'-P energy: -128.011 bonds (distance) P-C4' energy: -157.497 flat angles C4'-P-C4' energy: -147.755 flat angles P-C4'-P energy: -99.254 tors. eta vs tors. theta energy: -156.740 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: 8 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2066.742032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.742032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.742032 (E_RNA) where: Base-Base interactions energy: -1405.985 where: short stacking energy: -608.468 Base-Backbone interact. energy: -3.272 local terms energy: -657.485467 where: bonds (distance) C4'-P energy: -130.101 bonds (distance) P-C4' energy: -129.104 flat angles C4'-P-C4' energy: -160.749 flat angles P-C4'-P energy: -93.226 tors. eta vs tors. theta energy: -144.306 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: 9 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1906.178323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.178323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.178323 (E_RNA) where: Base-Base interactions energy: -1277.939 where: short stacking energy: -562.152 Base-Backbone interact. energy: 1.764 local terms energy: -630.003846 where: bonds (distance) C4'-P energy: -131.199 bonds (distance) P-C4' energy: -134.460 flat angles C4'-P-C4' energy: -136.365 flat angles P-C4'-P energy: -97.060 tors. eta vs tors. theta energy: -130.921 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: 6 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1635.490478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.490478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.490478 (E_RNA) where: Base-Base interactions energy: -1053.263 where: short stacking energy: -465.478 Base-Backbone interact. energy: -0.646 local terms energy: -581.581070 where: bonds (distance) C4'-P energy: -126.924 bonds (distance) P-C4' energy: -127.917 flat angles C4'-P-C4' energy: -128.166 flat angles P-C4'-P energy: -76.936 tors. eta vs tors. theta energy: -121.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1358.326342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.326342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.326342 (E_RNA) where: Base-Base interactions energy: -832.463 where: short stacking energy: -359.102 Base-Backbone interact. energy: -3.214 local terms energy: -522.648755 where: bonds (distance) C4'-P energy: -100.033 bonds (distance) P-C4' energy: -142.414 flat angles C4'-P-C4' energy: -140.845 flat angles P-C4'-P energy: -76.885 tors. eta vs tors. theta energy: -62.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -1174.807852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.807852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.807852 (E_RNA) where: Base-Base interactions energy: -690.709 where: short stacking energy: -328.114 Base-Backbone interact. energy: -3.168 local terms energy: -480.930543 where: bonds (distance) C4'-P energy: -134.344 bonds (distance) P-C4' energy: -115.433 flat angles C4'-P-C4' energy: -114.763 flat angles P-C4'-P energy: -57.283 tors. eta vs tors. theta energy: -59.107 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: 1 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -842.109351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.109351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.109351 (E_RNA) where: Base-Base interactions energy: -423.987 where: short stacking energy: -235.017 Base-Backbone interact. energy: 0.803 local terms energy: -418.925110 where: bonds (distance) C4'-P energy: -111.260 bonds (distance) P-C4' energy: -113.244 flat angles C4'-P-C4' energy: -121.257 flat angles P-C4'-P energy: -61.287 tors. eta vs tors. theta energy: -11.877 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: 1, replica: 3 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -2606.030764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.030764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.030764 (E_RNA) where: Base-Base interactions energy: -1754.174 where: short stacking energy: -782.686 Base-Backbone interact. energy: -2.137 local terms energy: -849.719309 where: bonds (distance) C4'-P energy: -143.011 bonds (distance) P-C4' energy: -152.638 flat angles C4'-P-C4' energy: -188.908 flat angles P-C4'-P energy: -116.100 tors. eta vs tors. theta energy: -249.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2495.210057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.210057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.210057 (E_RNA) where: Base-Base interactions energy: -1734.703 where: short stacking energy: -732.705 Base-Backbone interact. energy: 0.207 local terms energy: -760.714428 where: bonds (distance) C4'-P energy: -128.041 bonds (distance) P-C4' energy: -153.566 flat angles C4'-P-C4' energy: -170.305 flat angles P-C4'-P energy: -105.567 tors. eta vs tors. theta energy: -203.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2395.431605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.431605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.431605 (E_RNA) where: Base-Base interactions energy: -1666.876 where: short stacking energy: -686.643 Base-Backbone interact. energy: -0.738 local terms energy: -727.817465 where: bonds (distance) C4'-P energy: -150.597 bonds (distance) P-C4' energy: -142.595 flat angles C4'-P-C4' energy: -141.861 flat angles P-C4'-P energy: -108.947 tors. eta vs tors. theta energy: -183.817 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: 4, replica: 4 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2215.804964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.804964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.804964 (E_RNA) where: Base-Base interactions energy: -1504.150 where: short stacking energy: -644.610 Base-Backbone interact. energy: -1.508 local terms energy: -710.147682 where: bonds (distance) C4'-P energy: -136.161 bonds (distance) P-C4' energy: -152.889 flat angles C4'-P-C4' energy: -153.884 flat angles P-C4'-P energy: -105.497 tors. eta vs tors. theta energy: -161.717 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: 8 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2004.979964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.979964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.979964 (E_RNA) where: Base-Base interactions energy: -1336.846 where: short stacking energy: -579.892 Base-Backbone interact. energy: 2.003 local terms energy: -670.137232 where: bonds (distance) C4'-P energy: -130.841 bonds (distance) P-C4' energy: -155.225 flat angles C4'-P-C4' energy: -150.565 flat angles P-C4'-P energy: -87.910 tors. eta vs tors. theta energy: -145.597 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: 9 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1894.012258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.012258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.012258 (E_RNA) where: Base-Base interactions energy: -1245.260 where: short stacking energy: -559.990 Base-Backbone interact. energy: 1.443 local terms energy: -650.194561 where: bonds (distance) C4'-P energy: -129.870 bonds (distance) P-C4' energy: -132.929 flat angles C4'-P-C4' energy: -153.781 flat angles P-C4'-P energy: -86.419 tors. eta vs tors. theta energy: -147.196 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: 6 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1630.418210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.418210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.418210 (E_RNA) where: Base-Base interactions energy: -1077.857 where: short stacking energy: -476.015 Base-Backbone interact. energy: -1.151 local terms energy: -551.410269 where: bonds (distance) C4'-P energy: -127.011 bonds (distance) P-C4' energy: -126.716 flat angles C4'-P-C4' energy: -124.347 flat angles P-C4'-P energy: -72.721 tors. eta vs tors. theta energy: -100.615 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: 5 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1399.594313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.594313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.594313 (E_RNA) where: Base-Base interactions energy: -848.070 where: short stacking energy: -417.506 Base-Backbone interact. energy: 3.620 local terms energy: -555.143528 where: bonds (distance) C4'-P energy: -128.543 bonds (distance) P-C4' energy: -138.800 flat angles C4'-P-C4' energy: -125.916 flat angles P-C4'-P energy: -82.851 tors. eta vs tors. theta energy: -79.034 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: 323 Temperature: 1.300000 Total energy: -1207.454961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.454961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.454961 (E_RNA) where: Base-Base interactions energy: -743.414 where: short stacking energy: -350.875 Base-Backbone interact. energy: -0.843 local terms energy: -463.198156 where: bonds (distance) C4'-P energy: -113.837 bonds (distance) P-C4' energy: -130.826 flat angles C4'-P-C4' energy: -79.667 flat angles P-C4'-P energy: -78.328 tors. eta vs tors. theta energy: -60.541 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: 1 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -872.939379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.939379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.939379 (E_RNA) where: Base-Base interactions energy: -456.755 where: short stacking energy: -251.398 Base-Backbone interact. energy: 1.224 local terms energy: -417.521340 where: bonds (distance) C4'-P energy: -129.517 bonds (distance) P-C4' energy: -119.312 flat angles C4'-P-C4' energy: -103.965 flat angles P-C4'-P energy: -46.840 tors. eta vs tors. theta energy: -17.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.113 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -2610.582571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.582571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.582571 (E_RNA) where: Base-Base interactions energy: -1779.753 where: short stacking energy: -770.669 Base-Backbone interact. energy: -1.227 local terms energy: -829.602253 where: bonds (distance) C4'-P energy: -152.261 bonds (distance) P-C4' energy: -162.877 flat angles C4'-P-C4' energy: -168.599 flat angles P-C4'-P energy: -108.767 tors. eta vs tors. theta energy: -237.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2496.571881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.571881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.571881 (E_RNA) where: Base-Base interactions energy: -1715.724 where: short stacking energy: -732.191 Base-Backbone interact. energy: -1.031 local terms energy: -779.816469 where: bonds (distance) C4'-P energy: -143.185 bonds (distance) P-C4' energy: -147.471 flat angles C4'-P-C4' energy: -172.009 flat angles P-C4'-P energy: -93.595 tors. eta vs tors. theta energy: -223.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2418.557207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.557207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.557207 (E_RNA) where: Base-Base interactions energy: -1672.958 where: short stacking energy: -700.362 Base-Backbone interact. energy: 2.257 local terms energy: -747.856177 where: bonds (distance) C4'-P energy: -141.590 bonds (distance) P-C4' energy: -148.528 flat angles C4'-P-C4' energy: -155.196 flat angles P-C4'-P energy: -103.739 tors. eta vs tors. theta energy: -198.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2245.789315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.789315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.789315 (E_RNA) where: Base-Base interactions energy: -1527.930 where: short stacking energy: -647.562 Base-Backbone interact. energy: -1.320 local terms energy: -716.538725 where: bonds (distance) C4'-P energy: -145.373 bonds (distance) P-C4' energy: -145.316 flat angles C4'-P-C4' energy: -140.721 flat angles P-C4'-P energy: -100.825 tors. eta vs tors. theta energy: -184.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2035.076180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.076180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.076180 (E_RNA) where: Base-Base interactions energy: -1363.928 where: short stacking energy: -621.903 Base-Backbone interact. energy: 0.388 local terms energy: -671.536453 where: bonds (distance) C4'-P energy: -130.461 bonds (distance) P-C4' energy: -139.392 flat angles C4'-P-C4' energy: -142.532 flat angles P-C4'-P energy: -85.436 tors. eta vs tors. theta energy: -173.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1876.768301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.768301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.768301 (E_RNA) where: Base-Base interactions energy: -1269.154 where: short stacking energy: -524.569 Base-Backbone interact. energy: -3.544 local terms energy: -604.070417 where: bonds (distance) C4'-P energy: -107.849 bonds (distance) P-C4' energy: -134.069 flat angles C4'-P-C4' energy: -148.834 flat angles P-C4'-P energy: -87.099 tors. eta vs tors. theta energy: -126.221 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: 6 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1678.515703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.515703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.515703 (E_RNA) where: Base-Base interactions energy: -1070.823 where: short stacking energy: -489.221 Base-Backbone interact. energy: -1.020 local terms energy: -606.672878 where: bonds (distance) C4'-P energy: -129.998 bonds (distance) P-C4' energy: -132.404 flat angles C4'-P-C4' energy: -146.340 flat angles P-C4'-P energy: -89.084 tors. eta vs tors. theta energy: -108.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1444.949488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.949488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.949488 (E_RNA) where: Base-Base interactions energy: -907.511 where: short stacking energy: -430.269 Base-Backbone interact. energy: 2.524 local terms energy: -539.962016 where: bonds (distance) C4'-P energy: -119.945 bonds (distance) P-C4' energy: -125.886 flat angles C4'-P-C4' energy: -129.681 flat angles P-C4'-P energy: -79.855 tors. eta vs tors. theta energy: -84.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -1259.963412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.963412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.963412 (E_RNA) where: Base-Base interactions energy: -771.926 where: short stacking energy: -351.765 Base-Backbone interact. energy: 0.669 local terms energy: -488.705819 where: bonds (distance) C4'-P energy: -142.561 bonds (distance) P-C4' energy: -109.408 flat angles C4'-P-C4' energy: -120.571 flat angles P-C4'-P energy: -57.331 tors. eta vs tors. theta energy: -58.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -835.628065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.628065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.628065 (E_RNA) where: Base-Base interactions energy: -416.196 where: short stacking energy: -248.684 Base-Backbone interact. energy: 2.393 local terms energy: -422.203873 where: bonds (distance) C4'-P energy: -122.284 bonds (distance) P-C4' energy: -110.629 flat angles C4'-P-C4' energy: -106.094 flat angles P-C4'-P energy: -63.589 tors. eta vs tors. theta energy: -19.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.379 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -2599.334372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.334372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.334372 (E_RNA) where: Base-Base interactions energy: -1787.837 where: short stacking energy: -775.170 Base-Backbone interact. energy: -2.169 local terms energy: -809.329256 where: bonds (distance) C4'-P energy: -136.926 bonds (distance) P-C4' energy: -146.720 flat angles C4'-P-C4' energy: -170.829 flat angles P-C4'-P energy: -116.006 tors. eta vs tors. theta energy: -238.848 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: 2 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2552.021029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.021029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.021029 (E_RNA) where: Base-Base interactions energy: -1773.610 where: short stacking energy: -750.897 Base-Backbone interact. energy: -3.243 local terms energy: -775.168809 where: bonds (distance) C4'-P energy: -131.443 bonds (distance) P-C4' energy: -147.166 flat angles C4'-P-C4' energy: -161.295 flat angles P-C4'-P energy: -117.675 tors. eta vs tors. theta energy: -217.589 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: 325 Temperature: 1.000000 Total energy: -2426.996704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.996704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.996704 (E_RNA) where: Base-Base interactions energy: -1703.618 where: short stacking energy: -684.764 Base-Backbone interact. energy: -2.002 local terms energy: -721.376239 where: bonds (distance) C4'-P energy: -135.881 bonds (distance) P-C4' energy: -145.433 flat angles C4'-P-C4' energy: -164.319 flat angles P-C4'-P energy: -101.441 tors. eta vs tors. theta energy: -174.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2241.078151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.078151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.078151 (E_RNA) where: Base-Base interactions energy: -1533.982 where: short stacking energy: -643.548 Base-Backbone interact. energy: -3.122 local terms energy: -703.974213 where: bonds (distance) C4'-P energy: -142.414 bonds (distance) P-C4' energy: -143.271 flat angles C4'-P-C4' energy: -146.775 flat angles P-C4'-P energy: -95.108 tors. eta vs tors. theta energy: -176.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2101.934239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.934239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.934239 (E_RNA) where: Base-Base interactions energy: -1401.234 where: short stacking energy: -635.246 Base-Backbone interact. energy: 1.789 local terms energy: -702.488967 where: bonds (distance) C4'-P energy: -130.127 bonds (distance) P-C4' energy: -129.768 flat angles C4'-P-C4' energy: -162.083 flat angles P-C4'-P energy: -102.416 tors. eta vs tors. theta energy: -178.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1905.758124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.758124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.758124 (E_RNA) where: Base-Base interactions energy: -1271.502 where: short stacking energy: -568.008 Base-Backbone interact. energy: 1.511 local terms energy: -635.767776 where: bonds (distance) C4'-P energy: -109.749 bonds (distance) P-C4' energy: -159.650 flat angles C4'-P-C4' energy: -134.035 flat angles P-C4'-P energy: -96.654 tors. eta vs tors. theta energy: -135.680 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: 6 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1617.134131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.134131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.134131 (E_RNA) where: Base-Base interactions energy: -1081.734 where: short stacking energy: -490.656 Base-Backbone interact. energy: 0.714 local terms energy: -536.114099 where: bonds (distance) C4'-P energy: -116.808 bonds (distance) P-C4' energy: -131.432 flat angles C4'-P-C4' energy: -113.150 flat angles P-C4'-P energy: -70.543 tors. eta vs tors. theta energy: -104.180 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: 5 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1373.172230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.172230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.172230 (E_RNA) where: Base-Base interactions energy: -869.672 where: short stacking energy: -392.433 Base-Backbone interact. energy: -2.533 local terms energy: -500.966709 where: bonds (distance) C4'-P energy: -123.046 bonds (distance) P-C4' energy: -120.920 flat angles C4'-P-C4' energy: -117.786 flat angles P-C4'-P energy: -76.078 tors. eta vs tors. theta energy: -63.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1254.955230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.955230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.955230 (E_RNA) where: Base-Base interactions energy: -791.820 where: short stacking energy: -383.325 Base-Backbone interact. energy: -1.755 local terms energy: -461.380309 where: bonds (distance) C4'-P energy: -102.896 bonds (distance) P-C4' energy: -126.211 flat angles C4'-P-C4' energy: -118.943 flat angles P-C4'-P energy: -69.624 tors. eta vs tors. theta energy: -43.706 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: 1 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -828.120454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.120454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.120454 (E_RNA) where: Base-Base interactions energy: -397.594 where: short stacking energy: -224.295 Base-Backbone interact. energy: 3.163 local terms energy: -433.688781 where: bonds (distance) C4'-P energy: -141.152 bonds (distance) P-C4' energy: -117.993 flat angles C4'-P-C4' energy: -109.284 flat angles P-C4'-P energy: -62.895 tors. eta vs tors. theta energy: -2.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2602.469214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.469214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.469214 (E_RNA) where: Base-Base interactions energy: -1773.424 where: short stacking energy: -776.879 Base-Backbone interact. energy: -2.528 local terms energy: -826.517287 where: bonds (distance) C4'-P energy: -149.810 bonds (distance) P-C4' energy: -149.610 flat angles C4'-P-C4' energy: -168.244 flat angles P-C4'-P energy: -121.015 tors. eta vs tors. theta energy: -237.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2519.265089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.265089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.265089 (E_RNA) where: Base-Base interactions energy: -1729.109 where: short stacking energy: -751.081 Base-Backbone interact. energy: -1.882 local terms energy: -788.274125 where: bonds (distance) C4'-P energy: -155.876 bonds (distance) P-C4' energy: -152.111 flat angles C4'-P-C4' energy: -155.656 flat angles P-C4'-P energy: -105.057 tors. eta vs tors. theta energy: -219.574 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: 7 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2388.569093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.569093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.569093 (E_RNA) where: Base-Base interactions energy: -1638.770 where: short stacking energy: -707.176 Base-Backbone interact. energy: -4.911 local terms energy: -744.887825 where: bonds (distance) C4'-P energy: -138.341 bonds (distance) P-C4' energy: -145.630 flat angles C4'-P-C4' energy: -160.180 flat angles P-C4'-P energy: -99.371 tors. eta vs tors. theta energy: -201.366 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: 326 Temperature: 1.050000 Total energy: -2134.819851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.819851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.819851 (E_RNA) where: Base-Base interactions energy: -1509.422 where: short stacking energy: -600.854 Base-Backbone interact. energy: -1.642 local terms energy: -623.755102 where: bonds (distance) C4'-P energy: -119.199 bonds (distance) P-C4' energy: -126.636 flat angles C4'-P-C4' energy: -147.184 flat angles P-C4'-P energy: -88.261 tors. eta vs tors. theta energy: -142.475 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: 9 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2098.340672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.340672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.340672 (E_RNA) where: Base-Base interactions energy: -1432.991 where: short stacking energy: -609.391 Base-Backbone interact. energy: -0.481 local terms energy: -664.868552 where: bonds (distance) C4'-P energy: -126.784 bonds (distance) P-C4' energy: -142.771 flat angles C4'-P-C4' energy: -156.392 flat angles P-C4'-P energy: -81.449 tors. eta vs tors. theta energy: -157.472 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: 8 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1949.857037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.857037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.857037 (E_RNA) where: Base-Base interactions energy: -1341.238 where: short stacking energy: -588.042 Base-Backbone interact. energy: -2.228 local terms energy: -606.390300 where: bonds (distance) C4'-P energy: -116.669 bonds (distance) P-C4' energy: -127.858 flat angles C4'-P-C4' energy: -133.282 flat angles P-C4'-P energy: -84.625 tors. eta vs tors. theta energy: -143.956 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: 6 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1685.612866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.612866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.612866 (E_RNA) where: Base-Base interactions energy: -1105.232 where: short stacking energy: -471.163 Base-Backbone interact. energy: 0.388 local terms energy: -580.769328 where: bonds (distance) C4'-P energy: -114.679 bonds (distance) P-C4' energy: -138.882 flat angles C4'-P-C4' energy: -139.038 flat angles P-C4'-P energy: -70.516 tors. eta vs tors. theta energy: -117.654 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: 8, replica: 5 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1397.645408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.645408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.645408 (E_RNA) where: Base-Base interactions energy: -865.662 where: short stacking energy: -384.144 Base-Backbone interact. energy: 0.545 local terms energy: -532.528789 where: bonds (distance) C4'-P energy: -123.721 bonds (distance) P-C4' energy: -129.538 flat angles C4'-P-C4' energy: -117.768 flat angles P-C4'-P energy: -94.238 tors. eta vs tors. theta energy: -67.264 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: 10 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -1294.606678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.606678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.606678 (E_RNA) where: Base-Base interactions energy: -808.760 where: short stacking energy: -393.843 Base-Backbone interact. energy: 0.362 local terms energy: -486.208835 where: bonds (distance) C4'-P energy: -105.020 bonds (distance) P-C4' energy: -122.484 flat angles C4'-P-C4' energy: -119.590 flat angles P-C4'-P energy: -73.443 tors. eta vs tors. theta energy: -65.671 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: 1 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -817.009601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.009601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.009601 (E_RNA) where: Base-Base interactions energy: -437.495 where: short stacking energy: -214.399 Base-Backbone interact. energy: 0.577 local terms energy: -380.091399 where: bonds (distance) C4'-P energy: -115.097 bonds (distance) P-C4' energy: -117.480 flat angles C4'-P-C4' energy: -95.093 flat angles P-C4'-P energy: -58.710 tors. eta vs tors. theta energy: 6.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -2590.723980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.723980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.723980 (E_RNA) where: Base-Base interactions energy: -1772.301 where: short stacking energy: -786.122 Base-Backbone interact. energy: -1.830 local terms energy: -816.592765 where: bonds (distance) C4'-P energy: -152.268 bonds (distance) P-C4' energy: -143.757 flat angles C4'-P-C4' energy: -174.952 flat angles P-C4'-P energy: -101.573 tors. eta vs tors. theta energy: -244.044 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: 2 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2462.304549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.304549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.304549 (E_RNA) where: Base-Base interactions energy: -1672.677 where: short stacking energy: -723.842 Base-Backbone interact. energy: -1.199 local terms energy: -788.428896 where: bonds (distance) C4'-P energy: -157.117 bonds (distance) P-C4' energy: -138.335 flat angles C4'-P-C4' energy: -169.326 flat angles P-C4'-P energy: -106.287 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: 7 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2388.002030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.002030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.002030 (E_RNA) where: Base-Base interactions energy: -1660.329 where: short stacking energy: -691.051 Base-Backbone interact. energy: -0.189 local terms energy: -727.483449 where: bonds (distance) C4'-P energy: -128.189 bonds (distance) P-C4' energy: -138.853 flat angles C4'-P-C4' energy: -158.606 flat angles P-C4'-P energy: -111.652 tors. eta vs tors. theta energy: -190.184 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: 4 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2184.313608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.313608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.313608 (E_RNA) where: Base-Base interactions energy: -1520.608 where: short stacking energy: -625.143 Base-Backbone interact. energy: 0.763 local terms energy: -664.468673 where: bonds (distance) C4'-P energy: -127.224 bonds (distance) P-C4' energy: -134.884 flat angles C4'-P-C4' energy: -153.771 flat angles P-C4'-P energy: -79.425 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: 5, replica: 9 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2088.602089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.602089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.602089 (E_RNA) where: Base-Base interactions energy: -1419.832 where: short stacking energy: -621.121 Base-Backbone interact. energy: -0.236 local terms energy: -668.534695 where: bonds (distance) C4'-P energy: -125.018 bonds (distance) P-C4' energy: -139.533 flat angles C4'-P-C4' energy: -152.244 flat angles P-C4'-P energy: -83.581 tors. eta vs tors. theta energy: -168.159 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: 8 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1841.380542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.380542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.380542 (E_RNA) where: Base-Base interactions energy: -1207.319 where: short stacking energy: -517.333 Base-Backbone interact. energy: 5.726 local terms energy: -639.787640 where: bonds (distance) C4'-P energy: -141.773 bonds (distance) P-C4' energy: -141.203 flat angles C4'-P-C4' energy: -137.113 flat angles P-C4'-P energy: -89.086 tors. eta vs tors. theta energy: -130.614 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: 6 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1734.067598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.067598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.067598 (E_RNA) where: Base-Base interactions energy: -1132.582 where: short stacking energy: -488.952 Base-Backbone interact. energy: 2.279 local terms energy: -603.764277 where: bonds (distance) C4'-P energy: -118.205 bonds (distance) P-C4' energy: -139.749 flat angles C4'-P-C4' energy: -137.972 flat angles P-C4'-P energy: -82.711 tors. eta vs tors. theta energy: -125.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1343.792990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.792990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.792990 (E_RNA) where: Base-Base interactions energy: -852.392 where: short stacking energy: -394.440 Base-Backbone interact. energy: -0.350 local terms energy: -491.051448 where: bonds (distance) C4'-P energy: -112.666 bonds (distance) P-C4' energy: -108.806 flat angles C4'-P-C4' energy: -128.931 flat angles P-C4'-P energy: -59.421 tors. eta vs tors. theta energy: -81.227 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: 327 Temperature: 1.300000 Total energy: -1236.503792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.503792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.503792 (E_RNA) where: Base-Base interactions energy: -774.117 where: short stacking energy: -389.285 Base-Backbone interact. energy: 2.179 local terms energy: -464.565085 where: bonds (distance) C4'-P energy: -106.347 bonds (distance) P-C4' energy: -124.022 flat angles C4'-P-C4' energy: -109.164 flat angles P-C4'-P energy: -81.794 tors. eta vs tors. theta energy: -43.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -849.938570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.938570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.938570 (E_RNA) where: Base-Base interactions energy: -447.376 where: short stacking energy: -234.935 Base-Backbone interact. energy: -0.886 local terms energy: -401.677203 where: bonds (distance) C4'-P energy: -95.490 bonds (distance) P-C4' energy: -123.966 flat angles C4'-P-C4' energy: -119.488 flat angles P-C4'-P energy: -71.751 tors. eta vs tors. theta energy: 9.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -2649.252128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.252128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.252128 (E_RNA) where: Base-Base interactions energy: -1801.874 where: short stacking energy: -783.315 Base-Backbone interact. energy: -1.269 local terms energy: -846.109674 where: bonds (distance) C4'-P energy: -149.852 bonds (distance) P-C4' energy: -157.976 flat angles C4'-P-C4' energy: -170.744 flat angles P-C4'-P energy: -125.168 tors. eta vs tors. theta energy: -242.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2484.096140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.096140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.096140 (E_RNA) where: Base-Base interactions energy: -1701.393 where: short stacking energy: -723.314 Base-Backbone interact. energy: -1.663 local terms energy: -781.039958 where: bonds (distance) C4'-P energy: -153.076 bonds (distance) P-C4' energy: -133.548 flat angles C4'-P-C4' energy: -158.764 flat angles P-C4'-P energy: -125.656 tors. eta vs tors. theta energy: -209.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2356.571195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.571195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.571195 (E_RNA) where: Base-Base interactions energy: -1630.393 where: short stacking energy: -693.256 Base-Backbone interact. energy: -4.603 local terms energy: -721.574455 where: bonds (distance) C4'-P energy: -140.271 bonds (distance) P-C4' energy: -123.774 flat angles C4'-P-C4' energy: -154.586 flat angles P-C4'-P energy: -110.241 tors. eta vs tors. theta energy: -192.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2220.659547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.659547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.659547 (E_RNA) where: Base-Base interactions energy: -1518.800 where: short stacking energy: -636.856 Base-Backbone interact. energy: -2.264 local terms energy: -699.595080 where: bonds (distance) C4'-P energy: -151.171 bonds (distance) P-C4' energy: -152.422 flat angles C4'-P-C4' energy: -164.714 flat angles P-C4'-P energy: -73.026 tors. eta vs tors. theta energy: -158.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2109.700046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.700046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.700046 (E_RNA) where: Base-Base interactions energy: -1411.802 where: short stacking energy: -629.142 Base-Backbone interact. energy: -1.201 local terms energy: -696.697129 where: bonds (distance) C4'-P energy: -112.204 bonds (distance) P-C4' energy: -149.038 flat angles C4'-P-C4' energy: -151.267 flat angles P-C4'-P energy: -112.789 tors. eta vs tors. theta energy: -171.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1931.868047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.868047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.868047 (E_RNA) where: Base-Base interactions energy: -1305.501 where: short stacking energy: -561.795 Base-Backbone interact. energy: -5.676 local terms energy: -620.690751 where: bonds (distance) C4'-P energy: -123.147 bonds (distance) P-C4' energy: -141.862 flat angles C4'-P-C4' energy: -143.663 flat angles P-C4'-P energy: -81.232 tors. eta vs tors. theta energy: -130.787 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: 7, replica: 6 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1657.338620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.338620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.338620 (E_RNA) where: Base-Base interactions energy: -1102.057 where: short stacking energy: -474.989 Base-Backbone interact. energy: 1.845 local terms energy: -557.127161 where: bonds (distance) C4'-P energy: -130.165 bonds (distance) P-C4' energy: -134.295 flat angles C4'-P-C4' energy: -129.560 flat angles P-C4'-P energy: -63.581 tors. eta vs tors. theta energy: -99.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1399.074960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.074960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.074960 (E_RNA) where: Base-Base interactions energy: -870.917 where: short stacking energy: -431.498 Base-Backbone interact. energy: -1.369 local terms energy: -526.788693 where: bonds (distance) C4'-P energy: -126.902 bonds (distance) P-C4' energy: -132.173 flat angles C4'-P-C4' energy: -100.667 flat angles P-C4'-P energy: -81.629 tors. eta vs tors. theta energy: -85.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -1213.002001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.002001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.002001 (E_RNA) where: Base-Base interactions energy: -737.286 where: short stacking energy: -350.075 Base-Backbone interact. energy: -1.395 local terms energy: -474.321479 where: bonds (distance) C4'-P energy: -92.130 bonds (distance) P-C4' energy: -109.810 flat angles C4'-P-C4' energy: -128.625 flat angles P-C4'-P energy: -80.307 tors. eta vs tors. theta energy: -63.448 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: 1 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -911.432023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.432023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.432023 (E_RNA) where: Base-Base interactions energy: -505.104 where: short stacking energy: -271.230 Base-Backbone interact. energy: -0.689 local terms energy: -405.639734 where: bonds (distance) C4'-P energy: -96.743 bonds (distance) P-C4' energy: -117.163 flat angles C4'-P-C4' energy: -119.523 flat angles P-C4'-P energy: -56.815 tors. eta vs tors. theta energy: -15.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2567.699234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.699234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.699234 (E_RNA) where: Base-Base interactions energy: -1773.585 where: short stacking energy: -764.678 Base-Backbone interact. energy: 3.444 local terms energy: -797.558358 where: bonds (distance) C4'-P energy: -150.154 bonds (distance) P-C4' energy: -139.197 flat angles C4'-P-C4' energy: -181.296 flat angles P-C4'-P energy: -108.420 tors. eta vs tors. theta energy: -218.492 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: 2, replica: 2 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2478.247705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.247705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.247705 (E_RNA) where: Base-Base interactions energy: -1712.478 where: short stacking energy: -743.029 Base-Backbone interact. energy: -1.693 local terms energy: -764.077386 where: bonds (distance) C4'-P energy: -138.443 bonds (distance) P-C4' energy: -145.812 flat angles C4'-P-C4' energy: -161.322 flat angles P-C4'-P energy: -99.811 tors. eta vs tors. theta energy: -218.690 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: 329 Temperature: 1.000000 Total energy: -2359.677453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.677453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.677453 (E_RNA) where: Base-Base interactions energy: -1616.918 where: short stacking energy: -675.738 Base-Backbone interact. energy: -2.301 local terms energy: -740.457852 where: bonds (distance) C4'-P energy: -147.764 bonds (distance) P-C4' energy: -142.215 flat angles C4'-P-C4' energy: -160.389 flat angles P-C4'-P energy: -111.413 tors. eta vs tors. theta energy: -178.677 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: 4 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2194.735586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.735586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.735586 (E_RNA) where: Base-Base interactions energy: -1485.377 where: short stacking energy: -625.395 Base-Backbone interact. energy: 0.589 local terms energy: -709.947544 where: bonds (distance) C4'-P energy: -127.388 bonds (distance) P-C4' energy: -149.091 flat angles C4'-P-C4' energy: -163.853 flat angles P-C4'-P energy: -92.684 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: 5, replica: 9 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2113.234455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.234455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.234455 (E_RNA) where: Base-Base interactions energy: -1447.568 where: short stacking energy: -618.043 Base-Backbone interact. energy: -0.993 local terms energy: -664.673096 where: bonds (distance) C4'-P energy: -112.502 bonds (distance) P-C4' energy: -146.158 flat angles C4'-P-C4' energy: -137.137 flat angles P-C4'-P energy: -97.994 tors. eta vs tors. theta energy: -170.881 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: 8 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1942.571643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.571643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.571643 (E_RNA) where: Base-Base interactions energy: -1324.833 where: short stacking energy: -554.870 Base-Backbone interact. energy: -3.584 local terms energy: -614.155290 where: bonds (distance) C4'-P energy: -111.482 bonds (distance) P-C4' energy: -138.810 flat angles C4'-P-C4' energy: -141.056 flat angles P-C4'-P energy: -88.889 tors. eta vs tors. theta energy: -133.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1624.842989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.842989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.842989 (E_RNA) where: Base-Base interactions energy: -1059.904 where: short stacking energy: -475.895 Base-Backbone interact. energy: -2.919 local terms energy: -562.019776 where: bonds (distance) C4'-P energy: -113.848 bonds (distance) P-C4' energy: -128.984 flat angles C4'-P-C4' energy: -132.850 flat angles P-C4'-P energy: -86.929 tors. eta vs tors. theta energy: -99.409 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: 5 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1433.565563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.565563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.565563 (E_RNA) where: Base-Base interactions energy: -914.308 where: short stacking energy: -414.641 Base-Backbone interact. energy: -1.023 local terms energy: -518.234277 where: bonds (distance) C4'-P energy: -128.620 bonds (distance) P-C4' energy: -116.119 flat angles C4'-P-C4' energy: -115.219 flat angles P-C4'-P energy: -73.414 tors. eta vs tors. theta energy: -84.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -1208.589790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.589790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.589790 (E_RNA) where: Base-Base interactions energy: -705.665 where: short stacking energy: -361.365 Base-Backbone interact. energy: 2.881 local terms energy: -505.805717 where: bonds (distance) C4'-P energy: -123.130 bonds (distance) P-C4' energy: -114.071 flat angles C4'-P-C4' energy: -113.285 flat angles P-C4'-P energy: -90.619 tors. eta vs tors. theta energy: -64.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -921.209499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.209499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.209499 (E_RNA) where: Base-Base interactions energy: -507.274 where: short stacking energy: -275.174 Base-Backbone interact. energy: 3.449 local terms energy: -417.384992 where: bonds (distance) C4'-P energy: -133.273 bonds (distance) P-C4' energy: -102.626 flat angles C4'-P-C4' energy: -119.943 flat angles P-C4'-P energy: -53.249 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: 1, replica: 3 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -2640.167862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.167862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.167862 (E_RNA) where: Base-Base interactions energy: -1793.118 where: short stacking energy: -788.233 Base-Backbone interact. energy: -5.765 local terms energy: -841.285116 where: bonds (distance) C4'-P energy: -150.421 bonds (distance) P-C4' energy: -146.102 flat angles C4'-P-C4' energy: -175.510 flat angles P-C4'-P energy: -119.088 tors. eta vs tors. theta energy: -250.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2528.371372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.371372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.371372 (E_RNA) where: Base-Base interactions energy: -1741.206 where: short stacking energy: -742.074 Base-Backbone interact. energy: 1.385 local terms energy: -788.549761 where: bonds (distance) C4'-P energy: -147.726 bonds (distance) P-C4' energy: -153.645 flat angles C4'-P-C4' energy: -160.794 flat angles P-C4'-P energy: -106.084 tors. eta vs tors. theta energy: -220.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2358.205135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.205135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.205135 (E_RNA) where: Base-Base interactions energy: -1642.193 where: short stacking energy: -700.689 Base-Backbone interact. energy: -1.508 local terms energy: -714.504042 where: bonds (distance) C4'-P energy: -141.267 bonds (distance) P-C4' energy: -137.747 flat angles C4'-P-C4' energy: -153.736 flat angles P-C4'-P energy: -91.085 tors. eta vs tors. theta energy: -190.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2208.046843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.046843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.046843 (E_RNA) where: Base-Base interactions energy: -1520.776 where: short stacking energy: -647.935 Base-Backbone interact. energy: 6.024 local terms energy: -693.295338 where: bonds (distance) C4'-P energy: -124.087 bonds (distance) P-C4' energy: -133.789 flat angles C4'-P-C4' energy: -156.875 flat angles P-C4'-P energy: -117.845 tors. eta vs tors. theta energy: -160.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2106.208361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.208361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.208361 (E_RNA) where: Base-Base interactions energy: -1440.928 where: short stacking energy: -626.981 Base-Backbone interact. energy: -0.038 local terms energy: -665.243083 where: bonds (distance) C4'-P energy: -137.329 bonds (distance) P-C4' energy: -131.741 flat angles C4'-P-C4' energy: -134.857 flat angles P-C4'-P energy: -96.551 tors. eta vs tors. theta energy: -164.765 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: 8 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -2047.461809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.461809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.461809 (E_RNA) where: Base-Base interactions energy: -1434.428 where: short stacking energy: -577.243 Base-Backbone interact. energy: 1.335 local terms energy: -614.368729 where: bonds (distance) C4'-P energy: -117.651 bonds (distance) P-C4' energy: -141.460 flat angles C4'-P-C4' energy: -133.338 flat angles P-C4'-P energy: -90.745 tors. eta vs tors. theta energy: -131.175 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: 6 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1795.789932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.789932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.789932 (E_RNA) where: Base-Base interactions energy: -1175.168 where: short stacking energy: -499.228 Base-Backbone interact. energy: -2.019 local terms energy: -618.602500 where: bonds (distance) C4'-P energy: -125.468 bonds (distance) P-C4' energy: -154.931 flat angles C4'-P-C4' energy: -135.570 flat angles P-C4'-P energy: -84.519 tors. eta vs tors. theta energy: -118.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1364.691430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.691430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.691430 (E_RNA) where: Base-Base interactions energy: -840.588 where: short stacking energy: -397.916 Base-Backbone interact. energy: -2.933 local terms energy: -521.171096 where: bonds (distance) C4'-P energy: -122.583 bonds (distance) P-C4' energy: -138.538 flat angles C4'-P-C4' energy: -113.713 flat angles P-C4'-P energy: -63.129 tors. eta vs tors. theta energy: -83.208 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: 330 Temperature: 1.300000 Total energy: -1237.002104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.002104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.002104 (E_RNA) where: Base-Base interactions energy: -760.633 where: short stacking energy: -366.313 Base-Backbone interact. energy: 3.572 local terms energy: -479.940604 where: bonds (distance) C4'-P energy: -120.010 bonds (distance) P-C4' energy: -105.324 flat angles C4'-P-C4' energy: -125.483 flat angles P-C4'-P energy: -80.578 tors. eta vs tors. theta energy: -48.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -982.923589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.923589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.923589 (E_RNA) where: Base-Base interactions energy: -550.177 where: short stacking energy: -264.144 Base-Backbone interact. energy: -2.974 local terms energy: -429.772089 where: bonds (distance) C4'-P energy: -120.742 bonds (distance) P-C4' energy: -105.783 flat angles C4'-P-C4' energy: -124.251 flat angles P-C4'-P energy: -78.693 tors. eta vs tors. theta energy: -0.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -2622.381104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.381104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.381104 (E_RNA) where: Base-Base interactions energy: -1783.569 where: short stacking energy: -788.821 Base-Backbone interact. energy: -2.908 local terms energy: -836.166152 where: bonds (distance) C4'-P energy: -144.859 bonds (distance) P-C4' energy: -162.274 flat angles C4'-P-C4' energy: -176.050 flat angles P-C4'-P energy: -118.506 tors. eta vs tors. theta energy: -234.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.261 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2496.056958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.056958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.056958 (E_RNA) where: Base-Base interactions energy: -1712.696 where: short stacking energy: -736.529 Base-Backbone interact. energy: 2.770 local terms energy: -786.131280 where: bonds (distance) C4'-P energy: -126.498 bonds (distance) P-C4' energy: -162.100 flat angles C4'-P-C4' energy: -163.058 flat angles P-C4'-P energy: -109.648 tors. eta vs tors. theta energy: -224.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2356.173400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.173400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.173400 (E_RNA) where: Base-Base interactions energy: -1640.737 where: short stacking energy: -684.698 Base-Backbone interact. energy: -5.948 local terms energy: -709.488972 where: bonds (distance) C4'-P energy: -126.881 bonds (distance) P-C4' energy: -133.519 flat angles C4'-P-C4' energy: -168.152 flat angles P-C4'-P energy: -101.557 tors. eta vs tors. theta energy: -179.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2153.216740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.216740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.216740 (E_RNA) where: Base-Base interactions energy: -1460.752 where: short stacking energy: -625.436 Base-Backbone interact. energy: 1.673 local terms energy: -694.137548 where: bonds (distance) C4'-P energy: -129.952 bonds (distance) P-C4' energy: -154.448 flat angles C4'-P-C4' energy: -149.338 flat angles P-C4'-P energy: -90.413 tors. eta vs tors. theta energy: -169.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2102.758781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.758781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.758781 (E_RNA) where: Base-Base interactions energy: -1432.438 where: short stacking energy: -627.774 Base-Backbone interact. energy: 0.807 local terms energy: -671.128293 where: bonds (distance) C4'-P energy: -129.614 bonds (distance) P-C4' energy: -119.598 flat angles C4'-P-C4' energy: -142.245 flat angles P-C4'-P energy: -93.810 tors. eta vs tors. theta energy: -185.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -2028.643935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.643935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.643935 (E_RNA) where: Base-Base interactions energy: -1398.412 where: short stacking energy: -576.762 Base-Backbone interact. energy: -0.525 local terms energy: -629.707290 where: bonds (distance) C4'-P energy: -120.501 bonds (distance) P-C4' energy: -135.178 flat angles C4'-P-C4' energy: -144.242 flat angles P-C4'-P energy: -83.393 tors. eta vs tors. theta energy: -146.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1728.323580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.323580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.323580 (E_RNA) where: Base-Base interactions energy: -1140.040 where: short stacking energy: -474.846 Base-Backbone interact. energy: -0.490 local terms energy: -587.793298 where: bonds (distance) C4'-P energy: -118.370 bonds (distance) P-C4' energy: -127.610 flat angles C4'-P-C4' energy: -136.585 flat angles P-C4'-P energy: -92.606 tors. eta vs tors. theta energy: -112.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1375.319660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.319660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.319660 (E_RNA) where: Base-Base interactions energy: -844.290 where: short stacking energy: -410.692 Base-Backbone interact. energy: -2.868 local terms energy: -528.161437 where: bonds (distance) C4'-P energy: -122.495 bonds (distance) P-C4' energy: -125.986 flat angles C4'-P-C4' energy: -131.459 flat angles P-C4'-P energy: -72.403 tors. eta vs tors. theta energy: -75.819 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: 331 Temperature: 1.300000 Total energy: -1172.047949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.047949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.047949 (E_RNA) where: Base-Base interactions energy: -699.926 where: short stacking energy: -321.640 Base-Backbone interact. energy: 0.977 local terms energy: -473.098383 where: bonds (distance) C4'-P energy: -129.914 bonds (distance) P-C4' energy: -110.897 flat angles C4'-P-C4' energy: -132.793 flat angles P-C4'-P energy: -57.106 tors. eta vs tors. theta energy: -42.388 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: 1 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -860.566574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.566574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.566574 (E_RNA) where: Base-Base interactions energy: -454.858 where: short stacking energy: -256.436 Base-Backbone interact. energy: 2.445 local terms energy: -408.153932 where: bonds (distance) C4'-P energy: -105.120 bonds (distance) P-C4' energy: -127.536 flat angles C4'-P-C4' energy: -106.255 flat angles P-C4'-P energy: -60.560 tors. eta vs tors. theta energy: -8.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -2598.774788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.774788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.774788 (E_RNA) where: Base-Base interactions energy: -1784.169 where: short stacking energy: -778.264 Base-Backbone interact. energy: -4.245 local terms energy: -810.361269 where: bonds (distance) C4'-P energy: -143.562 bonds (distance) P-C4' energy: -144.969 flat angles C4'-P-C4' energy: -166.284 flat angles P-C4'-P energy: -119.348 tors. eta vs tors. theta energy: -236.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2454.360627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.360627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.360627 (E_RNA) where: Base-Base interactions energy: -1675.883 where: short stacking energy: -697.702 Base-Backbone interact. energy: -1.719 local terms energy: -776.759352 where: bonds (distance) C4'-P energy: -142.170 bonds (distance) P-C4' energy: -150.194 flat angles C4'-P-C4' energy: -166.067 flat angles P-C4'-P energy: -105.153 tors. eta vs tors. theta energy: -213.175 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: 3, replica: 7 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2371.431146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.431146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.431146 (E_RNA) where: Base-Base interactions energy: -1648.212 where: short stacking energy: -705.780 Base-Backbone interact. energy: -3.116 local terms energy: -720.103132 where: bonds (distance) C4'-P energy: -133.798 bonds (distance) P-C4' energy: -140.963 flat angles C4'-P-C4' energy: -151.602 flat angles P-C4'-P energy: -114.237 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: 4, replica: 4 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2175.945092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.945092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.945092 (E_RNA) where: Base-Base interactions energy: -1499.221 where: short stacking energy: -627.468 Base-Backbone interact. energy: 2.264 local terms energy: -678.988305 where: bonds (distance) C4'-P energy: -131.222 bonds (distance) P-C4' energy: -141.802 flat angles C4'-P-C4' energy: -131.721 flat angles P-C4'-P energy: -94.693 tors. eta vs tors. theta energy: -179.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2121.640539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.640539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.640539 (E_RNA) where: Base-Base interactions energy: -1443.506 where: short stacking energy: -630.088 Base-Backbone interact. energy: -3.062 local terms energy: -675.072321 where: bonds (distance) C4'-P energy: -132.346 bonds (distance) P-C4' energy: -135.716 flat angles C4'-P-C4' energy: -138.546 flat angles P-C4'-P energy: -91.839 tors. eta vs tors. theta energy: -176.626 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: 332 Temperature: 1.150000 Total energy: -2021.522385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.522385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.522385 (E_RNA) where: Base-Base interactions energy: -1387.705 where: short stacking energy: -586.614 Base-Backbone interact. energy: -1.438 local terms energy: -632.379778 where: bonds (distance) C4'-P energy: -118.187 bonds (distance) P-C4' energy: -128.661 flat angles C4'-P-C4' energy: -154.262 flat angles P-C4'-P energy: -83.519 tors. eta vs tors. theta energy: -147.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1601.899877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.899877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.899877 (E_RNA) where: Base-Base interactions energy: -1077.577 where: short stacking energy: -435.801 Base-Backbone interact. energy: -0.556 local terms energy: -523.766924 where: bonds (distance) C4'-P energy: -119.730 bonds (distance) P-C4' energy: -111.771 flat angles C4'-P-C4' energy: -119.393 flat angles P-C4'-P energy: -72.221 tors. eta vs tors. theta energy: -100.651 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: 8, replica: 5 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1359.974569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.974569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.974569 (E_RNA) where: Base-Base interactions energy: -836.900 where: short stacking energy: -394.367 Base-Backbone interact. energy: 1.080 local terms energy: -524.154012 where: bonds (distance) C4'-P energy: -112.527 bonds (distance) P-C4' energy: -146.350 flat angles C4'-P-C4' energy: -116.019 flat angles P-C4'-P energy: -80.974 tors. eta vs tors. theta energy: -68.284 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: 10 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -1190.700404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.700404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.700404 (E_RNA) where: Base-Base interactions energy: -761.103 where: short stacking energy: -333.831 Base-Backbone interact. energy: 2.857 local terms energy: -432.454030 where: bonds (distance) C4'-P energy: -119.251 bonds (distance) P-C4' energy: -111.613 flat angles C4'-P-C4' energy: -99.900 flat angles P-C4'-P energy: -54.543 tors. eta vs tors. theta energy: -47.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -860.301774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.301774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.301774 (E_RNA) where: Base-Base interactions energy: -466.152 where: short stacking energy: -260.786 Base-Backbone interact. energy: 4.296 local terms energy: -398.445352 where: bonds (distance) C4'-P energy: -123.043 bonds (distance) P-C4' energy: -91.613 flat angles C4'-P-C4' energy: -95.487 flat angles P-C4'-P energy: -85.494 tors. eta vs tors. theta energy: -2.809 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: 3 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -2604.600488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.600488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.600488 (E_RNA) where: Base-Base interactions energy: -1798.069 where: short stacking energy: -794.083 Base-Backbone interact. energy: -2.178 local terms energy: -804.354354 where: bonds (distance) C4'-P energy: -151.039 bonds (distance) P-C4' energy: -142.619 flat angles C4'-P-C4' energy: -152.472 flat angles P-C4'-P energy: -110.768 tors. eta vs tors. theta energy: -247.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2493.325548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.325548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.325548 (E_RNA) where: Base-Base interactions energy: -1703.133 where: short stacking energy: -759.606 Base-Backbone interact. energy: -4.277 local terms energy: -785.915700 where: bonds (distance) C4'-P energy: -137.464 bonds (distance) P-C4' energy: -152.651 flat angles C4'-P-C4' energy: -160.415 flat angles P-C4'-P energy: -105.847 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: 7 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2364.212118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.212118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.212118 (E_RNA) where: Base-Base interactions energy: -1644.591 where: short stacking energy: -698.092 Base-Backbone interact. energy: -1.618 local terms energy: -718.003372 where: bonds (distance) C4'-P energy: -127.932 bonds (distance) P-C4' energy: -130.284 flat angles C4'-P-C4' energy: -168.081 flat angles P-C4'-P energy: -102.625 tors. eta vs tors. theta energy: -189.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2212.172183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.172183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.172183 (E_RNA) where: Base-Base interactions energy: -1490.460 where: short stacking energy: -650.959 Base-Backbone interact. energy: 2.117 local terms energy: -723.828831 where: bonds (distance) C4'-P energy: -124.057 bonds (distance) P-C4' energy: -135.007 flat angles C4'-P-C4' energy: -159.099 flat angles P-C4'-P energy: -107.872 tors. eta vs tors. theta energy: -197.793 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: 5, replica: 4 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2088.801093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.801093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.801093 (E_RNA) where: Base-Base interactions energy: -1422.983 where: short stacking energy: -601.008 Base-Backbone interact. energy: -4.923 local terms energy: -660.894687 where: bonds (distance) C4'-P energy: -130.185 bonds (distance) P-C4' energy: -134.912 flat angles C4'-P-C4' energy: -160.237 flat angles P-C4'-P energy: -74.405 tors. eta vs tors. theta energy: -161.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1994.156702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.156702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.156702 (E_RNA) where: Base-Base interactions energy: -1343.769 where: short stacking energy: -567.889 Base-Backbone interact. energy: -5.207 local terms energy: -645.181044 where: bonds (distance) C4'-P energy: -116.907 bonds (distance) P-C4' energy: -130.247 flat angles C4'-P-C4' energy: -155.956 flat angles P-C4'-P energy: -95.742 tors. eta vs tors. theta energy: -146.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1617.351220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.351220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.351220 (E_RNA) where: Base-Base interactions energy: -1067.450 where: short stacking energy: -470.973 Base-Backbone interact. energy: 2.163 local terms energy: -552.063820 where: bonds (distance) C4'-P energy: -127.233 bonds (distance) P-C4' energy: -123.331 flat angles C4'-P-C4' energy: -135.704 flat angles P-C4'-P energy: -72.903 tors. eta vs tors. theta energy: -92.894 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: 5 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1297.347794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.347794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.347794 (E_RNA) where: Base-Base interactions energy: -798.633 where: short stacking energy: -409.657 Base-Backbone interact. energy: -3.409 local terms energy: -495.304878 where: bonds (distance) C4'-P energy: -113.683 bonds (distance) P-C4' energy: -125.881 flat angles C4'-P-C4' energy: -129.925 flat angles P-C4'-P energy: -61.632 tors. eta vs tors. theta energy: -64.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -1277.991429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.991429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.991429 (E_RNA) where: Base-Base interactions energy: -770.164 where: short stacking energy: -363.652 Base-Backbone interact. energy: 3.093 local terms energy: -510.920217 where: bonds (distance) C4'-P energy: -111.629 bonds (distance) P-C4' energy: -128.705 flat angles C4'-P-C4' energy: -118.270 flat angles P-C4'-P energy: -85.228 tors. eta vs tors. theta energy: -67.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -816.651777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.651777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.651777 (E_RNA) where: Base-Base interactions energy: -428.403 where: short stacking energy: -220.766 Base-Backbone interact. energy: 3.544 local terms energy: -391.793452 where: bonds (distance) C4'-P energy: -108.439 bonds (distance) P-C4' energy: -118.297 flat angles C4'-P-C4' energy: -116.517 flat angles P-C4'-P energy: -60.095 tors. eta vs tors. theta energy: 11.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -2606.756091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.756091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.756091 (E_RNA) where: Base-Base interactions energy: -1778.144 where: short stacking energy: -771.031 Base-Backbone interact. energy: -1.056 local terms energy: -827.555799 where: bonds (distance) C4'-P energy: -145.348 bonds (distance) P-C4' energy: -144.719 flat angles C4'-P-C4' energy: -171.806 flat angles P-C4'-P energy: -120.117 tors. eta vs tors. theta energy: -245.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2524.747231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.747231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.747231 (E_RNA) where: Base-Base interactions energy: -1710.337 where: short stacking energy: -737.156 Base-Backbone interact. energy: 0.817 local terms energy: -815.227358 where: bonds (distance) C4'-P energy: -143.687 bonds (distance) P-C4' energy: -158.870 flat angles C4'-P-C4' energy: -173.254 flat angles P-C4'-P energy: -114.026 tors. eta vs tors. theta energy: -225.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2368.684249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.684249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.684249 (E_RNA) where: Base-Base interactions energy: -1624.992 where: short stacking energy: -694.140 Base-Backbone interact. energy: -3.129 local terms energy: -740.563319 where: bonds (distance) C4'-P energy: -142.639 bonds (distance) P-C4' energy: -145.018 flat angles C4'-P-C4' energy: -164.206 flat angles P-C4'-P energy: -98.741 tors. eta vs tors. theta energy: -189.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2204.410377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.410377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.410377 (E_RNA) where: Base-Base interactions energy: -1513.950 where: short stacking energy: -659.192 Base-Backbone interact. energy: -0.407 local terms energy: -690.052802 where: bonds (distance) C4'-P energy: -133.568 bonds (distance) P-C4' energy: -126.976 flat angles C4'-P-C4' energy: -148.726 flat angles P-C4'-P energy: -107.274 tors. eta vs tors. theta energy: -173.509 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: 5, replica: 8 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2052.527507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.527507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.527507 (E_RNA) where: Base-Base interactions energy: -1381.323 where: short stacking energy: -557.110 Base-Backbone interact. energy: -1.028 local terms energy: -670.176258 where: bonds (distance) C4'-P energy: -128.864 bonds (distance) P-C4' energy: -134.173 flat angles C4'-P-C4' energy: -158.963 flat angles P-C4'-P energy: -108.712 tors. eta vs tors. theta energy: -139.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1990.123812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.123812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.123812 (E_RNA) where: Base-Base interactions energy: -1356.787 where: short stacking energy: -566.516 Base-Backbone interact. energy: 1.020 local terms energy: -634.356663 where: bonds (distance) C4'-P energy: -119.903 bonds (distance) P-C4' energy: -133.845 flat angles C4'-P-C4' energy: -150.354 flat angles P-C4'-P energy: -81.897 tors. eta vs tors. theta energy: -148.358 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: 6 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1634.345217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.345217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.345217 (E_RNA) where: Base-Base interactions energy: -1072.174 where: short stacking energy: -486.667 Base-Backbone interact. energy: 1.077 local terms energy: -563.248447 where: bonds (distance) C4'-P energy: -129.954 bonds (distance) P-C4' energy: -125.665 flat angles C4'-P-C4' energy: -133.293 flat angles P-C4'-P energy: -58.203 tors. eta vs tors. theta energy: -116.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1295.253482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.253482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.253482 (E_RNA) where: Base-Base interactions energy: -783.982 where: short stacking energy: -368.220 Base-Backbone interact. energy: -3.509 local terms energy: -507.762585 where: bonds (distance) C4'-P energy: -129.211 bonds (distance) P-C4' energy: -141.921 flat angles C4'-P-C4' energy: -114.950 flat angles P-C4'-P energy: -70.277 tors. eta vs tors. theta energy: -51.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -1210.771481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.771481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.771481 (E_RNA) where: Base-Base interactions energy: -726.442 where: short stacking energy: -345.587 Base-Backbone interact. energy: -3.667 local terms energy: -480.662978 where: bonds (distance) C4'-P energy: -125.915 bonds (distance) P-C4' energy: -138.462 flat angles C4'-P-C4' energy: -120.984 flat angles P-C4'-P energy: -56.608 tors. eta vs tors. theta energy: -38.693 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: 10, replica: 1 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -857.368476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.368476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.368476 (E_RNA) where: Base-Base interactions energy: -450.499 where: short stacking energy: -232.881 Base-Backbone interact. energy: 3.282 local terms energy: -410.151700 where: bonds (distance) C4'-P energy: -118.984 bonds (distance) P-C4' energy: -115.009 flat angles C4'-P-C4' energy: -117.334 flat angles P-C4'-P energy: -57.556 tors. eta vs tors. theta energy: -1.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2587.733932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.733932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.733932 (E_RNA) where: Base-Base interactions energy: -1756.971 where: short stacking energy: -781.868 Base-Backbone interact. energy: -2.976 local terms energy: -827.786946 where: bonds (distance) C4'-P energy: -138.677 bonds (distance) P-C4' energy: -154.269 flat angles C4'-P-C4' energy: -166.821 flat angles P-C4'-P energy: -119.042 tors. eta vs tors. theta energy: -248.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2503.695671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.695671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.695671 (E_RNA) where: Base-Base interactions energy: -1720.589 where: short stacking energy: -757.080 Base-Backbone interact. energy: -1.806 local terms energy: -781.301247 where: bonds (distance) C4'-P energy: -130.374 bonds (distance) P-C4' energy: -151.565 flat angles C4'-P-C4' energy: -163.753 flat angles P-C4'-P energy: -109.462 tors. eta vs tors. theta energy: -226.148 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: 3, replica: 7 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2371.246600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.246600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.246600 (E_RNA) where: Base-Base interactions energy: -1645.411 where: short stacking energy: -703.267 Base-Backbone interact. energy: -0.448 local terms energy: -725.387861 where: bonds (distance) C4'-P energy: -126.939 bonds (distance) P-C4' energy: -147.540 flat angles C4'-P-C4' energy: -155.752 flat angles P-C4'-P energy: -109.323 tors. eta vs tors. theta energy: -185.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2247.294186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.294186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.294186 (E_RNA) where: Base-Base interactions energy: -1543.651 where: short stacking energy: -665.486 Base-Backbone interact. energy: -1.223 local terms energy: -702.420530 where: bonds (distance) C4'-P energy: -136.815 bonds (distance) P-C4' energy: -133.592 flat angles C4'-P-C4' energy: -151.905 flat angles P-C4'-P energy: -91.027 tors. eta vs tors. theta energy: -189.082 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: 8 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -2019.486847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.486847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.486847 (E_RNA) where: Base-Base interactions energy: -1387.707 where: short stacking energy: -573.080 Base-Backbone interact. energy: -2.904 local terms energy: -628.875570 where: bonds (distance) C4'-P energy: -118.131 bonds (distance) P-C4' energy: -120.540 flat angles C4'-P-C4' energy: -140.980 flat angles P-C4'-P energy: -98.141 tors. eta vs tors. theta energy: -151.083 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: 6, replica: 4 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1961.676343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.676343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.676343 (E_RNA) where: Base-Base interactions energy: -1323.616 where: short stacking energy: -553.756 Base-Backbone interact. energy: -1.180 local terms energy: -636.880678 where: bonds (distance) C4'-P energy: -121.471 bonds (distance) P-C4' energy: -128.934 flat angles C4'-P-C4' energy: -142.631 flat angles P-C4'-P energy: -93.075 tors. eta vs tors. theta energy: -150.769 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: 7, replica: 6 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1559.228961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.228961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.228961 (E_RNA) where: Base-Base interactions energy: -997.816 where: short stacking energy: -420.694 Base-Backbone interact. energy: -1.368 local terms energy: -560.044819 where: bonds (distance) C4'-P energy: -131.707 bonds (distance) P-C4' energy: -129.520 flat angles C4'-P-C4' energy: -111.593 flat angles P-C4'-P energy: -86.337 tors. eta vs tors. theta energy: -100.888 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: 5 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1335.810588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.810588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.810588 (E_RNA) where: Base-Base interactions energy: -794.261 where: short stacking energy: -395.002 Base-Backbone interact. energy: -0.572 local terms energy: -540.978318 where: bonds (distance) C4'-P energy: -114.869 bonds (distance) P-C4' energy: -142.917 flat angles C4'-P-C4' energy: -119.226 flat angles P-C4'-P energy: -86.864 tors. eta vs tors. theta energy: -77.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -1135.224620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.224620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.224620 (E_RNA) where: Base-Base interactions energy: -647.078 where: short stacking energy: -308.626 Base-Backbone interact. energy: -3.332 local terms energy: -484.814818 where: bonds (distance) C4'-P energy: -111.924 bonds (distance) P-C4' energy: -131.018 flat angles C4'-P-C4' energy: -127.135 flat angles P-C4'-P energy: -78.709 tors. eta vs tors. theta energy: -36.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -841.310014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.310014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.310014 (E_RNA) where: Base-Base interactions energy: -474.422 where: short stacking energy: -262.234 Base-Backbone interact. energy: 2.448 local terms energy: -369.336142 where: bonds (distance) C4'-P energy: -104.145 bonds (distance) P-C4' energy: -134.109 flat angles C4'-P-C4' energy: -96.002 flat angles P-C4'-P energy: -36.320 tors. eta vs tors. theta energy: 1.240 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: 3 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -2608.987306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.987306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.987306 (E_RNA) where: Base-Base interactions energy: -1787.685 where: short stacking energy: -771.249 Base-Backbone interact. energy: -3.094 local terms energy: -818.208168 where: bonds (distance) C4'-P energy: -144.927 bonds (distance) P-C4' energy: -154.781 flat angles C4'-P-C4' energy: -170.296 flat angles P-C4'-P energy: -114.524 tors. eta vs tors. theta energy: -233.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2472.164080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.164080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.164080 (E_RNA) where: Base-Base interactions energy: -1673.711 where: short stacking energy: -715.373 Base-Backbone interact. energy: -3.940 local terms energy: -794.512580 where: bonds (distance) C4'-P energy: -145.187 bonds (distance) P-C4' energy: -147.770 flat angles C4'-P-C4' energy: -172.861 flat angles P-C4'-P energy: -114.066 tors. eta vs tors. theta energy: -214.628 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: 7 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2402.334887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.334887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.334887 (E_RNA) where: Base-Base interactions energy: -1660.392 where: short stacking energy: -705.168 Base-Backbone interact. energy: -0.463 local terms energy: -741.480237 where: bonds (distance) C4'-P energy: -131.977 bonds (distance) P-C4' energy: -142.741 flat angles C4'-P-C4' energy: -163.851 flat angles P-C4'-P energy: -109.437 tors. eta vs tors. theta energy: -193.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2208.988833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.988833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.988833 (E_RNA) where: Base-Base interactions energy: -1509.468 where: short stacking energy: -667.321 Base-Backbone interact. energy: -0.203 local terms energy: -699.317862 where: bonds (distance) C4'-P energy: -135.944 bonds (distance) P-C4' energy: -150.743 flat angles C4'-P-C4' energy: -151.576 flat angles P-C4'-P energy: -93.226 tors. eta vs tors. theta energy: -167.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2024.598759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.598759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.598759 (E_RNA) where: Base-Base interactions energy: -1377.397 where: short stacking energy: -598.432 Base-Backbone interact. energy: 1.042 local terms energy: -648.243844 where: bonds (distance) C4'-P energy: -121.102 bonds (distance) P-C4' energy: -136.643 flat angles C4'-P-C4' energy: -136.109 flat angles P-C4'-P energy: -103.242 tors. eta vs tors. theta energy: -151.148 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: 336 Temperature: 1.150000 Total energy: -2035.146559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.146559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.146559 (E_RNA) where: Base-Base interactions energy: -1392.520 where: short stacking energy: -552.104 Base-Backbone interact. energy: 1.563 local terms energy: -644.189005 where: bonds (distance) C4'-P energy: -121.657 bonds (distance) P-C4' energy: -131.968 flat angles C4'-P-C4' energy: -141.058 flat angles P-C4'-P energy: -96.061 tors. eta vs tors. theta energy: -153.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1576.109872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.109872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.109872 (E_RNA) where: Base-Base interactions energy: -977.040 where: short stacking energy: -419.104 Base-Backbone interact. energy: -1.997 local terms energy: -597.072811 where: bonds (distance) C4'-P energy: -125.371 bonds (distance) P-C4' energy: -140.789 flat angles C4'-P-C4' energy: -142.750 flat angles P-C4'-P energy: -96.917 tors. eta vs tors. theta energy: -91.246 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: 5 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1269.018447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.018447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.018447 (E_RNA) where: Base-Base interactions energy: -766.082 where: short stacking energy: -352.869 Base-Backbone interact. energy: 2.867 local terms energy: -505.803652 where: bonds (distance) C4'-P energy: -124.797 bonds (distance) P-C4' energy: -136.971 flat angles C4'-P-C4' energy: -116.185 flat angles P-C4'-P energy: -84.654 tors. eta vs tors. theta energy: -43.196 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: 336 Temperature: 1.300000 Total energy: -1125.920362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.920362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.920362 (E_RNA) where: Base-Base interactions energy: -661.964 where: short stacking energy: -313.258 Base-Backbone interact. energy: 0.427 local terms energy: -464.382392 where: bonds (distance) C4'-P energy: -126.380 bonds (distance) P-C4' energy: -124.897 flat angles C4'-P-C4' energy: -121.770 flat angles P-C4'-P energy: -47.795 tors. eta vs tors. theta energy: -43.541 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: 1 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -874.301135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.301135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.301135 (E_RNA) where: Base-Base interactions energy: -474.744 where: short stacking energy: -267.778 Base-Backbone interact. energy: -0.693 local terms energy: -398.864495 where: bonds (distance) C4'-P energy: -97.877 bonds (distance) P-C4' energy: -103.905 flat angles C4'-P-C4' energy: -117.602 flat angles P-C4'-P energy: -62.222 tors. eta vs tors. theta energy: -17.259 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: 1, replica: 3 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -2615.541177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.541177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.541177 (E_RNA) where: Base-Base interactions energy: -1815.227 where: short stacking energy: -749.434 Base-Backbone interact. energy: -2.346 local terms energy: -797.968030 where: bonds (distance) C4'-P energy: -137.661 bonds (distance) P-C4' energy: -153.684 flat angles C4'-P-C4' energy: -178.944 flat angles P-C4'-P energy: -101.215 tors. eta vs tors. theta energy: -226.464 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: 2 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2495.070980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.070980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.070980 (E_RNA) where: Base-Base interactions energy: -1694.235 where: short stacking energy: -714.997 Base-Backbone interact. energy: -1.398 local terms energy: -799.438301 where: bonds (distance) C4'-P energy: -146.563 bonds (distance) P-C4' energy: -152.087 flat angles C4'-P-C4' energy: -164.460 flat angles P-C4'-P energy: -114.853 tors. eta vs tors. theta energy: -221.475 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: 7 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2353.600367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.600367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.600367 (E_RNA) where: Base-Base interactions energy: -1628.439 where: short stacking energy: -690.187 Base-Backbone interact. energy: -0.705 local terms energy: -724.456631 where: bonds (distance) C4'-P energy: -146.572 bonds (distance) P-C4' energy: -140.156 flat angles C4'-P-C4' energy: -162.448 flat angles P-C4'-P energy: -97.191 tors. eta vs tors. theta energy: -178.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2222.024009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.024009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.024009 (E_RNA) where: Base-Base interactions energy: -1492.491 where: short stacking energy: -625.349 Base-Backbone interact. energy: -0.070 local terms energy: -729.462860 where: bonds (distance) C4'-P energy: -141.147 bonds (distance) P-C4' energy: -137.687 flat angles C4'-P-C4' energy: -153.458 flat angles P-C4'-P energy: -111.835 tors. eta vs tors. theta energy: -185.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2021.568593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.568593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.568593 (E_RNA) where: Base-Base interactions energy: -1382.055 where: short stacking energy: -582.133 Base-Backbone interact. energy: -2.096 local terms energy: -637.417633 where: bonds (distance) C4'-P energy: -139.495 bonds (distance) P-C4' energy: -116.457 flat angles C4'-P-C4' energy: -141.038 flat angles P-C4'-P energy: -94.188 tors. eta vs tors. theta energy: -146.240 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: 4 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -2056.474208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.474208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.474208 (E_RNA) where: Base-Base interactions energy: -1393.594 where: short stacking energy: -547.245 Base-Backbone interact. energy: -0.380 local terms energy: -662.499757 where: bonds (distance) C4'-P energy: -109.377 bonds (distance) P-C4' energy: -157.481 flat angles C4'-P-C4' energy: -147.385 flat angles P-C4'-P energy: -90.246 tors. eta vs tors. theta energy: -158.011 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: 7, replica: 6 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1629.063894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.063894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.063894 (E_RNA) where: Base-Base interactions energy: -1076.066 where: short stacking energy: -477.948 Base-Backbone interact. energy: -3.284 local terms energy: -549.714108 where: bonds (distance) C4'-P energy: -138.224 bonds (distance) P-C4' energy: -117.915 flat angles C4'-P-C4' energy: -102.877 flat angles P-C4'-P energy: -79.273 tors. eta vs tors. theta energy: -111.426 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: 5 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1326.304091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.304091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.304091 (E_RNA) where: Base-Base interactions energy: -786.903 where: short stacking energy: -359.383 Base-Backbone interact. energy: 0.389 local terms energy: -539.790448 where: bonds (distance) C4'-P energy: -127.182 bonds (distance) P-C4' energy: -138.394 flat angles C4'-P-C4' energy: -127.672 flat angles P-C4'-P energy: -83.041 tors. eta vs tors. theta energy: -63.501 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: 10 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -1161.808319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.808319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.808319 (E_RNA) where: Base-Base interactions energy: -696.196 where: short stacking energy: -354.597 Base-Backbone interact. energy: -2.386 local terms energy: -463.226206 where: bonds (distance) C4'-P energy: -106.665 bonds (distance) P-C4' energy: -146.430 flat angles C4'-P-C4' energy: -103.014 flat angles P-C4'-P energy: -66.316 tors. eta vs tors. theta energy: -40.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -904.767444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.767444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.767444 (E_RNA) where: Base-Base interactions energy: -450.377 where: short stacking energy: -238.695 Base-Backbone interact. energy: -1.000 local terms energy: -453.391065 where: bonds (distance) C4'-P energy: -118.107 bonds (distance) P-C4' energy: -124.010 flat angles C4'-P-C4' energy: -105.754 flat angles P-C4'-P energy: -88.452 tors. eta vs tors. theta energy: -17.069 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: 3 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2628.628895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.628895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.628895 (E_RNA) where: Base-Base interactions energy: -1799.111 where: short stacking energy: -754.472 Base-Backbone interact. energy: -2.546 local terms energy: -826.972082 where: bonds (distance) C4'-P energy: -160.430 bonds (distance) P-C4' energy: -161.185 flat angles C4'-P-C4' energy: -167.303 flat angles P-C4'-P energy: -112.182 tors. eta vs tors. theta energy: -225.873 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: 2, replica: 2 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2454.295539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.295539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.295539 (E_RNA) where: Base-Base interactions energy: -1694.239 where: short stacking energy: -695.102 Base-Backbone interact. energy: -3.221 local terms energy: -756.835280 where: bonds (distance) C4'-P energy: -129.244 bonds (distance) P-C4' energy: -156.245 flat angles C4'-P-C4' energy: -165.639 flat angles P-C4'-P energy: -95.309 tors. eta vs tors. theta energy: -210.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2291.080485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.080485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.080485 (E_RNA) where: Base-Base interactions energy: -1545.218 where: short stacking energy: -677.855 Base-Backbone interact. energy: -2.689 local terms energy: -743.173631 where: bonds (distance) C4'-P energy: -143.558 bonds (distance) P-C4' energy: -154.495 flat angles C4'-P-C4' energy: -169.278 flat angles P-C4'-P energy: -96.728 tors. eta vs tors. theta energy: -179.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2281.458720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.458720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.458720 (E_RNA) where: Base-Base interactions energy: -1579.728 where: short stacking energy: -658.647 Base-Backbone interact. energy: -3.002 local terms energy: -698.728817 where: bonds (distance) C4'-P energy: -127.476 bonds (distance) P-C4' energy: -136.810 flat angles C4'-P-C4' energy: -148.413 flat angles P-C4'-P energy: -105.548 tors. eta vs tors. theta energy: -180.483 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: 5, replica: 8 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2085.656517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.656517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.656517 (E_RNA) where: Base-Base interactions energy: -1429.472 where: short stacking energy: -595.170 Base-Backbone interact. energy: 0.208 local terms energy: -656.392302 where: bonds (distance) C4'-P energy: -133.236 bonds (distance) P-C4' energy: -130.229 flat angles C4'-P-C4' energy: -147.327 flat angles P-C4'-P energy: -89.083 tors. eta vs tors. theta energy: -156.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -2007.055375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.055375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.055375 (E_RNA) where: Base-Base interactions energy: -1413.711 where: short stacking energy: -548.237 Base-Backbone interact. energy: -2.048 local terms energy: -591.296520 where: bonds (distance) C4'-P energy: -124.921 bonds (distance) P-C4' energy: -116.490 flat angles C4'-P-C4' energy: -128.850 flat angles P-C4'-P energy: -75.687 tors. eta vs tors. theta energy: -145.349 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: 7, replica: 6 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1617.972767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.972767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.972767 (E_RNA) where: Base-Base interactions energy: -1062.764 where: short stacking energy: -447.145 Base-Backbone interact. energy: -5.466 local terms energy: -549.743193 where: bonds (distance) C4'-P energy: -113.186 bonds (distance) P-C4' energy: -127.215 flat angles C4'-P-C4' energy: -120.180 flat angles P-C4'-P energy: -83.986 tors. eta vs tors. theta energy: -105.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1392.148967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.148967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.148967 (E_RNA) where: Base-Base interactions energy: -862.997 where: short stacking energy: -409.205 Base-Backbone interact. energy: -1.069 local terms energy: -528.083014 where: bonds (distance) C4'-P energy: -121.993 bonds (distance) P-C4' energy: -122.759 flat angles C4'-P-C4' energy: -128.405 flat angles P-C4'-P energy: -80.353 tors. eta vs tors. theta energy: -74.572 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: 9, replica: 10 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1110.395577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.395577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.395577 (E_RNA) where: Base-Base interactions energy: -642.930 where: short stacking energy: -339.120 Base-Backbone interact. energy: -0.459 local terms energy: -467.005974 where: bonds (distance) C4'-P energy: -125.799 bonds (distance) P-C4' energy: -115.609 flat angles C4'-P-C4' energy: -124.839 flat angles P-C4'-P energy: -51.946 tors. eta vs tors. theta energy: -48.812 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: 10, replica: 1 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -852.642884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.642884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.642884 (E_RNA) where: Base-Base interactions energy: -450.694 where: short stacking energy: -248.886 Base-Backbone interact. energy: 3.411 local terms energy: -405.359595 where: bonds (distance) C4'-P energy: -132.088 bonds (distance) P-C4' energy: -114.932 flat angles C4'-P-C4' energy: -85.401 flat angles P-C4'-P energy: -70.890 tors. eta vs tors. theta energy: -2.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -2633.414114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.414114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.414114 (E_RNA) where: Base-Base interactions energy: -1802.171 where: short stacking energy: -752.116 Base-Backbone interact. energy: 1.604 local terms energy: -832.847247 where: bonds (distance) C4'-P energy: -148.992 bonds (distance) P-C4' energy: -152.781 flat angles C4'-P-C4' energy: -177.763 flat angles P-C4'-P energy: -118.346 tors. eta vs tors. theta energy: -234.966 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: 2 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2466.522365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.522365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.522365 (E_RNA) where: Base-Base interactions energy: -1686.873 where: short stacking energy: -714.263 Base-Backbone interact. energy: -2.398 local terms energy: -777.251732 where: bonds (distance) C4'-P energy: -140.218 bonds (distance) P-C4' energy: -145.291 flat angles C4'-P-C4' energy: -159.266 flat angles P-C4'-P energy: -125.341 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: 3, replica: 9 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2291.587422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.587422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.587422 (E_RNA) where: Base-Base interactions energy: -1549.589 where: short stacking energy: -666.459 Base-Backbone interact. energy: -1.040 local terms energy: -740.958871 where: bonds (distance) C4'-P energy: -134.756 bonds (distance) P-C4' energy: -146.607 flat angles C4'-P-C4' energy: -151.892 flat angles P-C4'-P energy: -109.952 tors. eta vs tors. theta energy: -197.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2298.504868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.504868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.504868 (E_RNA) where: Base-Base interactions energy: -1590.248 where: short stacking energy: -662.903 Base-Backbone interact. energy: -4.085 local terms energy: -704.171813 where: bonds (distance) C4'-P energy: -139.702 bonds (distance) P-C4' energy: -129.372 flat angles C4'-P-C4' energy: -160.739 flat angles P-C4'-P energy: -85.092 tors. eta vs tors. theta energy: -189.266 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: 8 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2058.213762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.213762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.213762 (E_RNA) where: Base-Base interactions energy: -1404.377 where: short stacking energy: -611.318 Base-Backbone interact. energy: -2.737 local terms energy: -651.099866 where: bonds (distance) C4'-P energy: -141.347 bonds (distance) P-C4' energy: -121.167 flat angles C4'-P-C4' energy: -141.500 flat angles P-C4'-P energy: -99.036 tors. eta vs tors. theta energy: -148.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -2008.711586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.711586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.711586 (E_RNA) where: Base-Base interactions energy: -1377.846 where: short stacking energy: -554.082 Base-Backbone interact. energy: -1.966 local terms energy: -628.898923 where: bonds (distance) C4'-P energy: -116.338 bonds (distance) P-C4' energy: -145.132 flat angles C4'-P-C4' energy: -148.836 flat angles P-C4'-P energy: -79.326 tors. eta vs tors. theta energy: -139.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1626.939736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.939736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.939736 (E_RNA) where: Base-Base interactions energy: -1075.158 where: short stacking energy: -482.515 Base-Backbone interact. energy: 5.634 local terms energy: -557.416408 where: bonds (distance) C4'-P energy: -119.270 bonds (distance) P-C4' energy: -129.488 flat angles C4'-P-C4' energy: -122.678 flat angles P-C4'-P energy: -70.244 tors. eta vs tors. theta energy: -115.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1328.275517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.275517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.275517 (E_RNA) where: Base-Base interactions energy: -817.961 where: short stacking energy: -388.874 Base-Backbone interact. energy: -1.025 local terms energy: -509.289099 where: bonds (distance) C4'-P energy: -115.261 bonds (distance) P-C4' energy: -132.943 flat angles C4'-P-C4' energy: -113.412 flat angles P-C4'-P energy: -69.997 tors. eta vs tors. theta energy: -77.677 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: 10 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -1144.871184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.871184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.871184 (E_RNA) where: Base-Base interactions energy: -651.241 where: short stacking energy: -332.410 Base-Backbone interact. energy: 3.412 local terms energy: -497.041355 where: bonds (distance) C4'-P energy: -114.142 bonds (distance) P-C4' energy: -122.143 flat angles C4'-P-C4' energy: -125.192 flat angles P-C4'-P energy: -88.460 tors. eta vs tors. theta energy: -47.104 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: 1 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -853.284616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.284616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.284616 (E_RNA) where: Base-Base interactions energy: -432.536 where: short stacking energy: -253.806 Base-Backbone interact. energy: 9.094 local terms energy: -429.843369 where: bonds (distance) C4'-P energy: -138.155 bonds (distance) P-C4' energy: -117.876 flat angles C4'-P-C4' energy: -114.919 flat angles P-C4'-P energy: -53.515 tors. eta vs tors. theta energy: -5.377 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: 1, replica: 3 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -2621.208017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.208017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.208017 (E_RNA) where: Base-Base interactions energy: -1795.368 where: short stacking energy: -763.958 Base-Backbone interact. energy: 0.468 local terms energy: -826.307819 where: bonds (distance) C4'-P energy: -153.566 bonds (distance) P-C4' energy: -142.791 flat angles C4'-P-C4' energy: -182.144 flat angles P-C4'-P energy: -113.177 tors. eta vs tors. theta energy: -234.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2484.384651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.384651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.384651 (E_RNA) where: Base-Base interactions energy: -1686.222 where: short stacking energy: -726.064 Base-Backbone interact. energy: -1.378 local terms energy: -796.784822 where: bonds (distance) C4'-P energy: -151.634 bonds (distance) P-C4' energy: -148.818 flat angles C4'-P-C4' energy: -172.642 flat angles P-C4'-P energy: -97.307 tors. eta vs tors. theta energy: -226.384 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: 3, replica: 7 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2379.256563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.256563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.256563 (E_RNA) where: Base-Base interactions energy: -1661.484 where: short stacking energy: -701.842 Base-Backbone interact. energy: -1.015 local terms energy: -716.757972 where: bonds (distance) C4'-P energy: -136.426 bonds (distance) P-C4' energy: -127.799 flat angles C4'-P-C4' energy: -174.787 flat angles P-C4'-P energy: -100.440 tors. eta vs tors. theta energy: -177.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2214.082840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.082840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.082840 (E_RNA) where: Base-Base interactions energy: -1494.719 where: short stacking energy: -667.134 Base-Backbone interact. energy: -1.425 local terms energy: -717.939319 where: bonds (distance) C4'-P energy: -119.838 bonds (distance) P-C4' energy: -155.879 flat angles C4'-P-C4' energy: -149.042 flat angles P-C4'-P energy: -105.861 tors. eta vs tors. theta energy: -187.319 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: 8 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2065.013379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.013379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.013379 (E_RNA) where: Base-Base interactions energy: -1404.455 where: short stacking energy: -598.517 Base-Backbone interact. energy: -2.165 local terms energy: -658.394290 where: bonds (distance) C4'-P energy: -136.779 bonds (distance) P-C4' energy: -111.341 flat angles C4'-P-C4' energy: -148.271 flat angles P-C4'-P energy: -103.107 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: 6, replica: 4 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1972.292474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.292474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.292474 (E_RNA) where: Base-Base interactions energy: -1341.581 where: short stacking energy: -549.635 Base-Backbone interact. energy: -2.451 local terms energy: -628.260209 where: bonds (distance) C4'-P energy: -141.177 bonds (distance) P-C4' energy: -125.312 flat angles C4'-P-C4' energy: -143.502 flat angles P-C4'-P energy: -82.865 tors. eta vs tors. theta energy: -135.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1630.996353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.996353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.996353 (E_RNA) where: Base-Base interactions energy: -1050.081 where: short stacking energy: -451.370 Base-Backbone interact. energy: -0.345 local terms energy: -580.570776 where: bonds (distance) C4'-P energy: -117.501 bonds (distance) P-C4' energy: -133.133 flat angles C4'-P-C4' energy: -134.734 flat angles P-C4'-P energy: -93.646 tors. eta vs tors. theta energy: -101.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1343.399035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.399035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.399035 (E_RNA) where: Base-Base interactions energy: -821.433 where: short stacking energy: -383.869 Base-Backbone interact. energy: 0.482 local terms energy: -522.447903 where: bonds (distance) C4'-P energy: -127.231 bonds (distance) P-C4' energy: -133.266 flat angles C4'-P-C4' energy: -110.499 flat angles P-C4'-P energy: -75.597 tors. eta vs tors. theta energy: -75.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -1100.159246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.159246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.159246 (E_RNA) where: Base-Base interactions energy: -659.843 where: short stacking energy: -324.235 Base-Backbone interact. energy: 0.326 local terms energy: -440.641708 where: bonds (distance) C4'-P energy: -114.879 bonds (distance) P-C4' energy: -126.767 flat angles C4'-P-C4' energy: -104.825 flat angles P-C4'-P energy: -63.441 tors. eta vs tors. theta energy: -30.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -843.806166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.806166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.806166 (E_RNA) where: Base-Base interactions energy: -443.099 where: short stacking energy: -226.835 Base-Backbone interact. energy: 2.659 local terms energy: -403.365620 where: bonds (distance) C4'-P energy: -110.735 bonds (distance) P-C4' energy: -128.195 flat angles C4'-P-C4' energy: -106.274 flat angles P-C4'-P energy: -61.711 tors. eta vs tors. theta energy: 3.548 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: 3 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -2626.464597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.464597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.464597 (E_RNA) where: Base-Base interactions energy: -1800.444 where: short stacking energy: -808.745 Base-Backbone interact. energy: -0.341 local terms energy: -825.680472 where: bonds (distance) C4'-P energy: -147.446 bonds (distance) P-C4' energy: -136.438 flat angles C4'-P-C4' energy: -179.833 flat angles P-C4'-P energy: -123.636 tors. eta vs tors. theta energy: -238.327 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: 2 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2475.652490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.652490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.652490 (E_RNA) where: Base-Base interactions energy: -1681.080 where: short stacking energy: -744.158 Base-Backbone interact. energy: -1.876 local terms energy: -792.696830 where: bonds (distance) C4'-P energy: -138.356 bonds (distance) P-C4' energy: -155.303 flat angles C4'-P-C4' energy: -164.097 flat angles P-C4'-P energy: -107.309 tors. eta vs tors. theta energy: -227.631 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: 3, replica: 7 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2421.771942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.771942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.771942 (E_RNA) where: Base-Base interactions energy: -1687.899 where: short stacking energy: -700.662 Base-Backbone interact. energy: -2.320 local terms energy: -731.553201 where: bonds (distance) C4'-P energy: -135.325 bonds (distance) P-C4' energy: -150.151 flat angles C4'-P-C4' energy: -164.998 flat angles P-C4'-P energy: -95.458 tors. eta vs tors. theta energy: -185.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2203.704445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.704445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.704445 (E_RNA) where: Base-Base interactions energy: -1474.687 where: short stacking energy: -637.026 Base-Backbone interact. energy: -2.732 local terms energy: -726.284572 where: bonds (distance) C4'-P energy: -145.171 bonds (distance) P-C4' energy: -144.214 flat angles C4'-P-C4' energy: -156.422 flat angles P-C4'-P energy: -102.208 tors. eta vs tors. theta energy: -178.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -2123.126452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.126452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.126452 (E_RNA) where: Base-Base interactions energy: -1443.293 where: short stacking energy: -618.040 Base-Backbone interact. energy: 1.936 local terms energy: -681.769553 where: bonds (distance) C4'-P energy: -118.012 bonds (distance) P-C4' energy: -134.291 flat angles C4'-P-C4' energy: -141.364 flat angles P-C4'-P energy: -103.325 tors. eta vs tors. theta energy: -184.777 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: 6, replica: 4 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1983.100805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.100805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.100805 (E_RNA) where: Base-Base interactions energy: -1345.625 where: short stacking energy: -538.504 Base-Backbone interact. energy: 1.509 local terms energy: -638.984768 where: bonds (distance) C4'-P energy: -125.961 bonds (distance) P-C4' energy: -128.482 flat angles C4'-P-C4' energy: -142.650 flat angles P-C4'-P energy: -87.990 tors. eta vs tors. theta energy: -153.902 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: 7, replica: 6 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1588.751125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.751125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.751125 (E_RNA) where: Base-Base interactions energy: -1021.814 where: short stacking energy: -436.734 Base-Backbone interact. energy: 4.634 local terms energy: -571.571296 where: bonds (distance) C4'-P energy: -132.758 bonds (distance) P-C4' energy: -125.863 flat angles C4'-P-C4' energy: -144.517 flat angles P-C4'-P energy: -69.230 tors. eta vs tors. theta energy: -99.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1411.305289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.305289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.305289 (E_RNA) where: Base-Base interactions energy: -858.039 where: short stacking energy: -402.265 Base-Backbone interact. energy: 4.631 local terms energy: -557.897455 where: bonds (distance) C4'-P energy: -138.115 bonds (distance) P-C4' energy: -146.734 flat angles C4'-P-C4' energy: -125.053 flat angles P-C4'-P energy: -68.229 tors. eta vs tors. theta energy: -79.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -1085.573442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.573442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.573442 (E_RNA) where: Base-Base interactions energy: -609.043 where: short stacking energy: -288.181 Base-Backbone interact. energy: -3.129 local terms energy: -473.400841 where: bonds (distance) C4'-P energy: -117.416 bonds (distance) P-C4' energy: -140.989 flat angles C4'-P-C4' energy: -117.639 flat angles P-C4'-P energy: -67.042 tors. eta vs tors. theta energy: -30.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -844.944372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.944372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.944372 (E_RNA) where: Base-Base interactions energy: -474.630 where: short stacking energy: -251.361 Base-Backbone interact. energy: -0.225 local terms energy: -370.089964 where: bonds (distance) C4'-P energy: -78.332 bonds (distance) P-C4' energy: -113.556 flat angles C4'-P-C4' energy: -109.898 flat angles P-C4'-P energy: -61.153 tors. eta vs tors. theta energy: -7.151 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: 3 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -2626.815557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.815557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.815557 (E_RNA) where: Base-Base interactions energy: -1791.366 where: short stacking energy: -792.044 Base-Backbone interact. energy: -0.103 local terms energy: -835.346967 where: bonds (distance) C4'-P energy: -152.330 bonds (distance) P-C4' energy: -149.220 flat angles C4'-P-C4' energy: -176.906 flat angles P-C4'-P energy: -110.451 tors. eta vs tors. theta energy: -246.440 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: 2 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2465.983059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.983059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.983059 (E_RNA) where: Base-Base interactions energy: -1699.387 where: short stacking energy: -719.615 Base-Backbone interact. energy: 1.603 local terms energy: -768.199191 where: bonds (distance) C4'-P energy: -138.625 bonds (distance) P-C4' energy: -138.444 flat angles C4'-P-C4' energy: -164.499 flat angles P-C4'-P energy: -119.076 tors. eta vs tors. theta energy: -207.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2360.466538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.466538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.466538 (E_RNA) where: Base-Base interactions energy: -1623.536 where: short stacking energy: -674.690 Base-Backbone interact. energy: -0.746 local terms energy: -736.184276 where: bonds (distance) C4'-P energy: -135.060 bonds (distance) P-C4' energy: -142.204 flat angles C4'-P-C4' energy: -153.420 flat angles P-C4'-P energy: -113.310 tors. eta vs tors. theta energy: -192.191 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: 4, replica: 9 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2242.796727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.796727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.796727 (E_RNA) where: Base-Base interactions energy: -1529.686 where: short stacking energy: -660.533 Base-Backbone interact. energy: 1.593 local terms energy: -714.703707 where: bonds (distance) C4'-P energy: -133.914 bonds (distance) P-C4' energy: -131.635 flat angles C4'-P-C4' energy: -148.407 flat angles P-C4'-P energy: -108.047 tors. eta vs tors. theta energy: -192.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2058.839626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.839626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.839626 (E_RNA) where: Base-Base interactions energy: -1390.599 where: short stacking energy: -612.375 Base-Backbone interact. energy: -1.354 local terms energy: -666.886577 where: bonds (distance) C4'-P energy: -134.436 bonds (distance) P-C4' energy: -133.039 flat angles C4'-P-C4' energy: -149.756 flat angles P-C4'-P energy: -85.545 tors. eta vs tors. theta energy: -164.111 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: 4 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1987.356858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.356858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.356858 (E_RNA) where: Base-Base interactions energy: -1330.763 where: short stacking energy: -556.758 Base-Backbone interact. energy: -1.023 local terms energy: -655.570381 where: bonds (distance) C4'-P energy: -128.546 bonds (distance) P-C4' energy: -138.259 flat angles C4'-P-C4' energy: -150.663 flat angles P-C4'-P energy: -99.218 tors. eta vs tors. theta energy: -138.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1655.892503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.892503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.892503 (E_RNA) where: Base-Base interactions energy: -1095.401 where: short stacking energy: -481.436 Base-Backbone interact. energy: -2.346 local terms energy: -561.015272 where: bonds (distance) C4'-P energy: -133.892 bonds (distance) P-C4' energy: -127.806 flat angles C4'-P-C4' energy: -116.343 flat angles P-C4'-P energy: -76.783 tors. eta vs tors. theta energy: -106.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 2.870 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1363.715076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.715076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.715076 (E_RNA) where: Base-Base interactions energy: -834.023 where: short stacking energy: -398.418 Base-Backbone interact. energy: -4.488 local terms energy: -525.204855 where: bonds (distance) C4'-P energy: -122.983 bonds (distance) P-C4' energy: -125.286 flat angles C4'-P-C4' energy: -119.933 flat angles P-C4'-P energy: -83.698 tors. eta vs tors. theta energy: -73.305 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: 342 Temperature: 1.300000 Total energy: -1091.689255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.689255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.689255 (E_RNA) where: Base-Base interactions energy: -635.500 where: short stacking energy: -306.278 Base-Backbone interact. energy: -2.609 local terms energy: -453.580355 where: bonds (distance) C4'-P energy: -115.846 bonds (distance) P-C4' energy: -117.013 flat angles C4'-P-C4' energy: -118.413 flat angles P-C4'-P energy: -70.588 tors. eta vs tors. theta energy: -31.719 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: 1 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -852.818439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.818439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.818439 (E_RNA) where: Base-Base interactions energy: -409.855 where: short stacking energy: -238.059 Base-Backbone interact. energy: 0.316 local terms energy: -443.279266 where: bonds (distance) C4'-P energy: -100.723 bonds (distance) P-C4' energy: -136.199 flat angles C4'-P-C4' energy: -124.400 flat angles P-C4'-P energy: -65.622 tors. eta vs tors. theta energy: -16.336 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: 3 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -2598.318346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.318346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.318346 (E_RNA) where: Base-Base interactions energy: -1774.151 where: short stacking energy: -781.401 Base-Backbone interact. energy: 1.556 local terms energy: -825.722813 where: bonds (distance) C4'-P energy: -146.606 bonds (distance) P-C4' energy: -153.132 flat angles C4'-P-C4' energy: -170.170 flat angles P-C4'-P energy: -125.924 tors. eta vs tors. theta energy: -229.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2459.943564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.943564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.943564 (E_RNA) where: Base-Base interactions energy: -1661.121 where: short stacking energy: -728.140 Base-Backbone interact. energy: 0.833 local terms energy: -799.656009 where: bonds (distance) C4'-P energy: -166.146 bonds (distance) P-C4' energy: -143.918 flat angles C4'-P-C4' energy: -168.047 flat angles P-C4'-P energy: -112.297 tors. eta vs tors. theta energy: -209.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2381.516064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.516064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.516064 (E_RNA) where: Base-Base interactions energy: -1653.176 where: short stacking energy: -701.040 Base-Backbone interact. energy: -3.723 local terms energy: -724.616416 where: bonds (distance) C4'-P energy: -116.638 bonds (distance) P-C4' energy: -147.804 flat angles C4'-P-C4' energy: -157.954 flat angles P-C4'-P energy: -106.412 tors. eta vs tors. theta energy: -195.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2209.921577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.921577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.921577 (E_RNA) where: Base-Base interactions energy: -1505.678 where: short stacking energy: -629.066 Base-Backbone interact. energy: -0.871 local terms energy: -703.373463 where: bonds (distance) C4'-P energy: -129.933 bonds (distance) P-C4' energy: -158.305 flat angles C4'-P-C4' energy: -141.779 flat angles P-C4'-P energy: -101.853 tors. eta vs tors. theta energy: -171.504 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: 5, replica: 8 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2075.056491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.056491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.056491 (E_RNA) where: Base-Base interactions energy: -1395.381 where: short stacking energy: -608.228 Base-Backbone interact. energy: 3.630 local terms energy: -683.304899 where: bonds (distance) C4'-P energy: -127.974 bonds (distance) P-C4' energy: -142.969 flat angles C4'-P-C4' energy: -143.789 flat angles P-C4'-P energy: -101.471 tors. eta vs tors. theta energy: -167.102 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: 4 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1943.562710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.562710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.562710 (E_RNA) where: Base-Base interactions energy: -1326.457 where: short stacking energy: -540.889 Base-Backbone interact. energy: -0.233 local terms energy: -616.873131 where: bonds (distance) C4'-P energy: -130.329 bonds (distance) P-C4' energy: -130.440 flat angles C4'-P-C4' energy: -135.303 flat angles P-C4'-P energy: -83.151 tors. eta vs tors. theta energy: -137.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1772.698735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.698735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.698735 (E_RNA) where: Base-Base interactions energy: -1188.201 where: short stacking energy: -502.746 Base-Backbone interact. energy: -1.595 local terms energy: -582.902440 where: bonds (distance) C4'-P energy: -110.247 bonds (distance) P-C4' energy: -130.165 flat angles C4'-P-C4' energy: -119.575 flat angles P-C4'-P energy: -98.530 tors. eta vs tors. theta energy: -124.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1405.477537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.477537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.477537 (E_RNA) where: Base-Base interactions energy: -882.415 where: short stacking energy: -403.735 Base-Backbone interact. energy: -4.607 local terms energy: -518.455623 where: bonds (distance) C4'-P energy: -113.904 bonds (distance) P-C4' energy: -123.131 flat angles C4'-P-C4' energy: -106.198 flat angles P-C4'-P energy: -84.764 tors. eta vs tors. theta energy: -90.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -1111.058671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.058671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.058671 (E_RNA) where: Base-Base interactions energy: -658.987 where: short stacking energy: -313.974 Base-Backbone interact. energy: 0.580 local terms energy: -452.652466 where: bonds (distance) C4'-P energy: -120.608 bonds (distance) P-C4' energy: -119.228 flat angles C4'-P-C4' energy: -104.030 flat angles P-C4'-P energy: -76.241 tors. eta vs tors. theta energy: -32.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -848.432571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.432571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.432571 (E_RNA) where: Base-Base interactions energy: -441.357 where: short stacking energy: -244.947 Base-Backbone interact. energy: -2.139 local terms energy: -404.936089 where: bonds (distance) C4'-P energy: -107.822 bonds (distance) P-C4' energy: -128.720 flat angles C4'-P-C4' energy: -107.945 flat angles P-C4'-P energy: -61.637 tors. eta vs tors. theta energy: 1.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -2572.911286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.911286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.911286 (E_RNA) where: Base-Base interactions energy: -1775.351 where: short stacking energy: -753.317 Base-Backbone interact. energy: -1.992 local terms energy: -795.567791 where: bonds (distance) C4'-P energy: -135.345 bonds (distance) P-C4' energy: -137.631 flat angles C4'-P-C4' energy: -181.669 flat angles P-C4'-P energy: -113.565 tors. eta vs tors. theta energy: -227.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2476.984984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.984984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.984984 (E_RNA) where: Base-Base interactions energy: -1727.881 where: short stacking energy: -735.412 Base-Backbone interact. energy: -4.974 local terms energy: -744.129858 where: bonds (distance) C4'-P energy: -115.151 bonds (distance) P-C4' energy: -147.503 flat angles C4'-P-C4' energy: -172.331 flat angles P-C4'-P energy: -103.821 tors. eta vs tors. theta energy: -205.324 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: 3, replica: 7 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2352.443803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.443803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.443803 (E_RNA) where: Base-Base interactions energy: -1618.132 where: short stacking energy: -680.670 Base-Backbone interact. energy: 0.651 local terms energy: -734.962687 where: bonds (distance) C4'-P energy: -121.564 bonds (distance) P-C4' energy: -147.593 flat angles C4'-P-C4' energy: -154.634 flat angles P-C4'-P energy: -110.894 tors. eta vs tors. theta energy: -200.277 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: 9 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2268.900194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.900194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.900194 (E_RNA) where: Base-Base interactions energy: -1561.492 where: short stacking energy: -681.200 Base-Backbone interact. energy: -1.342 local terms energy: -706.066471 where: bonds (distance) C4'-P energy: -136.993 bonds (distance) P-C4' energy: -142.651 flat angles C4'-P-C4' energy: -146.384 flat angles P-C4'-P energy: -76.472 tors. eta vs tors. theta energy: -203.567 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: 8 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2023.084677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.084677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.084677 (E_RNA) where: Base-Base interactions energy: -1386.777 where: short stacking energy: -595.491 Base-Backbone interact. energy: 3.315 local terms energy: -639.622266 where: bonds (distance) C4'-P energy: -132.301 bonds (distance) P-C4' energy: -138.920 flat angles C4'-P-C4' energy: -132.850 flat angles P-C4'-P energy: -89.865 tors. eta vs tors. theta energy: -145.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1957.973644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.973644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.973644 (E_RNA) where: Base-Base interactions energy: -1359.903 where: short stacking energy: -567.070 Base-Backbone interact. energy: 4.015 local terms energy: -602.085755 where: bonds (distance) C4'-P energy: -101.798 bonds (distance) P-C4' energy: -130.628 flat angles C4'-P-C4' energy: -146.320 flat angles P-C4'-P energy: -89.669 tors. eta vs tors. theta energy: -133.671 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: 6 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1774.272116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.272116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.272116 (E_RNA) where: Base-Base interactions energy: -1189.700 where: short stacking energy: -485.259 Base-Backbone interact. energy: -2.788 local terms energy: -581.784297 where: bonds (distance) C4'-P energy: -124.344 bonds (distance) P-C4' energy: -138.020 flat angles C4'-P-C4' energy: -135.306 flat angles P-C4'-P energy: -85.467 tors. eta vs tors. theta energy: -98.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1469.290448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.290448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.290448 (E_RNA) where: Base-Base interactions energy: -928.500 where: short stacking energy: -404.275 Base-Backbone interact. energy: -0.915 local terms energy: -539.875231 where: bonds (distance) C4'-P energy: -126.313 bonds (distance) P-C4' energy: -113.917 flat angles C4'-P-C4' energy: -130.100 flat angles P-C4'-P energy: -88.693 tors. eta vs tors. theta energy: -80.852 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: 10 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -985.028813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.028813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.028813 (E_RNA) where: Base-Base interactions energy: -559.300 where: short stacking energy: -287.242 Base-Backbone interact. energy: 3.219 local terms energy: -428.947500 where: bonds (distance) C4'-P energy: -93.779 bonds (distance) P-C4' energy: -128.206 flat angles C4'-P-C4' energy: -106.310 flat angles P-C4'-P energy: -75.726 tors. eta vs tors. theta energy: -24.927 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: 1 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -843.284906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.284906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.284906 (E_RNA) where: Base-Base interactions energy: -430.545 where: short stacking energy: -227.185 Base-Backbone interact. energy: 1.577 local terms energy: -414.317346 where: bonds (distance) C4'-P energy: -118.363 bonds (distance) P-C4' energy: -115.312 flat angles C4'-P-C4' energy: -106.428 flat angles P-C4'-P energy: -74.197 tors. eta vs tors. theta energy: -0.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -2607.297132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.297132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.297132 (E_RNA) where: Base-Base interactions energy: -1779.340 where: short stacking energy: -771.903 Base-Backbone interact. energy: -0.214 local terms energy: -827.743399 where: bonds (distance) C4'-P energy: -159.350 bonds (distance) P-C4' energy: -152.286 flat angles C4'-P-C4' energy: -160.030 flat angles P-C4'-P energy: -121.602 tors. eta vs tors. theta energy: -234.475 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: 345 Temperature: 0.950000 Total energy: -2518.881840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.881840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.881840 (E_RNA) where: Base-Base interactions energy: -1731.170 where: short stacking energy: -727.734 Base-Backbone interact. energy: -2.699 local terms energy: -785.013696 where: bonds (distance) C4'-P energy: -150.500 bonds (distance) P-C4' energy: -155.308 flat angles C4'-P-C4' energy: -161.933 flat angles P-C4'-P energy: -108.597 tors. eta vs tors. theta energy: -208.676 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: 7 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2359.033565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.033565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.033565 (E_RNA) where: Base-Base interactions energy: -1612.891 where: short stacking energy: -671.402 Base-Backbone interact. energy: 0.242 local terms energy: -746.384368 where: bonds (distance) C4'-P energy: -146.818 bonds (distance) P-C4' energy: -138.372 flat angles C4'-P-C4' energy: -155.993 flat angles P-C4'-P energy: -108.509 tors. eta vs tors. theta energy: -196.693 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: 9 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2235.242684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.242684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.242684 (E_RNA) where: Base-Base interactions energy: -1527.888 where: short stacking energy: -669.760 Base-Backbone interact. energy: -2.027 local terms energy: -705.327615 where: bonds (distance) C4'-P energy: -133.033 bonds (distance) P-C4' energy: -138.768 flat angles C4'-P-C4' energy: -142.366 flat angles P-C4'-P energy: -99.485 tors. eta vs tors. theta energy: -191.676 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: 8 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2042.689896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.689896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.689896 (E_RNA) where: Base-Base interactions energy: -1377.048 where: short stacking energy: -613.732 Base-Backbone interact. energy: -3.274 local terms energy: -662.367471 where: bonds (distance) C4'-P energy: -138.465 bonds (distance) P-C4' energy: -148.450 flat angles C4'-P-C4' energy: -128.500 flat angles P-C4'-P energy: -90.523 tors. eta vs tors. theta energy: -156.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1966.582267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.582267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.582267 (E_RNA) where: Base-Base interactions energy: -1331.497 where: short stacking energy: -552.164 Base-Backbone interact. energy: 6.073 local terms energy: -641.158463 where: bonds (distance) C4'-P energy: -125.768 bonds (distance) P-C4' energy: -141.648 flat angles C4'-P-C4' energy: -151.112 flat angles P-C4'-P energy: -87.229 tors. eta vs tors. theta energy: -135.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1742.453717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.453717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.453717 (E_RNA) where: Base-Base interactions energy: -1146.611 where: short stacking energy: -492.912 Base-Backbone interact. energy: -1.619 local terms energy: -594.224194 where: bonds (distance) C4'-P energy: -126.873 bonds (distance) P-C4' energy: -135.379 flat angles C4'-P-C4' energy: -140.232 flat angles P-C4'-P energy: -70.028 tors. eta vs tors. theta energy: -121.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1371.021264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.021264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.021264 (E_RNA) where: Base-Base interactions energy: -863.878 where: short stacking energy: -400.088 Base-Backbone interact. energy: -3.856 local terms energy: -503.287228 where: bonds (distance) C4'-P energy: -113.633 bonds (distance) P-C4' energy: -129.542 flat angles C4'-P-C4' energy: -121.485 flat angles P-C4'-P energy: -65.284 tors. eta vs tors. theta energy: -73.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -1000.294090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.294090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.294090 (E_RNA) where: Base-Base interactions energy: -552.711 where: short stacking energy: -299.232 Base-Backbone interact. energy: 0.380 local terms energy: -447.963177 where: bonds (distance) C4'-P energy: -122.689 bonds (distance) P-C4' energy: -141.221 flat angles C4'-P-C4' energy: -120.671 flat angles P-C4'-P energy: -38.700 tors. eta vs tors. theta energy: -24.682 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: 1 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -806.117925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.117925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.117925 (E_RNA) where: Base-Base interactions energy: -388.188 where: short stacking energy: -220.071 Base-Backbone interact. energy: -1.963 local terms energy: -415.966385 where: bonds (distance) C4'-P energy: -106.397 bonds (distance) P-C4' energy: -123.626 flat angles C4'-P-C4' energy: -116.590 flat angles P-C4'-P energy: -56.154 tors. eta vs tors. theta energy: -13.201 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: 3 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -2599.646364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.646364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.646364 (E_RNA) where: Base-Base interactions energy: -1810.765 where: short stacking energy: -770.366 Base-Backbone interact. energy: -1.761 local terms energy: -787.120795 where: bonds (distance) C4'-P energy: -132.338 bonds (distance) P-C4' energy: -146.577 flat angles C4'-P-C4' energy: -173.578 flat angles P-C4'-P energy: -106.086 tors. eta vs tors. theta energy: -228.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2506.379205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.379205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.379205 (E_RNA) where: Base-Base interactions energy: -1714.408 where: short stacking energy: -754.845 Base-Backbone interact. energy: -3.290 local terms energy: -788.681593 where: bonds (distance) C4'-P energy: -143.919 bonds (distance) P-C4' energy: -141.701 flat angles C4'-P-C4' energy: -165.447 flat angles P-C4'-P energy: -112.043 tors. eta vs tors. theta energy: -225.572 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: 346 Temperature: 1.000000 Total energy: -2329.805348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.805348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.805348 (E_RNA) where: Base-Base interactions energy: -1603.934 where: short stacking energy: -683.049 Base-Backbone interact. energy: -0.443 local terms energy: -725.428474 where: bonds (distance) C4'-P energy: -139.912 bonds (distance) P-C4' energy: -145.338 flat angles C4'-P-C4' energy: -154.109 flat angles P-C4'-P energy: -100.517 tors. eta vs tors. theta energy: -185.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2234.448668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.448668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.448668 (E_RNA) where: Base-Base interactions energy: -1560.046 where: short stacking energy: -630.983 Base-Backbone interact. energy: -0.459 local terms energy: -673.943521 where: bonds (distance) C4'-P energy: -139.325 bonds (distance) P-C4' energy: -118.678 flat angles C4'-P-C4' energy: -135.229 flat angles P-C4'-P energy: -86.771 tors. eta vs tors. theta energy: -193.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2046.509246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.509246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.509246 (E_RNA) where: Base-Base interactions energy: -1389.830 where: short stacking energy: -597.211 Base-Backbone interact. energy: -2.575 local terms energy: -654.104456 where: bonds (distance) C4'-P energy: -115.427 bonds (distance) P-C4' energy: -140.681 flat angles C4'-P-C4' energy: -148.196 flat angles P-C4'-P energy: -89.172 tors. eta vs tors. theta energy: -160.629 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: 6, replica: 4 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -2023.487743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.487743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.487743 (E_RNA) where: Base-Base interactions energy: -1404.518 where: short stacking energy: -579.492 Base-Backbone interact. energy: -0.660 local terms energy: -618.310318 where: bonds (distance) C4'-P energy: -125.897 bonds (distance) P-C4' energy: -112.528 flat angles C4'-P-C4' energy: -129.543 flat angles P-C4'-P energy: -98.859 tors. eta vs tors. theta energy: -151.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1733.535222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.535222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.535222 (E_RNA) where: Base-Base interactions energy: -1163.713 where: short stacking energy: -490.400 Base-Backbone interact. energy: -0.042 local terms energy: -569.781034 where: bonds (distance) C4'-P energy: -120.829 bonds (distance) P-C4' energy: -108.237 flat angles C4'-P-C4' energy: -133.111 flat angles P-C4'-P energy: -87.962 tors. eta vs tors. theta energy: -119.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1360.738213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.738213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.738213 (E_RNA) where: Base-Base interactions energy: -856.116 where: short stacking energy: -402.416 Base-Backbone interact. energy: -0.504 local terms energy: -504.118537 where: bonds (distance) C4'-P energy: -99.705 bonds (distance) P-C4' energy: -143.332 flat angles C4'-P-C4' energy: -130.614 flat angles P-C4'-P energy: -59.066 tors. eta vs tors. theta energy: -71.402 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: 9, replica: 10 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -1005.566704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.566704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.566704 (E_RNA) where: Base-Base interactions energy: -512.006 where: short stacking energy: -270.808 Base-Backbone interact. energy: -2.976 local terms energy: -490.584479 where: bonds (distance) C4'-P energy: -132.394 bonds (distance) P-C4' energy: -130.732 flat angles C4'-P-C4' energy: -124.929 flat angles P-C4'-P energy: -77.831 tors. eta vs tors. theta energy: -24.698 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: 1 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -890.112448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.112448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.112448 (E_RNA) where: Base-Base interactions energy: -453.852 where: short stacking energy: -263.003 Base-Backbone interact. energy: -1.676 local terms energy: -434.584673 where: bonds (distance) C4'-P energy: -99.629 bonds (distance) P-C4' energy: -131.037 flat angles C4'-P-C4' energy: -104.005 flat angles P-C4'-P energy: -79.994 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: 3 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -2610.123846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.123846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.123846 (E_RNA) where: Base-Base interactions energy: -1809.950 where: short stacking energy: -760.074 Base-Backbone interact. energy: -0.161 local terms energy: -800.013224 where: bonds (distance) C4'-P energy: -145.325 bonds (distance) P-C4' energy: -163.064 flat angles C4'-P-C4' energy: -160.916 flat angles P-C4'-P energy: -106.683 tors. eta vs tors. theta energy: -224.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2512.408457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.408457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.408457 (E_RNA) where: Base-Base interactions energy: -1743.090 where: short stacking energy: -764.268 Base-Backbone interact. energy: 1.854 local terms energy: -771.171990 where: bonds (distance) C4'-P energy: -130.476 bonds (distance) P-C4' energy: -148.558 flat angles C4'-P-C4' energy: -162.488 flat angles P-C4'-P energy: -118.997 tors. eta vs tors. theta energy: -210.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2337.082047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.082047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.082047 (E_RNA) where: Base-Base interactions energy: -1603.397 where: short stacking energy: -690.520 Base-Backbone interact. energy: 0.914 local terms energy: -734.598534 where: bonds (distance) C4'-P energy: -139.775 bonds (distance) P-C4' energy: -141.120 flat angles C4'-P-C4' energy: -165.586 flat angles P-C4'-P energy: -110.176 tors. eta vs tors. theta energy: -177.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2290.735742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.735742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.735742 (E_RNA) where: Base-Base interactions energy: -1571.907 where: short stacking energy: -660.730 Base-Backbone interact. energy: -0.500 local terms energy: -718.328659 where: bonds (distance) C4'-P energy: -142.031 bonds (distance) P-C4' energy: -136.293 flat angles C4'-P-C4' energy: -155.127 flat angles P-C4'-P energy: -94.400 tors. eta vs tors. theta energy: -190.476 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: 5, replica: 8 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2068.126262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.126262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.126262 (E_RNA) where: Base-Base interactions energy: -1400.320 where: short stacking energy: -601.280 Base-Backbone interact. energy: -0.185 local terms energy: -667.620946 where: bonds (distance) C4'-P energy: -135.271 bonds (distance) P-C4' energy: -131.759 flat angles C4'-P-C4' energy: -136.917 flat angles P-C4'-P energy: -105.453 tors. eta vs tors. theta energy: -158.222 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: 4 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1942.623110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.623110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.623110 (E_RNA) where: Base-Base interactions energy: -1317.207 where: short stacking energy: -565.761 Base-Backbone interact. energy: 0.288 local terms energy: -625.704462 where: bonds (distance) C4'-P energy: -127.952 bonds (distance) P-C4' energy: -121.920 flat angles C4'-P-C4' energy: -150.521 flat angles P-C4'-P energy: -82.677 tors. eta vs tors. theta energy: -142.634 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: 347 Temperature: 1.200000 Total energy: -1722.222143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.222143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.222143 (E_RNA) where: Base-Base interactions energy: -1153.290 where: short stacking energy: -512.927 Base-Backbone interact. energy: -0.384 local terms energy: -568.548612 where: bonds (distance) C4'-P energy: -82.286 bonds (distance) P-C4' energy: -146.258 flat angles C4'-P-C4' energy: -136.272 flat angles P-C4'-P energy: -81.804 tors. eta vs tors. theta energy: -121.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1371.788664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.788664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.788664 (E_RNA) where: Base-Base interactions energy: -847.389 where: short stacking energy: -410.842 Base-Backbone interact. energy: 1.865 local terms energy: -526.265066 where: bonds (distance) C4'-P energy: -126.749 bonds (distance) P-C4' energy: -97.508 flat angles C4'-P-C4' energy: -133.260 flat angles P-C4'-P energy: -87.569 tors. eta vs tors. theta energy: -81.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -964.103727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.103727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.103727 (E_RNA) where: Base-Base interactions energy: -512.746 where: short stacking energy: -263.649 Base-Backbone interact. energy: 1.522 local terms energy: -452.879205 where: bonds (distance) C4'-P energy: -108.443 bonds (distance) P-C4' energy: -118.527 flat angles C4'-P-C4' energy: -124.173 flat angles P-C4'-P energy: -82.963 tors. eta vs tors. theta energy: -18.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -846.780861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.780861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.780861 (E_RNA) where: Base-Base interactions energy: -462.940 where: short stacking energy: -254.905 Base-Backbone interact. energy: -0.891 local terms energy: -382.949894 where: bonds (distance) C4'-P energy: -106.158 bonds (distance) P-C4' energy: -113.487 flat angles C4'-P-C4' energy: -105.456 flat angles P-C4'-P energy: -60.348 tors. eta vs tors. theta energy: 2.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -2601.756718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.756718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.756718 (E_RNA) where: Base-Base interactions energy: -1775.259 where: short stacking energy: -764.187 Base-Backbone interact. energy: -3.358 local terms energy: -823.139555 where: bonds (distance) C4'-P energy: -151.744 bonds (distance) P-C4' energy: -150.275 flat angles C4'-P-C4' energy: -164.928 flat angles P-C4'-P energy: -121.506 tors. eta vs tors. theta energy: -234.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2519.458937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.458937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.458937 (E_RNA) where: Base-Base interactions energy: -1744.924 where: short stacking energy: -738.955 Base-Backbone interact. energy: -1.601 local terms energy: -772.933822 where: bonds (distance) C4'-P energy: -140.987 bonds (distance) P-C4' energy: -140.448 flat angles C4'-P-C4' energy: -167.838 flat angles P-C4'-P energy: -106.558 tors. eta vs tors. theta energy: -217.103 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: 7 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2328.806196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.806196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.806196 (E_RNA) where: Base-Base interactions energy: -1583.135 where: short stacking energy: -658.055 Base-Backbone interact. energy: -3.935 local terms energy: -741.736216 where: bonds (distance) C4'-P energy: -144.758 bonds (distance) P-C4' energy: -147.592 flat angles C4'-P-C4' energy: -154.993 flat angles P-C4'-P energy: -105.911 tors. eta vs tors. theta energy: -188.482 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: 9 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2252.241064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.241064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.241064 (E_RNA) where: Base-Base interactions energy: -1549.804 where: short stacking energy: -653.033 Base-Backbone interact. energy: 5.289 local terms energy: -707.726493 where: bonds (distance) C4'-P energy: -126.854 bonds (distance) P-C4' energy: -141.650 flat angles C4'-P-C4' energy: -150.433 flat angles P-C4'-P energy: -95.533 tors. eta vs tors. theta energy: -193.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2084.057872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.057872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.057872 (E_RNA) where: Base-Base interactions energy: -1371.023 where: short stacking energy: -602.857 Base-Backbone interact. energy: -2.695 local terms energy: -710.339990 where: bonds (distance) C4'-P energy: -135.796 bonds (distance) P-C4' energy: -152.138 flat angles C4'-P-C4' energy: -160.703 flat angles P-C4'-P energy: -106.234 tors. eta vs tors. theta energy: -155.468 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: 348 Temperature: 1.150000 Total energy: -1883.477658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.477658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.477658 (E_RNA) where: Base-Base interactions energy: -1283.194 where: short stacking energy: -532.590 Base-Backbone interact. energy: -4.689 local terms energy: -595.594301 where: bonds (distance) C4'-P energy: -137.984 bonds (distance) P-C4' energy: -123.489 flat angles C4'-P-C4' energy: -120.599 flat angles P-C4'-P energy: -69.381 tors. eta vs tors. theta energy: -144.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1627.271837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.271837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.271837 (E_RNA) where: Base-Base interactions energy: -1044.514 where: short stacking energy: -472.902 Base-Backbone interact. energy: -2.396 local terms energy: -580.362502 where: bonds (distance) C4'-P energy: -98.062 bonds (distance) P-C4' energy: -127.620 flat angles C4'-P-C4' energy: -138.487 flat angles P-C4'-P energy: -96.263 tors. eta vs tors. theta energy: -119.930 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: 8, replica: 5 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1304.925549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.925549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.925549 (E_RNA) where: Base-Base interactions energy: -782.429 where: short stacking energy: -354.570 Base-Backbone interact. energy: 5.263 local terms energy: -527.759665 where: bonds (distance) C4'-P energy: -110.330 bonds (distance) P-C4' energy: -133.966 flat angles C4'-P-C4' energy: -130.342 flat angles P-C4'-P energy: -75.556 tors. eta vs tors. theta energy: -77.565 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: 348 Temperature: 1.300000 Total energy: -997.597210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.597210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.597210 (E_RNA) where: Base-Base interactions energy: -526.927 where: short stacking energy: -246.416 Base-Backbone interact. energy: 2.402 local terms energy: -473.072284 where: bonds (distance) C4'-P energy: -132.709 bonds (distance) P-C4' energy: -143.671 flat angles C4'-P-C4' energy: -129.029 flat angles P-C4'-P energy: -54.111 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: 10, replica: 1 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -868.409925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.409925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.409925 (E_RNA) where: Base-Base interactions energy: -487.264 where: short stacking energy: -269.879 Base-Backbone interact. energy: 7.777 local terms energy: -388.922886 where: bonds (distance) C4'-P energy: -98.373 bonds (distance) P-C4' energy: -127.526 flat angles C4'-P-C4' energy: -92.668 flat angles P-C4'-P energy: -53.509 tors. eta vs tors. theta energy: -16.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -2600.631768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.631768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.631768 (E_RNA) where: Base-Base interactions energy: -1793.609 where: short stacking energy: -752.925 Base-Backbone interact. energy: -1.412 local terms energy: -805.610617 where: bonds (distance) C4'-P energy: -144.327 bonds (distance) P-C4' energy: -147.245 flat angles C4'-P-C4' energy: -165.296 flat angles P-C4'-P energy: -116.910 tors. eta vs tors. theta energy: -231.832 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: 349 Temperature: 0.950000 Total energy: -2460.905284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.905284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.905284 (E_RNA) where: Base-Base interactions energy: -1685.650 where: short stacking energy: -721.476 Base-Backbone interact. energy: -1.015 local terms energy: -774.240367 where: bonds (distance) C4'-P energy: -145.584 bonds (distance) P-C4' energy: -142.405 flat angles C4'-P-C4' energy: -170.525 flat angles P-C4'-P energy: -109.131 tors. eta vs tors. theta energy: -206.596 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: 7 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2364.525599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.525599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.525599 (E_RNA) where: Base-Base interactions energy: -1599.413 where: short stacking energy: -674.273 Base-Backbone interact. energy: -3.080 local terms energy: -762.031846 where: bonds (distance) C4'-P energy: -143.868 bonds (distance) P-C4' energy: -152.069 flat angles C4'-P-C4' energy: -175.846 flat angles P-C4'-P energy: -101.551 tors. eta vs tors. theta energy: -188.697 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: 9 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2225.975579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.975579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.975579 (E_RNA) where: Base-Base interactions energy: -1530.785 where: short stacking energy: -660.375 Base-Backbone interact. energy: -1.072 local terms energy: -694.118209 where: bonds (distance) C4'-P energy: -113.253 bonds (distance) P-C4' energy: -142.760 flat angles C4'-P-C4' energy: -153.791 flat angles P-C4'-P energy: -90.157 tors. eta vs tors. theta energy: -194.157 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: 8 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2114.309796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.309796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.309796 (E_RNA) where: Base-Base interactions energy: -1454.993 where: short stacking energy: -610.119 Base-Backbone interact. energy: -4.306 local terms energy: -655.011214 where: bonds (distance) C4'-P energy: -122.322 bonds (distance) P-C4' energy: -138.500 flat angles C4'-P-C4' energy: -149.733 flat angles P-C4'-P energy: -95.351 tors. eta vs tors. theta energy: -149.104 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: 4 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1927.202052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.202052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.202052 (E_RNA) where: Base-Base interactions energy: -1299.576 where: short stacking energy: -562.551 Base-Backbone interact. energy: -1.732 local terms energy: -625.893941 where: bonds (distance) C4'-P energy: -114.140 bonds (distance) P-C4' energy: -131.714 flat angles C4'-P-C4' energy: -141.541 flat angles P-C4'-P energy: -101.087 tors. eta vs tors. theta energy: -137.411 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: 6 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1655.923845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.923845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.923845 (E_RNA) where: Base-Base interactions energy: -1078.845 where: short stacking energy: -461.262 Base-Backbone interact. energy: -3.550 local terms energy: -573.529409 where: bonds (distance) C4'-P energy: -102.495 bonds (distance) P-C4' energy: -123.059 flat angles C4'-P-C4' energy: -151.525 flat angles P-C4'-P energy: -78.383 tors. eta vs tors. theta energy: -118.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1271.253934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.253934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.253934 (E_RNA) where: Base-Base interactions energy: -791.290 where: short stacking energy: -339.003 Base-Backbone interact. energy: -0.527 local terms energy: -479.436612 where: bonds (distance) C4'-P energy: -123.216 bonds (distance) P-C4' energy: -111.917 flat angles C4'-P-C4' energy: -115.982 flat angles P-C4'-P energy: -74.443 tors. eta vs tors. theta energy: -53.878 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: 9, replica: 10 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -1016.868432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.868432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.868432 (E_RNA) where: Base-Base interactions energy: -564.868 where: short stacking energy: -299.214 Base-Backbone interact. energy: -0.618 local terms energy: -451.382216 where: bonds (distance) C4'-P energy: -139.775 bonds (distance) P-C4' energy: -127.108 flat angles C4'-P-C4' energy: -110.154 flat angles P-C4'-P energy: -55.418 tors. eta vs tors. theta energy: -18.928 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: 10, replica: 1 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -849.939276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.939276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.939276 (E_RNA) where: Base-Base interactions energy: -442.562 where: short stacking energy: -238.005 Base-Backbone interact. energy: -0.454 local terms energy: -406.923360 where: bonds (distance) C4'-P energy: -112.020 bonds (distance) P-C4' energy: -128.139 flat angles C4'-P-C4' energy: -109.043 flat angles P-C4'-P energy: -61.714 tors. eta vs tors. theta energy: 3.993 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: 3 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -2603.080905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.080905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.080905 (E_RNA) where: Base-Base interactions energy: -1791.615 where: short stacking energy: -768.777 Base-Backbone interact. energy: -2.288 local terms energy: -809.177855 where: bonds (distance) C4'-P energy: -140.947 bonds (distance) P-C4' energy: -151.758 flat angles C4'-P-C4' energy: -175.860 flat angles P-C4'-P energy: -115.191 tors. eta vs tors. theta energy: -225.421 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: 2 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2478.205746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.205746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.205746 (E_RNA) where: Base-Base interactions energy: -1695.483 where: short stacking energy: -719.208 Base-Backbone interact. energy: -2.321 local terms energy: -780.402332 where: bonds (distance) C4'-P energy: -132.217 bonds (distance) P-C4' energy: -141.244 flat angles C4'-P-C4' energy: -172.849 flat angles P-C4'-P energy: -116.295 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: 3, replica: 7 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2351.332581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.332581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.332581 (E_RNA) where: Base-Base interactions energy: -1609.737 where: short stacking energy: -689.341 Base-Backbone interact. energy: -1.261 local terms energy: -740.333909 where: bonds (distance) C4'-P energy: -148.793 bonds (distance) P-C4' energy: -145.182 flat angles C4'-P-C4' energy: -162.200 flat angles P-C4'-P energy: -98.483 tors. eta vs tors. theta energy: -185.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2200.852147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.852147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.852147 (E_RNA) where: Base-Base interactions energy: -1500.702 where: short stacking energy: -648.692 Base-Backbone interact. energy: -2.749 local terms energy: -697.400532 where: bonds (distance) C4'-P energy: -134.264 bonds (distance) P-C4' energy: -130.787 flat angles C4'-P-C4' energy: -152.684 flat angles P-C4'-P energy: -103.511 tors. eta vs tors. theta energy: -176.154 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: 8 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2130.959389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.959389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.959389 (E_RNA) where: Base-Base interactions energy: -1441.269 where: short stacking energy: -607.849 Base-Backbone interact. energy: 1.054 local terms energy: -690.744251 where: bonds (distance) C4'-P energy: -135.859 bonds (distance) P-C4' energy: -138.773 flat angles C4'-P-C4' energy: -154.563 flat angles P-C4'-P energy: -92.894 tors. eta vs tors. theta energy: -168.655 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: 4 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1878.112335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.112335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.112335 (E_RNA) where: Base-Base interactions energy: -1278.419 where: short stacking energy: -526.914 Base-Backbone interact. energy: -4.207 local terms energy: -595.486070 where: bonds (distance) C4'-P energy: -121.004 bonds (distance) P-C4' energy: -129.534 flat angles C4'-P-C4' energy: -134.709 flat angles P-C4'-P energy: -84.162 tors. eta vs tors. theta energy: -126.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1595.113528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.113528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.113528 (E_RNA) where: Base-Base interactions energy: -1035.103 where: short stacking energy: -440.481 Base-Backbone interact. energy: 3.707 local terms energy: -563.717250 where: bonds (distance) C4'-P energy: -133.059 bonds (distance) P-C4' energy: -129.157 flat angles C4'-P-C4' energy: -131.483 flat angles P-C4'-P energy: -75.131 tors. eta vs tors. theta energy: -94.888 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: 5 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1215.157248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.157248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.157248 (E_RNA) where: Base-Base interactions energy: -715.610 where: short stacking energy: -341.939 Base-Backbone interact. energy: -1.982 local terms energy: -497.565382 where: bonds (distance) C4'-P energy: -115.580 bonds (distance) P-C4' energy: -117.945 flat angles C4'-P-C4' energy: -130.425 flat angles P-C4'-P energy: -77.365 tors. eta vs tors. theta energy: -56.251 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: 350 Temperature: 1.300000 Total energy: -1038.678644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.678644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.678644 (E_RNA) where: Base-Base interactions energy: -596.221 where: short stacking energy: -294.836 Base-Backbone interact. energy: 7.319 local terms energy: -449.776683 where: bonds (distance) C4'-P energy: -111.400 bonds (distance) P-C4' energy: -131.824 flat angles C4'-P-C4' energy: -115.363 flat angles P-C4'-P energy: -75.246 tors. eta vs tors. theta energy: -15.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -832.210588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.210588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.210588 (E_RNA) where: Base-Base interactions energy: -462.742 where: short stacking energy: -234.589 Base-Backbone interact. energy: 2.454 local terms energy: -371.921759 where: bonds (distance) C4'-P energy: -100.927 bonds (distance) P-C4' energy: -113.161 flat angles C4'-P-C4' energy: -77.125 flat angles P-C4'-P energy: -81.812 tors. eta vs tors. theta energy: 1.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2580.442586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.442586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.442586 (E_RNA) where: Base-Base interactions energy: -1772.386 where: short stacking energy: -739.438 Base-Backbone interact. energy: -3.102 local terms energy: -804.954289 where: bonds (distance) C4'-P energy: -152.232 bonds (distance) P-C4' energy: -153.385 flat angles C4'-P-C4' energy: -169.023 flat angles P-C4'-P energy: -106.609 tors. eta vs tors. theta energy: -223.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2497.492370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.492370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.492370 (E_RNA) where: Base-Base interactions energy: -1708.015 where: short stacking energy: -750.100 Base-Backbone interact. energy: -2.175 local terms energy: -787.302737 where: bonds (distance) C4'-P energy: -146.477 bonds (distance) P-C4' energy: -146.484 flat angles C4'-P-C4' energy: -175.307 flat angles P-C4'-P energy: -97.665 tors. eta vs tors. theta energy: -221.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2413.918605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.918605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.918605 (E_RNA) where: Base-Base interactions energy: -1681.296 where: short stacking energy: -687.719 Base-Backbone interact. energy: -4.369 local terms energy: -728.253599 where: bonds (distance) C4'-P energy: -140.242 bonds (distance) P-C4' energy: -156.782 flat angles C4'-P-C4' energy: -154.877 flat angles P-C4'-P energy: -92.426 tors. eta vs tors. theta energy: -183.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2195.538974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.538974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.538974 (E_RNA) where: Base-Base interactions energy: -1512.229 where: short stacking energy: -669.744 Base-Backbone interact. energy: 1.167 local terms energy: -684.477433 where: bonds (distance) C4'-P energy: -130.094 bonds (distance) P-C4' energy: -133.559 flat angles C4'-P-C4' energy: -145.356 flat angles P-C4'-P energy: -99.252 tors. eta vs tors. theta energy: -176.216 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: 351 Temperature: 1.100000 Total energy: -2158.867005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.867005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.867005 (E_RNA) where: Base-Base interactions energy: -1460.498 where: short stacking energy: -612.531 Base-Backbone interact. energy: -0.102 local terms energy: -698.267290 where: bonds (distance) C4'-P energy: -125.493 bonds (distance) P-C4' energy: -129.423 flat angles C4'-P-C4' energy: -161.942 flat angles P-C4'-P energy: -99.211 tors. eta vs tors. theta energy: -182.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1849.870005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.870005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.870005 (E_RNA) where: Base-Base interactions energy: -1235.336 where: short stacking energy: -508.292 Base-Backbone interact. energy: 2.214 local terms energy: -616.747429 where: bonds (distance) C4'-P energy: -140.064 bonds (distance) P-C4' energy: -135.628 flat angles C4'-P-C4' energy: -141.398 flat angles P-C4'-P energy: -84.166 tors. eta vs tors. theta energy: -115.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1575.921577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.921577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.921577 (E_RNA) where: Base-Base interactions energy: -979.787 where: short stacking energy: -445.927 Base-Backbone interact. energy: -0.116 local terms energy: -596.019083 where: bonds (distance) C4'-P energy: -121.600 bonds (distance) P-C4' energy: -137.625 flat angles C4'-P-C4' energy: -129.521 flat angles P-C4'-P energy: -86.720 tors. eta vs tors. theta energy: -120.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1329.003215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.003215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.003215 (E_RNA) where: Base-Base interactions energy: -800.547 where: short stacking energy: -396.034 Base-Backbone interact. energy: 1.532 local terms energy: -529.987984 where: bonds (distance) C4'-P energy: -116.044 bonds (distance) P-C4' energy: -125.869 flat angles C4'-P-C4' energy: -121.374 flat angles P-C4'-P energy: -91.414 tors. eta vs tors. theta energy: -75.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -1000.730511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.730511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.730511 (E_RNA) where: Base-Base interactions energy: -546.782 where: short stacking energy: -276.927 Base-Backbone interact. energy: 2.150 local terms energy: -456.098942 where: bonds (distance) C4'-P energy: -121.021 bonds (distance) P-C4' energy: -121.827 flat angles C4'-P-C4' energy: -117.528 flat angles P-C4'-P energy: -78.227 tors. eta vs tors. theta energy: -17.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -837.501010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.501010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.501010 (E_RNA) where: Base-Base interactions energy: -423.697 where: short stacking energy: -226.636 Base-Backbone interact. energy: -2.856 local terms energy: -410.948290 where: bonds (distance) C4'-P energy: -102.949 bonds (distance) P-C4' energy: -146.921 flat angles C4'-P-C4' energy: -131.263 flat angles P-C4'-P energy: -38.842 tors. eta vs tors. theta energy: 9.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -2591.559353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.559353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.559353 (E_RNA) where: Base-Base interactions energy: -1744.618 where: short stacking energy: -775.520 Base-Backbone interact. energy: -2.430 local terms energy: -844.511919 where: bonds (distance) C4'-P energy: -158.259 bonds (distance) P-C4' energy: -146.054 flat angles C4'-P-C4' energy: -186.130 flat angles P-C4'-P energy: -111.875 tors. eta vs tors. theta energy: -242.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2503.178666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.178666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.178666 (E_RNA) where: Base-Base interactions energy: -1736.275 where: short stacking energy: -732.530 Base-Backbone interact. energy: -0.860 local terms energy: -766.044194 where: bonds (distance) C4'-P energy: -129.994 bonds (distance) P-C4' energy: -136.779 flat angles C4'-P-C4' energy: -178.224 flat angles P-C4'-P energy: -103.280 tors. eta vs tors. theta energy: -217.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2354.229458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.229458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.229458 (E_RNA) where: Base-Base interactions energy: -1635.967 where: short stacking energy: -679.074 Base-Backbone interact. energy: -0.667 local terms energy: -717.594726 where: bonds (distance) C4'-P energy: -142.224 bonds (distance) P-C4' energy: -138.272 flat angles C4'-P-C4' energy: -156.147 flat angles P-C4'-P energy: -101.675 tors. eta vs tors. theta energy: -179.277 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: 8 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2223.135931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.135931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.135931 (E_RNA) where: Base-Base interactions energy: -1514.772 where: short stacking energy: -665.265 Base-Backbone interact. energy: 0.255 local terms energy: -708.618373 where: bonds (distance) C4'-P energy: -144.553 bonds (distance) P-C4' energy: -143.754 flat angles C4'-P-C4' energy: -144.668 flat angles P-C4'-P energy: -100.100 tors. eta vs tors. theta energy: -175.543 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: 5, replica: 9 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2109.075427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.075427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.075427 (E_RNA) where: Base-Base interactions energy: -1412.393 where: short stacking energy: -611.750 Base-Backbone interact. energy: 1.376 local terms energy: -698.058421 where: bonds (distance) C4'-P energy: -133.417 bonds (distance) P-C4' energy: -133.445 flat angles C4'-P-C4' energy: -149.327 flat angles P-C4'-P energy: -110.316 tors. eta vs tors. theta energy: -171.553 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: 4 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1877.776275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.776275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.776275 (E_RNA) where: Base-Base interactions energy: -1254.519 where: short stacking energy: -538.433 Base-Backbone interact. energy: -2.962 local terms energy: -620.294505 where: bonds (distance) C4'-P energy: -114.088 bonds (distance) P-C4' energy: -135.766 flat angles C4'-P-C4' energy: -147.313 flat angles P-C4'-P energy: -78.065 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: 7, replica: 6 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1609.436403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.436403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.436403 (E_RNA) where: Base-Base interactions energy: -1022.377 where: short stacking energy: -457.424 Base-Backbone interact. energy: 1.318 local terms energy: -588.378266 where: bonds (distance) C4'-P energy: -152.492 bonds (distance) P-C4' energy: -128.365 flat angles C4'-P-C4' energy: -124.165 flat angles P-C4'-P energy: -71.515 tors. eta vs tors. theta energy: -111.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1233.526134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.526134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.526134 (E_RNA) where: Base-Base interactions energy: -756.152 where: short stacking energy: -362.738 Base-Backbone interact. energy: 5.867 local terms energy: -483.241313 where: bonds (distance) C4'-P energy: -121.550 bonds (distance) P-C4' energy: -127.954 flat angles C4'-P-C4' energy: -122.942 flat angles P-C4'-P energy: -53.641 tors. eta vs tors. theta energy: -57.154 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: 1 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -858.010255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.010255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.010255 (E_RNA) where: Base-Base interactions energy: -458.249 where: short stacking energy: -248.910 Base-Backbone interact. energy: 4.206 local terms energy: -403.967554 where: bonds (distance) C4'-P energy: -113.158 bonds (distance) P-C4' energy: -120.004 flat angles C4'-P-C4' energy: -110.457 flat angles P-C4'-P energy: -60.371 tors. eta vs tors. theta energy: 0.023 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: 10, replica: 10 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -877.009615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.009615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.009615 (E_RNA) where: Base-Base interactions energy: -466.353 where: short stacking energy: -267.450 Base-Backbone interact. energy: -3.153 local terms energy: -407.503345 where: bonds (distance) C4'-P energy: -100.622 bonds (distance) P-C4' energy: -115.069 flat angles C4'-P-C4' energy: -104.340 flat angles P-C4'-P energy: -60.826 tors. eta vs tors. theta energy: -26.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -2627.386976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.386976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.386976 (E_RNA) where: Base-Base interactions energy: -1786.695 where: short stacking energy: -783.418 Base-Backbone interact. energy: -0.347 local terms energy: -840.344488 where: bonds (distance) C4'-P energy: -151.413 bonds (distance) P-C4' energy: -166.794 flat angles C4'-P-C4' energy: -167.857 flat angles P-C4'-P energy: -123.676 tors. eta vs tors. theta energy: -230.605 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: 2 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2485.448233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.448233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.448233 (E_RNA) where: Base-Base interactions energy: -1698.446 where: short stacking energy: -731.398 Base-Backbone interact. energy: 1.252 local terms energy: -788.254467 where: bonds (distance) C4'-P energy: -140.414 bonds (distance) P-C4' energy: -148.620 flat angles C4'-P-C4' energy: -161.547 flat angles P-C4'-P energy: -118.020 tors. eta vs tors. theta energy: -219.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2335.513629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.513629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.513629 (E_RNA) where: Base-Base interactions energy: -1618.956 where: short stacking energy: -696.323 Base-Backbone interact. energy: -1.035 local terms energy: -715.522401 where: bonds (distance) C4'-P energy: -121.435 bonds (distance) P-C4' energy: -152.759 flat angles C4'-P-C4' energy: -157.931 flat angles P-C4'-P energy: -102.806 tors. eta vs tors. theta energy: -180.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2196.773011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.773011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.773011 (E_RNA) where: Base-Base interactions energy: -1487.425 where: short stacking energy: -689.233 Base-Backbone interact. energy: -2.307 local terms energy: -707.040722 where: bonds (distance) C4'-P energy: -132.901 bonds (distance) P-C4' energy: -140.878 flat angles C4'-P-C4' energy: -153.286 flat angles P-C4'-P energy: -86.987 tors. eta vs tors. theta energy: -192.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2107.780027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.780027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.780027 (E_RNA) where: Base-Base interactions energy: -1450.990 where: short stacking energy: -605.333 Base-Backbone interact. energy: -2.024 local terms energy: -654.766864 where: bonds (distance) C4'-P energy: -119.367 bonds (distance) P-C4' energy: -134.129 flat angles C4'-P-C4' energy: -172.031 flat angles P-C4'-P energy: -79.728 tors. eta vs tors. theta energy: -149.512 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: 4 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1892.780173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.780173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.780173 (E_RNA) where: Base-Base interactions energy: -1270.873 where: short stacking energy: -555.814 Base-Backbone interact. energy: -0.764 local terms energy: -621.142670 where: bonds (distance) C4'-P energy: -128.244 bonds (distance) P-C4' energy: -118.097 flat angles C4'-P-C4' energy: -138.819 flat angles P-C4'-P energy: -90.097 tors. eta vs tors. theta energy: -145.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1658.200279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.200279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.200279 (E_RNA) where: Base-Base interactions energy: -1070.914 where: short stacking energy: -486.892 Base-Backbone interact. energy: -0.803 local terms energy: -586.483245 where: bonds (distance) C4'-P energy: -122.428 bonds (distance) P-C4' energy: -148.604 flat angles C4'-P-C4' energy: -126.323 flat angles P-C4'-P energy: -78.162 tors. eta vs tors. theta energy: -110.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1239.238338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.238338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.238338 (E_RNA) where: Base-Base interactions energy: -736.351 where: short stacking energy: -362.498 Base-Backbone interact. energy: -1.652 local terms energy: -501.235615 where: bonds (distance) C4'-P energy: -127.800 bonds (distance) P-C4' energy: -122.707 flat angles C4'-P-C4' energy: -134.782 flat angles P-C4'-P energy: -61.724 tors. eta vs tors. theta energy: -54.222 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: 9, replica: 1 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -873.083719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.083719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.083719 (E_RNA) where: Base-Base interactions energy: -439.646 where: short stacking energy: -254.995 Base-Backbone interact. energy: 1.051 local terms energy: -434.489173 where: bonds (distance) C4'-P energy: -126.497 bonds (distance) P-C4' energy: -128.159 flat angles C4'-P-C4' energy: -109.414 flat angles P-C4'-P energy: -68.765 tors. eta vs tors. theta energy: -1.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -891.206323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.206323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.206323 (E_RNA) where: Base-Base interactions energy: -480.878 where: short stacking energy: -258.648 Base-Backbone interact. energy: 0.215 local terms energy: -410.542923 where: bonds (distance) C4'-P energy: -97.042 bonds (distance) P-C4' energy: -124.103 flat angles C4'-P-C4' energy: -110.980 flat angles P-C4'-P energy: -65.649 tors. eta vs tors. theta energy: -12.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -2629.191706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.191706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.191706 (E_RNA) where: Base-Base interactions energy: -1801.995 where: short stacking energy: -773.137 Base-Backbone interact. energy: -1.218 local terms energy: -825.978207 where: bonds (distance) C4'-P energy: -134.981 bonds (distance) P-C4' energy: -160.486 flat angles C4'-P-C4' energy: -175.840 flat angles P-C4'-P energy: -116.691 tors. eta vs tors. theta energy: -237.980 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: 2, replica: 2 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2514.143922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.143922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.143922 (E_RNA) where: Base-Base interactions energy: -1737.536 where: short stacking energy: -743.070 Base-Backbone interact. energy: 2.574 local terms energy: -779.181444 where: bonds (distance) C4'-P energy: -126.183 bonds (distance) P-C4' energy: -147.626 flat angles C4'-P-C4' energy: -171.116 flat angles P-C4'-P energy: -115.226 tors. eta vs tors. theta energy: -219.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2352.005780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.005780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.005780 (E_RNA) where: Base-Base interactions energy: -1616.543 where: short stacking energy: -683.047 Base-Backbone interact. energy: -2.022 local terms energy: -733.440135 where: bonds (distance) C4'-P energy: -136.154 bonds (distance) P-C4' energy: -155.695 flat angles C4'-P-C4' energy: -160.038 flat angles P-C4'-P energy: -108.679 tors. eta vs tors. theta energy: -172.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2117.783891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.783891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.783891 (E_RNA) where: Base-Base interactions energy: -1411.550 where: short stacking energy: -616.434 Base-Backbone interact. energy: -3.473 local terms energy: -702.761006 where: bonds (distance) C4'-P energy: -141.367 bonds (distance) P-C4' energy: -139.598 flat angles C4'-P-C4' energy: -148.949 flat angles P-C4'-P energy: -96.142 tors. eta vs tors. theta energy: -176.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2166.020815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.020815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.020815 (E_RNA) where: Base-Base interactions energy: -1460.250 where: short stacking energy: -646.202 Base-Backbone interact. energy: -2.577 local terms energy: -703.193738 where: bonds (distance) C4'-P energy: -133.544 bonds (distance) P-C4' energy: -143.752 flat angles C4'-P-C4' energy: -148.824 flat angles P-C4'-P energy: -108.061 tors. eta vs tors. theta energy: -169.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1920.694940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.694940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.694940 (E_RNA) where: Base-Base interactions energy: -1302.414 where: short stacking energy: -528.042 Base-Backbone interact. energy: 2.564 local terms energy: -620.845466 where: bonds (distance) C4'-P energy: -128.976 bonds (distance) P-C4' energy: -136.953 flat angles C4'-P-C4' energy: -140.410 flat angles P-C4'-P energy: -72.849 tors. eta vs tors. theta energy: -141.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1611.372895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.372895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.372895 (E_RNA) where: Base-Base interactions energy: -1049.993 where: short stacking energy: -468.798 Base-Backbone interact. energy: -1.223 local terms energy: -560.156934 where: bonds (distance) C4'-P energy: -109.708 bonds (distance) P-C4' energy: -131.769 flat angles C4'-P-C4' energy: -114.709 flat angles P-C4'-P energy: -88.859 tors. eta vs tors. theta energy: -115.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1274.468158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.468158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.468158 (E_RNA) where: Base-Base interactions energy: -780.683 where: short stacking energy: -387.886 Base-Backbone interact. energy: -0.970 local terms energy: -492.815189 where: bonds (distance) C4'-P energy: -117.715 bonds (distance) P-C4' energy: -117.963 flat angles C4'-P-C4' energy: -118.725 flat angles P-C4'-P energy: -62.810 tors. eta vs tors. theta energy: -75.601 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: 9, replica: 10 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -945.249412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.249412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.249412 (E_RNA) where: Base-Base interactions energy: -519.237 where: short stacking energy: -268.968 Base-Backbone interact. energy: 1.843 local terms energy: -427.855347 where: bonds (distance) C4'-P energy: -127.119 bonds (distance) P-C4' energy: -121.668 flat angles C4'-P-C4' energy: -102.624 flat angles P-C4'-P energy: -56.025 tors. eta vs tors. theta energy: -20.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -828.515253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.515253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.515253 (E_RNA) where: Base-Base interactions energy: -434.862 where: short stacking energy: -226.638 Base-Backbone interact. energy: -1.552 local terms energy: -392.101235 where: bonds (distance) C4'-P energy: -116.639 bonds (distance) P-C4' energy: -105.351 flat angles C4'-P-C4' energy: -110.953 flat angles P-C4'-P energy: -67.162 tors. eta vs tors. theta energy: 8.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -2610.730263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.730263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.730263 (E_RNA) where: Base-Base interactions energy: -1798.403 where: short stacking energy: -769.090 Base-Backbone interact. energy: -2.530 local terms energy: -809.797352 where: bonds (distance) C4'-P energy: -153.940 bonds (distance) P-C4' energy: -143.832 flat angles C4'-P-C4' energy: -170.219 flat angles P-C4'-P energy: -103.158 tors. eta vs tors. theta energy: -238.649 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: 2, replica: 2 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2476.673565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.673565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.673565 (E_RNA) where: Base-Base interactions energy: -1725.920 where: short stacking energy: -730.106 Base-Backbone interact. energy: 3.299 local terms energy: -754.052021 where: bonds (distance) C4'-P energy: -131.224 bonds (distance) P-C4' energy: -141.809 flat angles C4'-P-C4' energy: -155.833 flat angles P-C4'-P energy: -107.732 tors. eta vs tors. theta energy: -217.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2337.732940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.732940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.732940 (E_RNA) where: Base-Base interactions energy: -1614.837 where: short stacking energy: -669.393 Base-Backbone interact. energy: -4.842 local terms energy: -718.053667 where: bonds (distance) C4'-P energy: -138.759 bonds (distance) P-C4' energy: -136.845 flat angles C4'-P-C4' energy: -167.187 flat angles P-C4'-P energy: -102.232 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: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2179.593496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.593496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.593496 (E_RNA) where: Base-Base interactions energy: -1465.413 where: short stacking energy: -653.773 Base-Backbone interact. energy: -3.039 local terms energy: -711.141621 where: bonds (distance) C4'-P energy: -127.677 bonds (distance) P-C4' energy: -145.653 flat angles C4'-P-C4' energy: -160.592 flat angles P-C4'-P energy: -105.003 tors. eta vs tors. theta energy: -172.217 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: 9 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2095.503111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.503111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.503111 (E_RNA) where: Base-Base interactions energy: -1435.828 where: short stacking energy: -594.100 Base-Backbone interact. energy: -2.345 local terms energy: -657.329926 where: bonds (distance) C4'-P energy: -133.140 bonds (distance) P-C4' energy: -115.656 flat angles C4'-P-C4' energy: -162.302 flat angles P-C4'-P energy: -85.120 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: 6, replica: 4 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1863.434324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.434324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.434324 (E_RNA) where: Base-Base interactions energy: -1240.822 where: short stacking energy: -519.907 Base-Backbone interact. energy: 0.446 local terms energy: -623.057610 where: bonds (distance) C4'-P energy: -140.992 bonds (distance) P-C4' energy: -137.751 flat angles C4'-P-C4' energy: -133.269 flat angles P-C4'-P energy: -87.784 tors. eta vs tors. theta energy: -123.262 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: 6 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1640.209291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.209291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.209291 (E_RNA) where: Base-Base interactions energy: -1056.878 where: short stacking energy: -454.368 Base-Backbone interact. energy: -2.047 local terms energy: -581.284104 where: bonds (distance) C4'-P energy: -139.903 bonds (distance) P-C4' energy: -132.763 flat angles C4'-P-C4' energy: -114.543 flat angles P-C4'-P energy: -89.356 tors. eta vs tors. theta energy: -104.719 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: 5 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1257.128510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.128510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.128510 (E_RNA) where: Base-Base interactions energy: -765.943 where: short stacking energy: -386.093 Base-Backbone interact. energy: -2.651 local terms energy: -488.534211 where: bonds (distance) C4'-P energy: -117.617 bonds (distance) P-C4' energy: -120.985 flat angles C4'-P-C4' energy: -118.383 flat angles P-C4'-P energy: -73.681 tors. eta vs tors. theta energy: -57.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -965.748237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.748237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.748237 (E_RNA) where: Base-Base interactions energy: -519.909 where: short stacking energy: -254.226 Base-Backbone interact. energy: -5.019 local terms energy: -440.820917 where: bonds (distance) C4'-P energy: -120.043 bonds (distance) P-C4' energy: -123.688 flat angles C4'-P-C4' energy: -110.608 flat angles P-C4'-P energy: -67.649 tors. eta vs tors. theta energy: -18.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -891.655515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.655515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.655515 (E_RNA) where: Base-Base interactions energy: -504.576 where: short stacking energy: -253.120 Base-Backbone interact. energy: 4.992 local terms energy: -392.070776 where: bonds (distance) C4'-P energy: -99.893 bonds (distance) P-C4' energy: -138.933 flat angles C4'-P-C4' energy: -102.110 flat angles P-C4'-P energy: -51.058 tors. eta vs tors. theta energy: -0.076 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: 1, replica: 3 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -2656.108871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.108871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.108871 (E_RNA) where: Base-Base interactions energy: -1801.352 where: short stacking energy: -782.651 Base-Backbone interact. energy: -0.304 local terms energy: -854.453547 where: bonds (distance) C4'-P energy: -153.085 bonds (distance) P-C4' energy: -157.132 flat angles C4'-P-C4' energy: -175.589 flat angles P-C4'-P energy: -128.714 tors. eta vs tors. theta energy: -239.933 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: 2, replica: 2 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2505.832865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.832865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.832865 (E_RNA) where: Base-Base interactions energy: -1722.163 where: short stacking energy: -739.267 Base-Backbone interact. energy: 1.797 local terms energy: -785.467012 where: bonds (distance) C4'-P energy: -129.738 bonds (distance) P-C4' energy: -151.790 flat angles C4'-P-C4' energy: -167.535 flat angles P-C4'-P energy: -126.746 tors. eta vs tors. theta energy: -209.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2343.088265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.088265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.088265 (E_RNA) where: Base-Base interactions energy: -1627.192 where: short stacking energy: -670.959 Base-Backbone interact. energy: 2.146 local terms energy: -718.042092 where: bonds (distance) C4'-P energy: -153.963 bonds (distance) P-C4' energy: -134.961 flat angles C4'-P-C4' energy: -161.283 flat angles P-C4'-P energy: -81.071 tors. eta vs tors. theta energy: -186.764 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: 8 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2240.167931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.167931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.167931 (E_RNA) where: Base-Base interactions energy: -1525.696 where: short stacking energy: -674.939 Base-Backbone interact. energy: -4.134 local terms energy: -710.338007 where: bonds (distance) C4'-P energy: -138.960 bonds (distance) P-C4' energy: -126.419 flat angles C4'-P-C4' energy: -144.175 flat angles P-C4'-P energy: -114.920 tors. eta vs tors. theta energy: -185.864 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: 356 Temperature: 1.100000 Total energy: -2162.513149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.513149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.513149 (E_RNA) where: Base-Base interactions energy: -1446.872 where: short stacking energy: -661.603 Base-Backbone interact. energy: 0.328 local terms energy: -715.969412 where: bonds (distance) C4'-P energy: -121.949 bonds (distance) P-C4' energy: -150.883 flat angles C4'-P-C4' energy: -150.981 flat angles P-C4'-P energy: -101.645 tors. eta vs tors. theta energy: -190.512 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: 4 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1793.338848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.338848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.338848 (E_RNA) where: Base-Base interactions energy: -1203.298 where: short stacking energy: -503.955 Base-Backbone interact. energy: -2.323 local terms energy: -587.717202 where: bonds (distance) C4'-P energy: -125.663 bonds (distance) P-C4' energy: -117.531 flat angles C4'-P-C4' energy: -140.602 flat angles P-C4'-P energy: -82.079 tors. eta vs tors. theta energy: -121.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1609.057344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.057344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.057344 (E_RNA) where: Base-Base interactions energy: -1020.594 where: short stacking energy: -445.686 Base-Backbone interact. energy: 1.809 local terms energy: -590.272343 where: bonds (distance) C4'-P energy: -123.952 bonds (distance) P-C4' energy: -140.185 flat angles C4'-P-C4' energy: -134.775 flat angles P-C4'-P energy: -90.162 tors. eta vs tors. theta energy: -101.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1325.804309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.804309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.804309 (E_RNA) where: Base-Base interactions energy: -812.344 where: short stacking energy: -371.064 Base-Backbone interact. energy: 4.649 local terms energy: -518.108746 where: bonds (distance) C4'-P energy: -106.383 bonds (distance) P-C4' energy: -142.715 flat angles C4'-P-C4' energy: -128.793 flat angles P-C4'-P energy: -64.002 tors. eta vs tors. theta energy: -76.215 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: 356 Temperature: 1.300000 Total energy: -1014.799188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.799188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.799188 (E_RNA) where: Base-Base interactions energy: -557.509 where: short stacking energy: -278.056 Base-Backbone interact. energy: 2.025 local terms energy: -459.315448 where: bonds (distance) C4'-P energy: -118.463 bonds (distance) P-C4' energy: -127.493 flat angles C4'-P-C4' energy: -108.181 flat angles P-C4'-P energy: -72.208 tors. eta vs tors. theta energy: -32.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -903.723974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.723974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.723974 (E_RNA) where: Base-Base interactions energy: -500.873 where: short stacking energy: -250.248 Base-Backbone interact. energy: 3.646 local terms energy: -406.496748 where: bonds (distance) C4'-P energy: -114.958 bonds (distance) P-C4' energy: -120.897 flat angles C4'-P-C4' energy: -107.294 flat angles P-C4'-P energy: -55.680 tors. eta vs tors. theta energy: -7.668 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: 3 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -2640.800316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.800316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.800316 (E_RNA) where: Base-Base interactions energy: -1830.818 where: short stacking energy: -809.477 Base-Backbone interact. energy: -2.385 local terms energy: -807.596837 where: bonds (distance) C4'-P energy: -144.981 bonds (distance) P-C4' energy: -152.156 flat angles C4'-P-C4' energy: -176.486 flat angles P-C4'-P energy: -94.894 tors. eta vs tors. theta energy: -239.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2522.495767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.495767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.495767 (E_RNA) where: Base-Base interactions energy: -1723.428 where: short stacking energy: -762.871 Base-Backbone interact. energy: -0.146 local terms energy: -798.921507 where: bonds (distance) C4'-P energy: -146.414 bonds (distance) P-C4' energy: -154.195 flat angles C4'-P-C4' energy: -172.934 flat angles P-C4'-P energy: -107.549 tors. eta vs tors. theta energy: -217.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2365.556678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.556678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.556678 (E_RNA) where: Base-Base interactions energy: -1631.693 where: short stacking energy: -679.048 Base-Backbone interact. energy: 2.982 local terms energy: -736.845826 where: bonds (distance) C4'-P energy: -136.261 bonds (distance) P-C4' energy: -144.274 flat angles C4'-P-C4' energy: -175.495 flat angles P-C4'-P energy: -97.087 tors. eta vs tors. theta energy: -183.728 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: 8 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2206.551568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.551568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.551568 (E_RNA) where: Base-Base interactions energy: -1496.679 where: short stacking energy: -670.089 Base-Backbone interact. energy: -0.637 local terms energy: -709.235225 where: bonds (distance) C4'-P energy: -130.872 bonds (distance) P-C4' energy: -142.020 flat angles C4'-P-C4' energy: -157.762 flat angles P-C4'-P energy: -89.914 tors. eta vs tors. theta energy: -188.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2141.345381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.345381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.345381 (E_RNA) where: Base-Base interactions energy: -1457.477 where: short stacking energy: -606.034 Base-Backbone interact. energy: -2.833 local terms energy: -681.035319 where: bonds (distance) C4'-P energy: -125.776 bonds (distance) P-C4' energy: -139.055 flat angles C4'-P-C4' energy: -141.636 flat angles P-C4'-P energy: -97.568 tors. eta vs tors. theta energy: -177.001 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: 4 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1793.862769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.862769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.862769 (E_RNA) where: Base-Base interactions energy: -1179.588 where: short stacking energy: -490.637 Base-Backbone interact. energy: -1.320 local terms energy: -612.954125 where: bonds (distance) C4'-P energy: -129.510 bonds (distance) P-C4' energy: -149.147 flat angles C4'-P-C4' energy: -130.285 flat angles P-C4'-P energy: -86.555 tors. eta vs tors. theta energy: -117.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1642.346854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.346854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.346854 (E_RNA) where: Base-Base interactions energy: -1077.871 where: short stacking energy: -494.272 Base-Backbone interact. energy: 2.106 local terms energy: -566.582760 where: bonds (distance) C4'-P energy: -133.434 bonds (distance) P-C4' energy: -115.885 flat angles C4'-P-C4' energy: -126.751 flat angles P-C4'-P energy: -77.865 tors. eta vs tors. theta energy: -112.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1293.310250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.310250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.310250 (E_RNA) where: Base-Base interactions energy: -810.275 where: short stacking energy: -376.198 Base-Backbone interact. energy: 3.227 local terms energy: -486.261666 where: bonds (distance) C4'-P energy: -117.049 bonds (distance) P-C4' energy: -104.383 flat angles C4'-P-C4' energy: -125.767 flat angles P-C4'-P energy: -66.319 tors. eta vs tors. theta energy: -72.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -970.703427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.703427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.703427 (E_RNA) where: Base-Base interactions energy: -500.535 where: short stacking energy: -267.158 Base-Backbone interact. energy: -3.316 local terms energy: -466.852555 where: bonds (distance) C4'-P energy: -114.230 bonds (distance) P-C4' energy: -135.693 flat angles C4'-P-C4' energy: -119.021 flat angles P-C4'-P energy: -86.519 tors. eta vs tors. theta energy: -11.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -929.131651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.131651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.131651 (E_RNA) where: Base-Base interactions energy: -533.765 where: short stacking energy: -256.444 Base-Backbone interact. energy: 6.165 local terms energy: -401.531283 where: bonds (distance) C4'-P energy: -93.854 bonds (distance) P-C4' energy: -130.074 flat angles C4'-P-C4' energy: -105.981 flat angles P-C4'-P energy: -70.078 tors. eta vs tors. theta energy: -1.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -2609.126912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.126912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.126912 (E_RNA) where: Base-Base interactions energy: -1799.164 where: short stacking energy: -748.141 Base-Backbone interact. energy: -0.322 local terms energy: -809.682387 where: bonds (distance) C4'-P energy: -151.199 bonds (distance) P-C4' energy: -151.999 flat angles C4'-P-C4' energy: -164.030 flat angles P-C4'-P energy: -117.990 tors. eta vs tors. theta energy: -224.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.042 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2520.462319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.462319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.462319 (E_RNA) where: Base-Base interactions energy: -1729.793 where: short stacking energy: -746.687 Base-Backbone interact. energy: -1.409 local terms energy: -789.259762 where: bonds (distance) C4'-P energy: -140.985 bonds (distance) P-C4' energy: -150.057 flat angles C4'-P-C4' energy: -159.410 flat angles P-C4'-P energy: -109.283 tors. eta vs tors. theta energy: -229.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2467.347817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.347817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.347817 (E_RNA) where: Base-Base interactions energy: -1686.084 where: short stacking energy: -696.413 Base-Backbone interact. energy: -3.420 local terms energy: -777.843345 where: bonds (distance) C4'-P energy: -144.496 bonds (distance) P-C4' energy: -138.697 flat angles C4'-P-C4' energy: -172.788 flat angles P-C4'-P energy: -119.468 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: 8 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2258.491913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.491913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.491913 (E_RNA) where: Base-Base interactions energy: -1540.123 where: short stacking energy: -681.271 Base-Backbone interact. energy: -4.012 local terms energy: -714.356992 where: bonds (distance) C4'-P energy: -137.837 bonds (distance) P-C4' energy: -142.548 flat angles C4'-P-C4' energy: -157.190 flat angles P-C4'-P energy: -93.371 tors. eta vs tors. theta energy: -183.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2186.796058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.796058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.796058 (E_RNA) where: Base-Base interactions energy: -1490.251 where: short stacking energy: -655.009 Base-Backbone interact. energy: -0.639 local terms energy: -695.905868 where: bonds (distance) C4'-P energy: -127.819 bonds (distance) P-C4' energy: -137.275 flat angles C4'-P-C4' energy: -151.768 flat angles P-C4'-P energy: -96.892 tors. eta vs tors. theta energy: -182.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1801.132233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.132233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.132233 (E_RNA) where: Base-Base interactions energy: -1225.116 where: short stacking energy: -532.989 Base-Backbone interact. energy: 4.207 local terms energy: -580.383646 where: bonds (distance) C4'-P energy: -114.196 bonds (distance) P-C4' energy: -115.949 flat angles C4'-P-C4' energy: -146.647 flat angles P-C4'-P energy: -79.649 tors. eta vs tors. theta energy: -123.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.160 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1671.146680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.146680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.146680 (E_RNA) where: Base-Base interactions energy: -1066.177 where: short stacking energy: -484.626 Base-Backbone interact. energy: -1.753 local terms energy: -603.216375 where: bonds (distance) C4'-P energy: -138.211 bonds (distance) P-C4' energy: -131.503 flat angles C4'-P-C4' energy: -136.178 flat angles P-C4'-P energy: -80.628 tors. eta vs tors. theta energy: -116.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1320.753722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.753722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.753722 (E_RNA) where: Base-Base interactions energy: -819.619 where: short stacking energy: -374.704 Base-Backbone interact. energy: 1.940 local terms energy: -503.074732 where: bonds (distance) C4'-P energy: -114.373 bonds (distance) P-C4' energy: -133.286 flat angles C4'-P-C4' energy: -110.596 flat angles P-C4'-P energy: -81.307 tors. eta vs tors. theta energy: -63.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -971.510516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.510516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.510516 (E_RNA) where: Base-Base interactions energy: -531.537 where: short stacking energy: -274.027 Base-Backbone interact. energy: -1.998 local terms energy: -437.975156 where: bonds (distance) C4'-P energy: -122.071 bonds (distance) P-C4' energy: -112.614 flat angles C4'-P-C4' energy: -101.727 flat angles P-C4'-P energy: -72.674 tors. eta vs tors. theta energy: -28.889 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: 1 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -944.776926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.776926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.776926 (E_RNA) where: Base-Base interactions energy: -499.714 where: short stacking energy: -270.290 Base-Backbone interact. energy: 1.451 local terms energy: -446.514398 where: bonds (distance) C4'-P energy: -111.515 bonds (distance) P-C4' energy: -101.900 flat angles C4'-P-C4' energy: -122.560 flat angles P-C4'-P energy: -81.135 tors. eta vs tors. theta energy: -29.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -2610.856154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.856154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.856154 (E_RNA) where: Base-Base interactions energy: -1775.605 where: short stacking energy: -775.474 Base-Backbone interact. energy: -2.724 local terms energy: -832.527030 where: bonds (distance) C4'-P energy: -150.807 bonds (distance) P-C4' energy: -152.883 flat angles C4'-P-C4' energy: -176.648 flat angles P-C4'-P energy: -111.664 tors. eta vs tors. theta energy: -240.526 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: 2 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2531.666096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.666096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.666096 (E_RNA) where: Base-Base interactions energy: -1743.607 where: short stacking energy: -746.654 Base-Backbone interact. energy: 0.003 local terms energy: -788.061574 where: bonds (distance) C4'-P energy: -145.091 bonds (distance) P-C4' energy: -147.959 flat angles C4'-P-C4' energy: -167.251 flat angles P-C4'-P energy: -116.100 tors. eta vs tors. theta energy: -211.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2380.851369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.851369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.851369 (E_RNA) where: Base-Base interactions energy: -1673.559 where: short stacking energy: -700.036 Base-Backbone interact. energy: -0.959 local terms energy: -706.333934 where: bonds (distance) C4'-P energy: -144.613 bonds (distance) P-C4' energy: -127.621 flat angles C4'-P-C4' energy: -159.054 flat angles P-C4'-P energy: -90.287 tors. eta vs tors. theta energy: -184.760 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: 8 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2260.222038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.222038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.222038 (E_RNA) where: Base-Base interactions energy: -1562.594 where: short stacking energy: -649.660 Base-Backbone interact. energy: -2.651 local terms energy: -694.977511 where: bonds (distance) C4'-P energy: -127.068 bonds (distance) P-C4' energy: -138.333 flat angles C4'-P-C4' energy: -155.347 flat angles P-C4'-P energy: -104.025 tors. eta vs tors. theta energy: -170.204 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: 9 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2143.185484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.185484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.185484 (E_RNA) where: Base-Base interactions energy: -1426.804 where: short stacking energy: -602.421 Base-Backbone interact. energy: -2.380 local terms energy: -714.001969 where: bonds (distance) C4'-P energy: -128.097 bonds (distance) P-C4' energy: -137.954 flat angles C4'-P-C4' energy: -160.395 flat angles P-C4'-P energy: -119.688 tors. eta vs tors. theta energy: -167.868 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: 4 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1824.881722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.881722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.881722 (E_RNA) where: Base-Base interactions energy: -1213.736 where: short stacking energy: -510.537 Base-Backbone interact. energy: 5.387 local terms energy: -616.532796 where: bonds (distance) C4'-P energy: -126.601 bonds (distance) P-C4' energy: -135.354 flat angles C4'-P-C4' energy: -123.996 flat angles P-C4'-P energy: -90.321 tors. eta vs tors. theta energy: -140.261 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: 359 Temperature: 1.200000 Total energy: -1644.444128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.444128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.444128 (E_RNA) where: Base-Base interactions energy: -1039.793 where: short stacking energy: -433.878 Base-Backbone interact. energy: -1.285 local terms energy: -603.366154 where: bonds (distance) C4'-P energy: -130.553 bonds (distance) P-C4' energy: -131.514 flat angles C4'-P-C4' energy: -134.256 flat angles P-C4'-P energy: -90.727 tors. eta vs tors. theta energy: -116.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1348.880865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.880865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.880865 (E_RNA) where: Base-Base interactions energy: -821.888 where: short stacking energy: -402.860 Base-Backbone interact. energy: 0.810 local terms energy: -527.802265 where: bonds (distance) C4'-P energy: -111.659 bonds (distance) P-C4' energy: -134.370 flat angles C4'-P-C4' energy: -128.843 flat angles P-C4'-P energy: -67.826 tors. eta vs tors. theta energy: -85.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -949.709978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.709978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.709978 (E_RNA) where: Base-Base interactions energy: -535.591 where: short stacking energy: -300.675 Base-Backbone interact. energy: 1.972 local terms energy: -416.090836 where: bonds (distance) C4'-P energy: -106.612 bonds (distance) P-C4' energy: -114.556 flat angles C4'-P-C4' energy: -107.062 flat angles P-C4'-P energy: -49.675 tors. eta vs tors. theta energy: -38.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -902.598676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.598676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.598676 (E_RNA) where: Base-Base interactions energy: -492.664 where: short stacking energy: -220.577 Base-Backbone interact. energy: -2.425 local terms energy: -407.509229 where: bonds (distance) C4'-P energy: -116.152 bonds (distance) P-C4' energy: -129.047 flat angles C4'-P-C4' energy: -104.711 flat angles P-C4'-P energy: -63.178 tors. eta vs tors. theta energy: 5.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -2625.313509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.313509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.313509 (E_RNA) where: Base-Base interactions energy: -1798.740 where: short stacking energy: -779.891 Base-Backbone interact. energy: -4.666 local terms energy: -821.907774 where: bonds (distance) C4'-P energy: -133.247 bonds (distance) P-C4' energy: -156.413 flat angles C4'-P-C4' energy: -176.885 flat angles P-C4'-P energy: -120.603 tors. eta vs tors. theta energy: -234.759 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: 2, replica: 2 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2514.242624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.242624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.242624 (E_RNA) where: Base-Base interactions energy: -1722.072 where: short stacking energy: -738.946 Base-Backbone interact. energy: 0.080 local terms energy: -792.250593 where: bonds (distance) C4'-P energy: -146.925 bonds (distance) P-C4' energy: -149.136 flat angles C4'-P-C4' energy: -175.773 flat angles P-C4'-P energy: -106.581 tors. eta vs tors. theta energy: -213.836 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: 3, replica: 7 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2383.764806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.764806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.764806 (E_RNA) where: Base-Base interactions energy: -1655.752 where: short stacking energy: -682.683 Base-Backbone interact. energy: -2.303 local terms energy: -725.710106 where: bonds (distance) C4'-P energy: -142.762 bonds (distance) P-C4' energy: -129.055 flat angles C4'-P-C4' energy: -162.127 flat angles P-C4'-P energy: -111.889 tors. eta vs tors. theta energy: -179.876 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: 8 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2267.491676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.491676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.491676 (E_RNA) where: Base-Base interactions energy: -1545.737 where: short stacking energy: -647.431 Base-Backbone interact. energy: -7.135 local terms energy: -714.620161 where: bonds (distance) C4'-P energy: -148.186 bonds (distance) P-C4' energy: -116.027 flat angles C4'-P-C4' energy: -163.118 flat angles P-C4'-P energy: -100.661 tors. eta vs tors. theta energy: -186.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2165.534983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.534983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.534983 (E_RNA) where: Base-Base interactions energy: -1475.383 where: short stacking energy: -620.160 Base-Backbone interact. energy: -2.027 local terms energy: -688.125088 where: bonds (distance) C4'-P energy: -128.312 bonds (distance) P-C4' energy: -137.859 flat angles C4'-P-C4' energy: -155.554 flat angles P-C4'-P energy: -97.376 tors. eta vs tors. theta energy: -169.025 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: 4 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1814.832971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.832971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.832971 (E_RNA) where: Base-Base interactions energy: -1182.489 where: short stacking energy: -489.494 Base-Backbone interact. energy: -4.182 local terms energy: -628.161947 where: bonds (distance) C4'-P energy: -140.164 bonds (distance) P-C4' energy: -148.548 flat angles C4'-P-C4' energy: -142.853 flat angles P-C4'-P energy: -94.671 tors. eta vs tors. theta energy: -101.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1672.251700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.251700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.251700 (E_RNA) where: Base-Base interactions energy: -1090.258 where: short stacking energy: -462.847 Base-Backbone interact. energy: 3.602 local terms energy: -585.595584 where: bonds (distance) C4'-P energy: -113.718 bonds (distance) P-C4' energy: -123.823 flat angles C4'-P-C4' energy: -141.158 flat angles P-C4'-P energy: -97.458 tors. eta vs tors. theta energy: -109.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1318.495223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.495223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.495223 (E_RNA) where: Base-Base interactions energy: -806.193 where: short stacking energy: -371.623 Base-Backbone interact. energy: -2.485 local terms energy: -509.817294 where: bonds (distance) C4'-P energy: -116.929 bonds (distance) P-C4' energy: -121.633 flat angles C4'-P-C4' energy: -128.240 flat angles P-C4'-P energy: -75.623 tors. eta vs tors. theta energy: -67.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -961.766958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.766958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.766958 (E_RNA) where: Base-Base interactions energy: -529.128 where: short stacking energy: -293.504 Base-Backbone interact. energy: -0.070 local terms energy: -432.568482 where: bonds (distance) C4'-P energy: -118.398 bonds (distance) P-C4' energy: -122.362 flat angles C4'-P-C4' energy: -106.137 flat angles P-C4'-P energy: -53.294 tors. eta vs tors. theta energy: -32.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -839.429323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.429323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.429323 (E_RNA) where: Base-Base interactions energy: -409.563 where: short stacking energy: -222.739 Base-Backbone interact. energy: -1.794 local terms energy: -428.072264 where: bonds (distance) C4'-P energy: -137.631 bonds (distance) P-C4' energy: -119.474 flat angles C4'-P-C4' energy: -115.465 flat angles P-C4'-P energy: -62.619 tors. eta vs tors. theta energy: 7.117 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: 3 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -2588.578124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.578124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.578124 (E_RNA) where: Base-Base interactions energy: -1779.485 where: short stacking energy: -773.084 Base-Backbone interact. energy: -2.208 local terms energy: -806.939005 where: bonds (distance) C4'-P energy: -152.977 bonds (distance) P-C4' energy: -139.627 flat angles C4'-P-C4' energy: -164.753 flat angles P-C4'-P energy: -126.620 tors. eta vs tors. theta energy: -222.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.054 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2509.771710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.771710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.771710 (E_RNA) where: Base-Base interactions energy: -1755.202 where: short stacking energy: -726.938 Base-Backbone interact. energy: 3.633 local terms energy: -758.203236 where: bonds (distance) C4'-P energy: -127.225 bonds (distance) P-C4' energy: -139.286 flat angles C4'-P-C4' energy: -179.452 flat angles P-C4'-P energy: -107.759 tors. eta vs tors. theta energy: -204.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2385.181294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.181294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.181294 (E_RNA) where: Base-Base interactions energy: -1661.261 where: short stacking energy: -675.236 Base-Backbone interact. energy: -1.248 local terms energy: -722.671629 where: bonds (distance) C4'-P energy: -132.757 bonds (distance) P-C4' energy: -145.099 flat angles C4'-P-C4' energy: -160.297 flat angles P-C4'-P energy: -96.183 tors. eta vs tors. theta energy: -188.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2286.402576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.402576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.402576 (E_RNA) where: Base-Base interactions energy: -1558.911 where: short stacking energy: -651.587 Base-Backbone interact. energy: -4.109 local terms energy: -723.382225 where: bonds (distance) C4'-P energy: -143.981 bonds (distance) P-C4' energy: -145.161 flat angles C4'-P-C4' energy: -157.620 flat angles P-C4'-P energy: -89.902 tors. eta vs tors. theta energy: -186.718 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: 9 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2166.906128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.906128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.906128 (E_RNA) where: Base-Base interactions energy: -1461.141 where: short stacking energy: -610.973 Base-Backbone interact. energy: 2.683 local terms energy: -708.448322 where: bonds (distance) C4'-P energy: -138.123 bonds (distance) P-C4' energy: -132.969 flat angles C4'-P-C4' energy: -153.698 flat angles P-C4'-P energy: -106.213 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: 6, replica: 4 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1834.855642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.855642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.855642 (E_RNA) where: Base-Base interactions energy: -1221.982 where: short stacking energy: -522.388 Base-Backbone interact. energy: 0.497 local terms energy: -613.370467 where: bonds (distance) C4'-P energy: -119.820 bonds (distance) P-C4' energy: -131.623 flat angles C4'-P-C4' energy: -135.925 flat angles P-C4'-P energy: -94.706 tors. eta vs tors. theta energy: -131.297 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: 361 Temperature: 1.200000 Total energy: -1613.002491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.002491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.002491 (E_RNA) where: Base-Base interactions energy: -1034.226 where: short stacking energy: -431.326 Base-Backbone interact. energy: -1.666 local terms energy: -577.109966 where: bonds (distance) C4'-P energy: -124.243 bonds (distance) P-C4' energy: -129.667 flat angles C4'-P-C4' energy: -142.752 flat angles P-C4'-P energy: -83.800 tors. eta vs tors. theta energy: -96.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1297.632604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.632604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.632604 (E_RNA) where: Base-Base interactions energy: -785.699 where: short stacking energy: -358.765 Base-Backbone interact. energy: -3.043 local terms energy: -508.890212 where: bonds (distance) C4'-P energy: -133.132 bonds (distance) P-C4' energy: -132.482 flat angles C4'-P-C4' energy: -116.825 flat angles P-C4'-P energy: -73.908 tors. eta vs tors. theta energy: -52.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -933.417413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.417413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.417413 (E_RNA) where: Base-Base interactions energy: -482.539 where: short stacking energy: -230.432 Base-Backbone interact. energy: -1.570 local terms energy: -449.309078 where: bonds (distance) C4'-P energy: -144.997 bonds (distance) P-C4' energy: -121.660 flat angles C4'-P-C4' energy: -101.390 flat angles P-C4'-P energy: -82.160 tors. eta vs tors. theta energy: 0.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -804.285169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.285169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.285169 (E_RNA) where: Base-Base interactions energy: -411.894 where: short stacking energy: -268.648 Base-Backbone interact. energy: 1.911 local terms energy: -394.302198 where: bonds (distance) C4'-P energy: -111.161 bonds (distance) P-C4' energy: -127.333 flat angles C4'-P-C4' energy: -95.545 flat angles P-C4'-P energy: -60.988 tors. eta vs tors. theta energy: 0.726 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: 3 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -2629.947632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.947632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.947632 (E_RNA) where: Base-Base interactions energy: -1797.777 where: short stacking energy: -766.073 Base-Backbone interact. energy: -2.919 local terms energy: -829.251523 where: bonds (distance) C4'-P energy: -150.827 bonds (distance) P-C4' energy: -149.888 flat angles C4'-P-C4' energy: -171.433 flat angles P-C4'-P energy: -113.703 tors. eta vs tors. theta energy: -243.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2498.832431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.832431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.832431 (E_RNA) where: Base-Base interactions energy: -1720.812 where: short stacking energy: -729.282 Base-Backbone interact. energy: -3.886 local terms energy: -774.134566 where: bonds (distance) C4'-P energy: -149.403 bonds (distance) P-C4' energy: -137.740 flat angles C4'-P-C4' energy: -165.793 flat angles P-C4'-P energy: -106.958 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: 8 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2392.186692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.186692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.186692 (E_RNA) where: Base-Base interactions energy: -1649.825 where: short stacking energy: -725.695 Base-Backbone interact. energy: 0.353 local terms energy: -742.714397 where: bonds (distance) C4'-P energy: -145.034 bonds (distance) P-C4' energy: -133.313 flat angles C4'-P-C4' energy: -150.892 flat angles P-C4'-P energy: -114.361 tors. eta vs tors. theta energy: -199.114 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: 362 Temperature: 1.050000 Total energy: -2283.058335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.058335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.058335 (E_RNA) where: Base-Base interactions energy: -1593.205 where: short stacking energy: -645.865 Base-Backbone interact. energy: -1.319 local terms energy: -688.534449 where: bonds (distance) C4'-P energy: -128.569 bonds (distance) P-C4' energy: -148.807 flat angles C4'-P-C4' energy: -144.187 flat angles P-C4'-P energy: -88.850 tors. eta vs tors. theta energy: -178.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2113.943578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.943578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.943578 (E_RNA) where: Base-Base interactions energy: -1448.177 where: short stacking energy: -619.196 Base-Backbone interact. energy: -2.725 local terms energy: -663.041861 where: bonds (distance) C4'-P energy: -125.298 bonds (distance) P-C4' energy: -118.282 flat angles C4'-P-C4' energy: -140.572 flat angles P-C4'-P energy: -98.577 tors. eta vs tors. theta energy: -180.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1833.512484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.512484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.512484 (E_RNA) where: Base-Base interactions energy: -1212.369 where: short stacking energy: -526.260 Base-Backbone interact. energy: 0.023 local terms energy: -621.166482 where: bonds (distance) C4'-P energy: -126.651 bonds (distance) P-C4' energy: -133.586 flat angles C4'-P-C4' energy: -130.342 flat angles P-C4'-P energy: -102.774 tors. eta vs tors. theta energy: -127.813 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: 362 Temperature: 1.200000 Total energy: -1590.972141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.972141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.972141 (E_RNA) where: Base-Base interactions energy: -1044.092 where: short stacking energy: -443.029 Base-Backbone interact. energy: 2.578 local terms energy: -549.458028 where: bonds (distance) C4'-P energy: -128.544 bonds (distance) P-C4' energy: -105.204 flat angles C4'-P-C4' energy: -120.437 flat angles P-C4'-P energy: -84.407 tors. eta vs tors. theta energy: -110.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1262.226056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.226056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.226056 (E_RNA) where: Base-Base interactions energy: -740.612 where: short stacking energy: -373.381 Base-Backbone interact. energy: -0.301 local terms energy: -521.312798 where: bonds (distance) C4'-P energy: -118.832 bonds (distance) P-C4' energy: -134.521 flat angles C4'-P-C4' energy: -132.244 flat angles P-C4'-P energy: -73.629 tors. eta vs tors. theta energy: -62.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -954.154991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.154991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.154991 (E_RNA) where: Base-Base interactions energy: -513.779 where: short stacking energy: -274.503 Base-Backbone interact. energy: -4.862 local terms energy: -435.514229 where: bonds (distance) C4'-P energy: -115.286 bonds (distance) P-C4' energy: -121.553 flat angles C4'-P-C4' energy: -121.077 flat angles P-C4'-P energy: -71.270 tors. eta vs tors. theta energy: -6.328 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: 10 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -728.242899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.242899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.242899 (E_RNA) where: Base-Base interactions energy: -323.040 where: short stacking energy: -199.452 Base-Backbone interact. energy: 4.797 local terms energy: -409.999554 where: bonds (distance) C4'-P energy: -113.515 bonds (distance) P-C4' energy: -126.317 flat angles C4'-P-C4' energy: -127.903 flat angles P-C4'-P energy: -73.605 tors. eta vs tors. theta energy: 31.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -2603.944905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.944905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.944905 (E_RNA) where: Base-Base interactions energy: -1765.650 where: short stacking energy: -785.506 Base-Backbone interact. energy: -0.937 local terms energy: -837.358298 where: bonds (distance) C4'-P energy: -165.591 bonds (distance) P-C4' energy: -152.581 flat angles C4'-P-C4' energy: -166.098 flat angles P-C4'-P energy: -120.989 tors. eta vs tors. theta energy: -232.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2518.238117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.238117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.238117 (E_RNA) where: Base-Base interactions energy: -1763.306 where: short stacking energy: -764.772 Base-Backbone interact. energy: -3.832 local terms energy: -751.099581 where: bonds (distance) C4'-P energy: -132.728 bonds (distance) P-C4' energy: -146.225 flat angles C4'-P-C4' energy: -164.320 flat angles P-C4'-P energy: -99.912 tors. eta vs tors. theta energy: -207.914 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: 3, replica: 8 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2394.415171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.415171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.415171 (E_RNA) where: Base-Base interactions energy: -1642.373 where: short stacking energy: -692.380 Base-Backbone interact. energy: -3.048 local terms energy: -748.994321 where: bonds (distance) C4'-P energy: -142.955 bonds (distance) P-C4' energy: -144.723 flat angles C4'-P-C4' energy: -156.828 flat angles P-C4'-P energy: -102.303 tors. eta vs tors. theta energy: -202.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2342.558777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.558777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.558777 (E_RNA) where: Base-Base interactions energy: -1608.652 where: short stacking energy: -669.590 Base-Backbone interact. energy: -1.859 local terms energy: -732.047146 where: bonds (distance) C4'-P energy: -133.608 bonds (distance) P-C4' energy: -159.172 flat angles C4'-P-C4' energy: -155.633 flat angles P-C4'-P energy: -97.093 tors. eta vs tors. theta energy: -186.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2123.636361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.636361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.636361 (E_RNA) where: Base-Base interactions energy: -1449.679 where: short stacking energy: -607.540 Base-Backbone interact. energy: -1.377 local terms energy: -672.580162 where: bonds (distance) C4'-P energy: -120.880 bonds (distance) P-C4' energy: -141.595 flat angles C4'-P-C4' energy: -135.095 flat angles P-C4'-P energy: -100.658 tors. eta vs tors. theta energy: -174.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1743.610971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.610971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.610971 (E_RNA) where: Base-Base interactions energy: -1145.723 where: short stacking energy: -507.226 Base-Backbone interact. energy: -0.623 local terms energy: -597.264746 where: bonds (distance) C4'-P energy: -126.099 bonds (distance) P-C4' energy: -138.706 flat angles C4'-P-C4' energy: -135.272 flat angles P-C4'-P energy: -85.362 tors. eta vs tors. theta energy: -111.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1630.136859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.136859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.136859 (E_RNA) where: Base-Base interactions energy: -1046.873 where: short stacking energy: -459.764 Base-Backbone interact. energy: 1.376 local terms energy: -584.639505 where: bonds (distance) C4'-P energy: -134.095 bonds (distance) P-C4' energy: -142.285 flat angles C4'-P-C4' energy: -126.033 flat angles P-C4'-P energy: -97.765 tors. eta vs tors. theta energy: -84.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1256.490417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.490417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.490417 (E_RNA) where: Base-Base interactions energy: -782.890 where: short stacking energy: -342.824 Base-Backbone interact. energy: 0.051 local terms energy: -473.651537 where: bonds (distance) C4'-P energy: -121.532 bonds (distance) P-C4' energy: -129.004 flat angles C4'-P-C4' energy: -141.856 flat angles P-C4'-P energy: -47.969 tors. eta vs tors. theta energy: -33.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -965.825425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.825425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.825425 (E_RNA) where: Base-Base interactions energy: -526.971 where: short stacking energy: -283.661 Base-Backbone interact. energy: 0.627 local terms energy: -439.481214 where: bonds (distance) C4'-P energy: -131.398 bonds (distance) P-C4' energy: -126.801 flat angles C4'-P-C4' energy: -88.832 flat angles P-C4'-P energy: -72.107 tors. eta vs tors. theta energy: -20.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -753.933920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.933920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.933920 (E_RNA) where: Base-Base interactions energy: -343.538 where: short stacking energy: -213.639 Base-Backbone interact. energy: 0.480 local terms energy: -410.875780 where: bonds (distance) C4'-P energy: -129.205 bonds (distance) P-C4' energy: -134.899 flat angles C4'-P-C4' energy: -93.588 flat angles P-C4'-P energy: -50.727 tors. eta vs tors. theta energy: -2.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -2620.240332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.240332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.240332 (E_RNA) where: Base-Base interactions energy: -1800.475 where: short stacking energy: -760.910 Base-Backbone interact. energy: -4.348 local terms energy: -815.775211 where: bonds (distance) C4'-P energy: -142.107 bonds (distance) P-C4' energy: -152.224 flat angles C4'-P-C4' energy: -167.436 flat angles P-C4'-P energy: -122.966 tors. eta vs tors. theta energy: -231.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.358 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2506.360292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.360292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.360292 (E_RNA) where: Base-Base interactions energy: -1740.513 where: short stacking energy: -749.644 Base-Backbone interact. energy: 1.090 local terms energy: -766.937303 where: bonds (distance) C4'-P energy: -135.053 bonds (distance) P-C4' energy: -140.719 flat angles C4'-P-C4' energy: -163.748 flat angles P-C4'-P energy: -108.847 tors. eta vs tors. theta energy: -218.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2372.721159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.721159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.721159 (E_RNA) where: Base-Base interactions energy: -1640.589 where: short stacking energy: -689.163 Base-Backbone interact. energy: -1.363 local terms energy: -730.769415 where: bonds (distance) C4'-P energy: -136.805 bonds (distance) P-C4' energy: -142.822 flat angles C4'-P-C4' energy: -169.625 flat angles P-C4'-P energy: -88.292 tors. eta vs tors. theta energy: -193.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2348.407730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.407730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.407730 (E_RNA) where: Base-Base interactions energy: -1587.803 where: short stacking energy: -682.295 Base-Backbone interact. energy: -1.125 local terms energy: -759.479305 where: bonds (distance) C4'-P energy: -138.581 bonds (distance) P-C4' energy: -152.170 flat angles C4'-P-C4' energy: -172.206 flat angles P-C4'-P energy: -102.563 tors. eta vs tors. theta energy: -193.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2151.273213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.273213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.273213 (E_RNA) where: Base-Base interactions energy: -1444.410 where: short stacking energy: -632.071 Base-Backbone interact. energy: 0.313 local terms energy: -707.176013 where: bonds (distance) C4'-P energy: -137.746 bonds (distance) P-C4' energy: -141.845 flat angles C4'-P-C4' energy: -151.500 flat angles P-C4'-P energy: -100.276 tors. eta vs tors. theta energy: -175.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1785.936034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.936034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.936034 (E_RNA) where: Base-Base interactions energy: -1206.457 where: short stacking energy: -515.112 Base-Backbone interact. energy: -3.367 local terms energy: -576.112296 where: bonds (distance) C4'-P energy: -122.356 bonds (distance) P-C4' energy: -120.532 flat angles C4'-P-C4' energy: -134.140 flat angles P-C4'-P energy: -76.985 tors. eta vs tors. theta energy: -122.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1566.569217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.569217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.569217 (E_RNA) where: Base-Base interactions energy: -992.962 where: short stacking energy: -439.250 Base-Backbone interact. energy: 1.771 local terms energy: -575.378296 where: bonds (distance) C4'-P energy: -130.631 bonds (distance) P-C4' energy: -123.956 flat angles C4'-P-C4' energy: -140.001 flat angles P-C4'-P energy: -79.774 tors. eta vs tors. theta energy: -101.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1266.493658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.493658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.493658 (E_RNA) where: Base-Base interactions energy: -762.585 where: short stacking energy: -390.592 Base-Backbone interact. energy: 0.611 local terms energy: -504.520355 where: bonds (distance) C4'-P energy: -104.514 bonds (distance) P-C4' energy: -149.375 flat angles C4'-P-C4' energy: -104.052 flat angles P-C4'-P energy: -74.688 tors. eta vs tors. theta energy: -71.891 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: 1 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -1017.856198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.856198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.856198 (E_RNA) where: Base-Base interactions energy: -562.305 where: short stacking energy: -274.573 Base-Backbone interact. energy: 0.238 local terms energy: -455.788615 where: bonds (distance) C4'-P energy: -121.336 bonds (distance) P-C4' energy: -122.462 flat angles C4'-P-C4' energy: -114.710 flat angles P-C4'-P energy: -60.316 tors. eta vs tors. theta energy: -36.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -747.195405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.195405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.195405 (E_RNA) where: Base-Base interactions energy: -348.320 where: short stacking energy: -198.161 Base-Backbone interact. energy: -1.783 local terms energy: -397.092797 where: bonds (distance) C4'-P energy: -132.348 bonds (distance) P-C4' energy: -129.546 flat angles C4'-P-C4' energy: -87.686 flat angles P-C4'-P energy: -58.284 tors. eta vs tors. theta energy: 10.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -2630.690885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.690885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.690885 (E_RNA) where: Base-Base interactions energy: -1816.214 where: short stacking energy: -773.258 Base-Backbone interact. energy: -5.155 local terms energy: -809.322134 where: bonds (distance) C4'-P energy: -123.167 bonds (distance) P-C4' energy: -166.343 flat angles C4'-P-C4' energy: -175.088 flat angles P-C4'-P energy: -112.714 tors. eta vs tors. theta energy: -232.009 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: 2, replica: 2 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2461.051987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.051987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.051987 (E_RNA) where: Base-Base interactions energy: -1690.495 where: short stacking energy: -751.175 Base-Backbone interact. energy: -3.594 local terms energy: -766.962661 where: bonds (distance) C4'-P energy: -141.895 bonds (distance) P-C4' energy: -135.307 flat angles C4'-P-C4' energy: -166.045 flat angles P-C4'-P energy: -109.042 tors. eta vs tors. theta energy: -214.673 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: 3, replica: 8 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2289.579054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.579054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.579054 (E_RNA) where: Base-Base interactions energy: -1552.998 where: short stacking energy: -666.204 Base-Backbone interact. energy: 0.355 local terms energy: -736.936312 where: bonds (distance) C4'-P energy: -151.540 bonds (distance) P-C4' energy: -144.844 flat angles C4'-P-C4' energy: -165.202 flat angles P-C4'-P energy: -94.991 tors. eta vs tors. theta energy: -180.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2301.636638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.636638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.636638 (E_RNA) where: Base-Base interactions energy: -1585.749 where: short stacking energy: -664.441 Base-Backbone interact. energy: 1.372 local terms energy: -717.259387 where: bonds (distance) C4'-P energy: -140.615 bonds (distance) P-C4' energy: -146.276 flat angles C4'-P-C4' energy: -133.217 flat angles P-C4'-P energy: -114.430 tors. eta vs tors. theta energy: -182.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2137.544580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.544580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.544580 (E_RNA) where: Base-Base interactions energy: -1472.503 where: short stacking energy: -617.993 Base-Backbone interact. energy: 2.640 local terms energy: -667.680668 where: bonds (distance) C4'-P energy: -128.705 bonds (distance) P-C4' energy: -120.203 flat angles C4'-P-C4' energy: -151.959 flat angles P-C4'-P energy: -91.052 tors. eta vs tors. theta energy: -175.761 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: 4 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1733.064494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.064494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.064494 (E_RNA) where: Base-Base interactions energy: -1122.555 where: short stacking energy: -497.012 Base-Backbone interact. energy: -2.036 local terms energy: -608.474011 where: bonds (distance) C4'-P energy: -129.962 bonds (distance) P-C4' energy: -137.772 flat angles C4'-P-C4' energy: -147.152 flat angles P-C4'-P energy: -79.384 tors. eta vs tors. theta energy: -114.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1539.897827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.897827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.897827 (E_RNA) where: Base-Base interactions energy: -968.377 where: short stacking energy: -422.836 Base-Backbone interact. energy: -3.360 local terms energy: -568.160970 where: bonds (distance) C4'-P energy: -129.249 bonds (distance) P-C4' energy: -129.326 flat angles C4'-P-C4' energy: -130.233 flat angles P-C4'-P energy: -87.827 tors. eta vs tors. theta energy: -91.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1247.463931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.463931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.463931 (E_RNA) where: Base-Base interactions energy: -741.445 where: short stacking energy: -363.015 Base-Backbone interact. energy: 4.914 local terms energy: -510.932428 where: bonds (distance) C4'-P energy: -108.461 bonds (distance) P-C4' energy: -144.215 flat angles C4'-P-C4' energy: -124.963 flat angles P-C4'-P energy: -68.557 tors. eta vs tors. theta energy: -64.736 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: 1 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -998.327121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.327121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.327121 (E_RNA) where: Base-Base interactions energy: -556.666 where: short stacking energy: -313.237 Base-Backbone interact. energy: 2.853 local terms energy: -444.513982 where: bonds (distance) C4'-P energy: -103.314 bonds (distance) P-C4' energy: -134.529 flat angles C4'-P-C4' energy: -109.097 flat angles P-C4'-P energy: -65.174 tors. eta vs tors. theta energy: -32.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -756.700225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.700225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.700225 (E_RNA) where: Base-Base interactions energy: -362.327 where: short stacking energy: -214.233 Base-Backbone interact. energy: 2.674 local terms energy: -397.047129 where: bonds (distance) C4'-P energy: -112.941 bonds (distance) P-C4' energy: -128.953 flat angles C4'-P-C4' energy: -93.065 flat angles P-C4'-P energy: -54.892 tors. eta vs tors. theta energy: -7.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -2623.865745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.865745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.865745 (E_RNA) where: Base-Base interactions energy: -1800.522 where: short stacking energy: -787.606 Base-Backbone interact. energy: -2.860 local terms energy: -820.483601 where: bonds (distance) C4'-P energy: -158.529 bonds (distance) P-C4' energy: -152.284 flat angles C4'-P-C4' energy: -165.678 flat angles P-C4'-P energy: -112.424 tors. eta vs tors. theta energy: -231.569 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: 366 Temperature: 0.950000 Total energy: -2434.066526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.066526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.066526 (E_RNA) where: Base-Base interactions energy: -1677.798 where: short stacking energy: -735.062 Base-Backbone interact. energy: 1.461 local terms energy: -757.729031 where: bonds (distance) C4'-P energy: -142.584 bonds (distance) P-C4' energy: -152.276 flat angles C4'-P-C4' energy: -148.493 flat angles P-C4'-P energy: -105.695 tors. eta vs tors. theta energy: -208.681 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: 3, replica: 8 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2324.200465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.200465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.200465 (E_RNA) where: Base-Base interactions energy: -1606.723 where: short stacking energy: -701.008 Base-Backbone interact. energy: -4.003 local terms energy: -713.473876 where: bonds (distance) C4'-P energy: -122.291 bonds (distance) P-C4' energy: -140.632 flat angles C4'-P-C4' energy: -156.477 flat angles P-C4'-P energy: -108.730 tors. eta vs tors. theta energy: -185.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2254.452646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.452646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.452646 (E_RNA) where: Base-Base interactions energy: -1586.435 where: short stacking energy: -677.553 Base-Backbone interact. energy: 2.386 local terms energy: -670.402934 where: bonds (distance) C4'-P energy: -117.998 bonds (distance) P-C4' energy: -131.973 flat angles C4'-P-C4' energy: -156.421 flat angles P-C4'-P energy: -97.337 tors. eta vs tors. theta energy: -166.674 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: 366 Temperature: 1.100000 Total energy: -2105.525672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.525672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.525672 (E_RNA) where: Base-Base interactions energy: -1442.525 where: short stacking energy: -614.253 Base-Backbone interact. energy: -1.341 local terms energy: -661.659404 where: bonds (distance) C4'-P energy: -141.802 bonds (distance) P-C4' energy: -139.001 flat angles C4'-P-C4' energy: -126.862 flat angles P-C4'-P energy: -86.875 tors. eta vs tors. theta energy: -167.120 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: 4 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1801.653039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.653039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.653039 (E_RNA) where: Base-Base interactions energy: -1202.799 where: short stacking energy: -513.386 Base-Backbone interact. energy: -0.937 local terms energy: -597.916763 where: bonds (distance) C4'-P energy: -127.667 bonds (distance) P-C4' energy: -111.993 flat angles C4'-P-C4' energy: -145.596 flat angles P-C4'-P energy: -84.605 tors. eta vs tors. theta energy: -128.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1535.774747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.774747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.774747 (E_RNA) where: Base-Base interactions energy: -965.099 where: short stacking energy: -452.490 Base-Backbone interact. energy: -3.653 local terms energy: -567.022724 where: bonds (distance) C4'-P energy: -137.049 bonds (distance) P-C4' energy: -123.596 flat angles C4'-P-C4' energy: -135.542 flat angles P-C4'-P energy: -83.159 tors. eta vs tors. theta energy: -87.675 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: 5 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1292.010927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.010927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.010927 (E_RNA) where: Base-Base interactions energy: -752.271 where: short stacking energy: -368.500 Base-Backbone interact. energy: 4.770 local terms energy: -544.509409 where: bonds (distance) C4'-P energy: -132.199 bonds (distance) P-C4' energy: -128.464 flat angles C4'-P-C4' energy: -132.604 flat angles P-C4'-P energy: -82.419 tors. eta vs tors. theta energy: -68.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -1060.902190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.902190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.902190 (E_RNA) where: Base-Base interactions energy: -592.760 where: short stacking energy: -295.491 Base-Backbone interact. energy: 3.046 local terms energy: -471.188791 where: bonds (distance) C4'-P energy: -107.265 bonds (distance) P-C4' energy: -141.995 flat angles C4'-P-C4' energy: -114.674 flat angles P-C4'-P energy: -58.154 tors. eta vs tors. theta energy: -49.102 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: 10 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -776.608255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.608255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.608255 (E_RNA) where: Base-Base interactions energy: -365.912 where: short stacking energy: -210.045 Base-Backbone interact. energy: 3.324 local terms energy: -414.020911 where: bonds (distance) C4'-P energy: -115.397 bonds (distance) P-C4' energy: -131.056 flat angles C4'-P-C4' energy: -104.728 flat angles P-C4'-P energy: -62.362 tors. eta vs tors. theta energy: -0.479 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: 3 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -2610.948443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.948443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.948443 (E_RNA) where: Base-Base interactions energy: -1796.765 where: short stacking energy: -804.437 Base-Backbone interact. energy: 0.494 local terms energy: -814.677975 where: bonds (distance) C4'-P energy: -141.218 bonds (distance) P-C4' energy: -156.589 flat angles C4'-P-C4' energy: -176.721 flat angles P-C4'-P energy: -110.568 tors. eta vs tors. theta energy: -229.583 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: 2, replica: 2 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2450.033783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.033783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.033783 (E_RNA) where: Base-Base interactions energy: -1670.181 where: short stacking energy: -752.295 Base-Backbone interact. energy: -3.493 local terms energy: -776.360367 where: bonds (distance) C4'-P energy: -135.483 bonds (distance) P-C4' energy: -143.163 flat angles C4'-P-C4' energy: -164.117 flat angles P-C4'-P energy: -105.379 tors. eta vs tors. theta energy: -228.218 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: 3, replica: 8 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2318.632660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.632660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.632660 (E_RNA) where: Base-Base interactions energy: -1573.321 where: short stacking energy: -685.775 Base-Backbone interact. energy: -4.083 local terms energy: -741.229096 where: bonds (distance) C4'-P energy: -146.774 bonds (distance) P-C4' energy: -156.657 flat angles C4'-P-C4' energy: -139.973 flat angles P-C4'-P energy: -107.348 tors. eta vs tors. theta energy: -190.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2273.669600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.669600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.669600 (E_RNA) where: Base-Base interactions energy: -1559.480 where: short stacking energy: -654.031 Base-Backbone interact. energy: -4.066 local terms energy: -710.124083 where: bonds (distance) C4'-P energy: -142.972 bonds (distance) P-C4' energy: -135.405 flat angles C4'-P-C4' energy: -150.978 flat angles P-C4'-P energy: -98.924 tors. eta vs tors. theta energy: -181.846 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: 367 Temperature: 1.100000 Total energy: -2113.914107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.914107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.914107 (E_RNA) where: Base-Base interactions energy: -1426.352 where: short stacking energy: -620.386 Base-Backbone interact. energy: -2.014 local terms energy: -685.547971 where: bonds (distance) C4'-P energy: -138.774 bonds (distance) P-C4' energy: -130.805 flat angles C4'-P-C4' energy: -149.402 flat angles P-C4'-P energy: -100.243 tors. eta vs tors. theta energy: -166.324 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: 4 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1836.399670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.399670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.399670 (E_RNA) where: Base-Base interactions energy: -1203.642 where: short stacking energy: -518.467 Base-Backbone interact. energy: 1.408 local terms energy: -634.165168 where: bonds (distance) C4'-P energy: -125.488 bonds (distance) P-C4' energy: -138.035 flat angles C4'-P-C4' energy: -154.014 flat angles P-C4'-P energy: -87.219 tors. eta vs tors. theta energy: -129.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1548.364505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.364505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.364505 (E_RNA) where: Base-Base interactions energy: -982.046 where: short stacking energy: -447.706 Base-Backbone interact. energy: 3.335 local terms energy: -569.653251 where: bonds (distance) C4'-P energy: -127.400 bonds (distance) P-C4' energy: -115.802 flat angles C4'-P-C4' energy: -159.723 flat angles P-C4'-P energy: -75.104 tors. eta vs tors. theta energy: -91.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1270.681223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.681223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.681223 (E_RNA) where: Base-Base interactions energy: -791.718 where: short stacking energy: -362.894 Base-Backbone interact. energy: 4.419 local terms energy: -483.382203 where: bonds (distance) C4'-P energy: -122.550 bonds (distance) P-C4' energy: -120.318 flat angles C4'-P-C4' energy: -115.932 flat angles P-C4'-P energy: -64.824 tors. eta vs tors. theta energy: -59.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -1053.001152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.001152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.001152 (E_RNA) where: Base-Base interactions energy: -589.088 where: short stacking energy: -314.612 Base-Backbone interact. energy: -4.019 local terms energy: -459.894821 where: bonds (distance) C4'-P energy: -132.892 bonds (distance) P-C4' energy: -123.573 flat angles C4'-P-C4' energy: -101.383 flat angles P-C4'-P energy: -61.253 tors. eta vs tors. theta energy: -40.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -770.228035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.228035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.228035 (E_RNA) where: Base-Base interactions energy: -386.258 where: short stacking energy: -236.714 Base-Backbone interact. energy: 3.425 local terms energy: -387.395269 where: bonds (distance) C4'-P energy: -99.162 bonds (distance) P-C4' energy: -116.987 flat angles C4'-P-C4' energy: -94.782 flat angles P-C4'-P energy: -83.239 tors. eta vs tors. theta energy: 6.775 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: 1, replica: 3 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -2603.031460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.031460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.031460 (E_RNA) where: Base-Base interactions energy: -1763.344 where: short stacking energy: -772.149 Base-Backbone interact. energy: -1.720 local terms energy: -837.967472 where: bonds (distance) C4'-P energy: -146.637 bonds (distance) P-C4' energy: -156.334 flat angles C4'-P-C4' energy: -175.911 flat angles P-C4'-P energy: -114.418 tors. eta vs tors. theta energy: -244.668 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: 2, replica: 2 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2471.732356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.732356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.732356 (E_RNA) where: Base-Base interactions energy: -1680.986 where: short stacking energy: -742.782 Base-Backbone interact. energy: -3.058 local terms energy: -787.688248 where: bonds (distance) C4'-P energy: -145.410 bonds (distance) P-C4' energy: -153.683 flat angles C4'-P-C4' energy: -167.138 flat angles P-C4'-P energy: -94.066 tors. eta vs tors. theta energy: -227.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2341.283343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.283343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.283343 (E_RNA) where: Base-Base interactions energy: -1607.294 where: short stacking energy: -696.607 Base-Backbone interact. energy: -3.526 local terms energy: -730.464000 where: bonds (distance) C4'-P energy: -130.337 bonds (distance) P-C4' energy: -144.744 flat angles C4'-P-C4' energy: -167.081 flat angles P-C4'-P energy: -90.982 tors. eta vs tors. theta energy: -197.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2224.733033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.733033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.733033 (E_RNA) where: Base-Base interactions energy: -1510.669 where: short stacking energy: -635.865 Base-Backbone interact. energy: -1.343 local terms energy: -712.721171 where: bonds (distance) C4'-P energy: -141.428 bonds (distance) P-C4' energy: -127.865 flat angles C4'-P-C4' energy: -159.855 flat angles P-C4'-P energy: -113.865 tors. eta vs tors. theta energy: -169.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -2107.468426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.468426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.468426 (E_RNA) where: Base-Base interactions energy: -1396.515 where: short stacking energy: -629.383 Base-Backbone interact. energy: 0.134 local terms energy: -711.087961 where: bonds (distance) C4'-P energy: -127.969 bonds (distance) P-C4' energy: -139.390 flat angles C4'-P-C4' energy: -155.053 flat angles P-C4'-P energy: -109.037 tors. eta vs tors. theta energy: -179.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1788.384400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.384400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.384400 (E_RNA) where: Base-Base interactions energy: -1196.726 where: short stacking energy: -511.551 Base-Backbone interact. energy: -0.746 local terms energy: -590.912525 where: bonds (distance) C4'-P energy: -133.640 bonds (distance) P-C4' energy: -124.847 flat angles C4'-P-C4' energy: -135.750 flat angles P-C4'-P energy: -83.167 tors. eta vs tors. theta energy: -113.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1488.033259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.033259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.033259 (E_RNA) where: Base-Base interactions energy: -946.234 where: short stacking energy: -427.706 Base-Backbone interact. energy: 5.127 local terms energy: -546.926125 where: bonds (distance) C4'-P energy: -114.389 bonds (distance) P-C4' energy: -117.773 flat angles C4'-P-C4' energy: -135.482 flat angles P-C4'-P energy: -86.159 tors. eta vs tors. theta energy: -93.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1255.684511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.684511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.684511 (E_RNA) where: Base-Base interactions energy: -733.091 where: short stacking energy: -371.268 Base-Backbone interact. energy: -0.099 local terms energy: -522.494025 where: bonds (distance) C4'-P energy: -104.027 bonds (distance) P-C4' energy: -135.829 flat angles C4'-P-C4' energy: -122.115 flat angles P-C4'-P energy: -90.522 tors. eta vs tors. theta energy: -70.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1127.996344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.996344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.996344 (E_RNA) where: Base-Base interactions energy: -661.524 where: short stacking energy: -319.981 Base-Backbone interact. energy: -1.338 local terms energy: -465.134373 where: bonds (distance) C4'-P energy: -115.903 bonds (distance) P-C4' energy: -128.411 flat angles C4'-P-C4' energy: -108.349 flat angles P-C4'-P energy: -71.633 tors. eta vs tors. theta energy: -40.838 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: 10 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -759.173491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.173491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.173491 (E_RNA) where: Base-Base interactions energy: -331.136 where: short stacking energy: -185.638 Base-Backbone interact. energy: -0.202 local terms energy: -427.835478 where: bonds (distance) C4'-P energy: -132.927 bonds (distance) P-C4' energy: -128.265 flat angles C4'-P-C4' energy: -119.037 flat angles P-C4'-P energy: -51.680 tors. eta vs tors. theta energy: 4.073 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: 3 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -2619.041360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.041360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.041360 (E_RNA) where: Base-Base interactions energy: -1760.772 where: short stacking energy: -763.184 Base-Backbone interact. energy: 0.953 local terms energy: -859.221879 where: bonds (distance) C4'-P energy: -153.714 bonds (distance) P-C4' energy: -151.602 flat angles C4'-P-C4' energy: -179.793 flat angles P-C4'-P energy: -123.173 tors. eta vs tors. theta energy: -250.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2445.662430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.662430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.662430 (E_RNA) where: Base-Base interactions energy: -1681.460 where: short stacking energy: -708.999 Base-Backbone interact. energy: -0.611 local terms energy: -763.591810 where: bonds (distance) C4'-P energy: -135.625 bonds (distance) P-C4' energy: -131.185 flat angles C4'-P-C4' energy: -169.140 flat angles P-C4'-P energy: -130.816 tors. eta vs tors. theta energy: -196.826 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: 3, replica: 2 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2349.376413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.376413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.376413 (E_RNA) where: Base-Base interactions energy: -1599.283 where: short stacking energy: -701.266 Base-Backbone interact. energy: -0.158 local terms energy: -749.935591 where: bonds (distance) C4'-P energy: -145.544 bonds (distance) P-C4' energy: -143.943 flat angles C4'-P-C4' energy: -154.753 flat angles P-C4'-P energy: -103.903 tors. eta vs tors. theta energy: -201.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2255.446109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.446109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.446109 (E_RNA) where: Base-Base interactions energy: -1533.481 where: short stacking energy: -673.519 Base-Backbone interact. energy: -4.402 local terms energy: -717.563016 where: bonds (distance) C4'-P energy: -132.948 bonds (distance) P-C4' energy: -145.544 flat angles C4'-P-C4' energy: -153.504 flat angles P-C4'-P energy: -109.759 tors. eta vs tors. theta energy: -175.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2069.681301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.681301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.681301 (E_RNA) where: Base-Base interactions energy: -1407.863 where: short stacking energy: -604.718 Base-Backbone interact. energy: -0.981 local terms energy: -660.836827 where: bonds (distance) C4'-P energy: -121.531 bonds (distance) P-C4' energy: -132.614 flat angles C4'-P-C4' energy: -154.575 flat angles P-C4'-P energy: -91.533 tors. eta vs tors. theta energy: -160.584 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: 4 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1850.370536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.370536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.370536 (E_RNA) where: Base-Base interactions energy: -1217.262 where: short stacking energy: -525.446 Base-Backbone interact. energy: 2.611 local terms energy: -635.718850 where: bonds (distance) C4'-P energy: -133.315 bonds (distance) P-C4' energy: -135.923 flat angles C4'-P-C4' energy: -144.930 flat angles P-C4'-P energy: -92.200 tors. eta vs tors. theta energy: -129.351 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: 7, replica: 6 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1515.712605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.712605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.712605 (E_RNA) where: Base-Base interactions energy: -976.150 where: short stacking energy: -442.707 Base-Backbone interact. energy: -3.807 local terms energy: -535.755959 where: bonds (distance) C4'-P energy: -126.222 bonds (distance) P-C4' energy: -122.561 flat angles C4'-P-C4' energy: -130.528 flat angles P-C4'-P energy: -69.783 tors. eta vs tors. theta energy: -86.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1292.338102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.338102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.338102 (E_RNA) where: Base-Base interactions energy: -764.333 where: short stacking energy: -347.279 Base-Backbone interact. energy: 0.373 local terms energy: -528.377413 where: bonds (distance) C4'-P energy: -129.093 bonds (distance) P-C4' energy: -140.168 flat angles C4'-P-C4' energy: -112.656 flat angles P-C4'-P energy: -79.937 tors. eta vs tors. theta energy: -66.524 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: 9, replica: 1 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -1121.035267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.035267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.035267 (E_RNA) where: Base-Base interactions energy: -664.286 where: short stacking energy: -304.816 Base-Backbone interact. energy: 2.643 local terms energy: -459.392708 where: bonds (distance) C4'-P energy: -114.343 bonds (distance) P-C4' energy: -118.156 flat angles C4'-P-C4' energy: -116.775 flat angles P-C4'-P energy: -83.689 tors. eta vs tors. theta energy: -26.431 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: 10 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -730.260599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.260599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.260599 (E_RNA) where: Base-Base interactions energy: -322.492 where: short stacking energy: -179.766 Base-Backbone interact. energy: 3.281 local terms energy: -411.048994 where: bonds (distance) C4'-P energy: -95.413 bonds (distance) P-C4' energy: -140.941 flat angles C4'-P-C4' energy: -112.814 flat angles P-C4'-P energy: -71.903 tors. eta vs tors. theta energy: 10.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -2595.229934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.229934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.229934 (E_RNA) where: Base-Base interactions energy: -1759.561 where: short stacking energy: -747.801 Base-Backbone interact. energy: -2.075 local terms energy: -833.593606 where: bonds (distance) C4'-P energy: -151.280 bonds (distance) P-C4' energy: -157.745 flat angles C4'-P-C4' energy: -166.739 flat angles P-C4'-P energy: -126.032 tors. eta vs tors. theta energy: -231.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2441.175681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.175681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.175681 (E_RNA) where: Base-Base interactions energy: -1673.969 where: short stacking energy: -728.947 Base-Backbone interact. energy: -1.321 local terms energy: -765.885949 where: bonds (distance) C4'-P energy: -141.976 bonds (distance) P-C4' energy: -149.019 flat angles C4'-P-C4' energy: -168.630 flat angles P-C4'-P energy: -111.052 tors. eta vs tors. theta energy: -195.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2395.253397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.253397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.253397 (E_RNA) where: Base-Base interactions energy: -1633.041 where: short stacking energy: -707.031 Base-Backbone interact. energy: 0.366 local terms energy: -762.577686 where: bonds (distance) C4'-P energy: -135.143 bonds (distance) P-C4' energy: -145.440 flat angles C4'-P-C4' energy: -163.387 flat angles P-C4'-P energy: -105.629 tors. eta vs tors. theta energy: -212.979 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: 8 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2175.332843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.332843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.332843 (E_RNA) where: Base-Base interactions energy: -1473.793 where: short stacking energy: -656.298 Base-Backbone interact. energy: -0.559 local terms energy: -700.980269 where: bonds (distance) C4'-P energy: -117.400 bonds (distance) P-C4' energy: -142.220 flat angles C4'-P-C4' energy: -164.921 flat angles P-C4'-P energy: -100.090 tors. eta vs tors. theta energy: -176.350 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: 9 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2106.157873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.157873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.157873 (E_RNA) where: Base-Base interactions energy: -1424.525 where: short stacking energy: -630.478 Base-Backbone interact. energy: -0.917 local terms energy: -680.715683 where: bonds (distance) C4'-P energy: -138.968 bonds (distance) P-C4' energy: -136.927 flat angles C4'-P-C4' energy: -155.281 flat angles P-C4'-P energy: -88.087 tors. eta vs tors. theta energy: -161.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1770.664433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.664433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.664433 (E_RNA) where: Base-Base interactions energy: -1193.293 where: short stacking energy: -516.100 Base-Backbone interact. energy: -1.343 local terms energy: -576.028008 where: bonds (distance) C4'-P energy: -121.152 bonds (distance) P-C4' energy: -113.400 flat angles C4'-P-C4' energy: -141.636 flat angles P-C4'-P energy: -80.722 tors. eta vs tors. theta energy: -119.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1466.662826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.662826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.662826 (E_RNA) where: Base-Base interactions energy: -930.660 where: short stacking energy: -425.861 Base-Backbone interact. energy: -0.363 local terms energy: -535.639737 where: bonds (distance) C4'-P energy: -141.005 bonds (distance) P-C4' energy: -130.684 flat angles C4'-P-C4' energy: -110.654 flat angles P-C4'-P energy: -84.002 tors. eta vs tors. theta energy: -69.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1270.271346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.271346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.271346 (E_RNA) where: Base-Base interactions energy: -780.876 where: short stacking energy: -386.213 Base-Backbone interact. energy: 4.601 local terms energy: -493.995474 where: bonds (distance) C4'-P energy: -131.538 bonds (distance) P-C4' energy: -128.236 flat angles C4'-P-C4' energy: -109.098 flat angles P-C4'-P energy: -65.210 tors. eta vs tors. theta energy: -59.912 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: 1 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1109.922072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.922072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.922072 (E_RNA) where: Base-Base interactions energy: -660.731 where: short stacking energy: -312.791 Base-Backbone interact. energy: 1.655 local terms energy: -450.846020 where: bonds (distance) C4'-P energy: -123.118 bonds (distance) P-C4' energy: -129.078 flat angles C4'-P-C4' energy: -110.820 flat angles P-C4'-P energy: -63.880 tors. eta vs tors. theta energy: -23.949 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: 10, replica: 10 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -700.694775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.694775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.694775 (E_RNA) where: Base-Base interactions energy: -314.376 where: short stacking energy: -184.252 Base-Backbone interact. energy: 1.253 local terms energy: -387.572058 where: bonds (distance) C4'-P energy: -127.237 bonds (distance) P-C4' energy: -128.561 flat angles C4'-P-C4' energy: -89.181 flat angles P-C4'-P energy: -67.612 tors. eta vs tors. theta energy: 25.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -2607.675403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.675403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.675403 (E_RNA) where: Base-Base interactions energy: -1777.124 where: short stacking energy: -756.904 Base-Backbone interact. energy: -1.768 local terms energy: -828.784068 where: bonds (distance) C4'-P energy: -133.973 bonds (distance) P-C4' energy: -159.118 flat angles C4'-P-C4' energy: -178.066 flat angles P-C4'-P energy: -126.077 tors. eta vs tors. theta energy: -231.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2480.886996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.886996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.886996 (E_RNA) where: Base-Base interactions energy: -1680.650 where: short stacking energy: -731.961 Base-Backbone interact. energy: -2.031 local terms energy: -798.205631 where: bonds (distance) C4'-P energy: -135.645 bonds (distance) P-C4' energy: -154.129 flat angles C4'-P-C4' energy: -173.437 flat angles P-C4'-P energy: -110.154 tors. eta vs tors. theta energy: -224.840 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: 7 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2379.554453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.554453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.554453 (E_RNA) where: Base-Base interactions energy: -1639.592 where: short stacking energy: -691.017 Base-Backbone interact. energy: -3.262 local terms energy: -736.700370 where: bonds (distance) C4'-P energy: -122.794 bonds (distance) P-C4' energy: -149.635 flat angles C4'-P-C4' energy: -165.513 flat angles P-C4'-P energy: -110.116 tors. eta vs tors. theta energy: -188.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2262.515369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.515369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.515369 (E_RNA) where: Base-Base interactions energy: -1534.506 where: short stacking energy: -673.039 Base-Backbone interact. energy: -4.129 local terms energy: -723.880341 where: bonds (distance) C4'-P energy: -131.758 bonds (distance) P-C4' energy: -145.362 flat angles C4'-P-C4' energy: -158.210 flat angles P-C4'-P energy: -97.744 tors. eta vs tors. theta energy: -190.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2112.406610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.406610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.406610 (E_RNA) where: Base-Base interactions energy: -1417.204 where: short stacking energy: -613.959 Base-Backbone interact. energy: 2.459 local terms energy: -697.661229 where: bonds (distance) C4'-P energy: -142.375 bonds (distance) P-C4' energy: -140.891 flat angles C4'-P-C4' energy: -154.377 flat angles P-C4'-P energy: -105.824 tors. eta vs tors. theta energy: -154.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1773.282713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.282713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.282713 (E_RNA) where: Base-Base interactions energy: -1191.151 where: short stacking energy: -511.654 Base-Backbone interact. energy: -1.481 local terms energy: -580.651199 where: bonds (distance) C4'-P energy: -124.560 bonds (distance) P-C4' energy: -122.956 flat angles C4'-P-C4' energy: -134.478 flat angles P-C4'-P energy: -74.971 tors. eta vs tors. theta energy: -123.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1427.465186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.465186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.465186 (E_RNA) where: Base-Base interactions energy: -882.171 where: short stacking energy: -394.359 Base-Backbone interact. energy: -2.399 local terms energy: -542.895105 where: bonds (distance) C4'-P energy: -132.285 bonds (distance) P-C4' energy: -140.918 flat angles C4'-P-C4' energy: -128.151 flat angles P-C4'-P energy: -74.820 tors. eta vs tors. theta energy: -66.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1250.255595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.255595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.255595 (E_RNA) where: Base-Base interactions energy: -733.447 where: short stacking energy: -370.516 Base-Backbone interact. energy: 2.562 local terms energy: -519.370168 where: bonds (distance) C4'-P energy: -143.017 bonds (distance) P-C4' energy: -135.087 flat angles C4'-P-C4' energy: -115.238 flat angles P-C4'-P energy: -59.247 tors. eta vs tors. theta energy: -66.781 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: 1 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -1067.419434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.419434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.419434 (E_RNA) where: Base-Base interactions energy: -598.758 where: short stacking energy: -290.504 Base-Backbone interact. energy: 1.531 local terms energy: -470.192448 where: bonds (distance) C4'-P energy: -122.921 bonds (distance) P-C4' energy: -133.308 flat angles C4'-P-C4' energy: -118.479 flat angles P-C4'-P energy: -70.928 tors. eta vs tors. theta energy: -24.557 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: 371 Temperature: 1.350000 Total energy: -696.497680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.497680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.497680 (E_RNA) where: Base-Base interactions energy: -290.664 where: short stacking energy: -182.289 Base-Backbone interact. energy: 4.250 local terms energy: -410.083185 where: bonds (distance) C4'-P energy: -111.991 bonds (distance) P-C4' energy: -139.385 flat angles C4'-P-C4' energy: -103.506 flat angles P-C4'-P energy: -63.746 tors. eta vs tors. theta energy: 8.545 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: 3 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -2618.986961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.986961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.986961 (E_RNA) where: Base-Base interactions energy: -1789.616 where: short stacking energy: -779.331 Base-Backbone interact. energy: 1.879 local terms energy: -831.250266 where: bonds (distance) C4'-P energy: -143.077 bonds (distance) P-C4' energy: -163.622 flat angles C4'-P-C4' energy: -179.492 flat angles P-C4'-P energy: -110.299 tors. eta vs tors. theta energy: -234.761 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: 372 Temperature: 0.950000 Total energy: -2479.481281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.481281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.481281 (E_RNA) where: Base-Base interactions energy: -1704.104 where: short stacking energy: -731.249 Base-Backbone interact. energy: 1.220 local terms energy: -776.597391 where: bonds (distance) C4'-P energy: -137.366 bonds (distance) P-C4' energy: -143.112 flat angles C4'-P-C4' energy: -166.488 flat angles P-C4'-P energy: -103.454 tors. eta vs tors. theta energy: -226.177 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: 3, replica: 7 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2410.699802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.699802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.699802 (E_RNA) where: Base-Base interactions energy: -1664.754 where: short stacking energy: -704.278 Base-Backbone interact. energy: -2.583 local terms energy: -743.362250 where: bonds (distance) C4'-P energy: -135.824 bonds (distance) P-C4' energy: -137.624 flat angles C4'-P-C4' energy: -169.633 flat angles P-C4'-P energy: -116.587 tors. eta vs tors. theta energy: -183.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2247.772577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.772577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.772577 (E_RNA) where: Base-Base interactions energy: -1560.531 where: short stacking energy: -662.908 Base-Backbone interact. energy: -1.630 local terms energy: -685.611615 where: bonds (distance) C4'-P energy: -117.543 bonds (distance) P-C4' energy: -128.802 flat angles C4'-P-C4' energy: -148.013 flat angles P-C4'-P energy: -97.129 tors. eta vs tors. theta energy: -194.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2085.294231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.294231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.294231 (E_RNA) where: Base-Base interactions energy: -1422.444 where: short stacking energy: -603.509 Base-Backbone interact. energy: -2.795 local terms energy: -660.055156 where: bonds (distance) C4'-P energy: -130.286 bonds (distance) P-C4' energy: -144.560 flat angles C4'-P-C4' energy: -150.617 flat angles P-C4'-P energy: -74.488 tors. eta vs tors. theta energy: -160.104 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: 4 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1872.838842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.838842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.838842 (E_RNA) where: Base-Base interactions energy: -1246.628 where: short stacking energy: -548.138 Base-Backbone interact. energy: -0.616 local terms energy: -625.594481 where: bonds (distance) C4'-P energy: -117.832 bonds (distance) P-C4' energy: -146.847 flat angles C4'-P-C4' energy: -137.674 flat angles P-C4'-P energy: -85.296 tors. eta vs tors. theta energy: -137.946 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: 6 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1493.274933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.274933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.274933 (E_RNA) where: Base-Base interactions energy: -991.027 where: short stacking energy: -435.475 Base-Backbone interact. energy: 0.019 local terms energy: -502.266981 where: bonds (distance) C4'-P energy: -108.485 bonds (distance) P-C4' energy: -111.243 flat angles C4'-P-C4' energy: -120.481 flat angles P-C4'-P energy: -76.764 tors. eta vs tors. theta energy: -85.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1183.045829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.045829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.045829 (E_RNA) where: Base-Base interactions energy: -672.928 where: short stacking energy: -350.281 Base-Backbone interact. energy: 1.048 local terms energy: -511.165576 where: bonds (distance) C4'-P energy: -120.144 bonds (distance) P-C4' energy: -124.485 flat angles C4'-P-C4' energy: -135.369 flat angles P-C4'-P energy: -79.990 tors. eta vs tors. theta energy: -51.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1120.297471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.297471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.297471 (E_RNA) where: Base-Base interactions energy: -644.364 where: short stacking energy: -320.707 Base-Backbone interact. energy: -2.526 local terms energy: -473.407513 where: bonds (distance) C4'-P energy: -108.845 bonds (distance) P-C4' energy: -117.702 flat angles C4'-P-C4' energy: -130.926 flat angles P-C4'-P energy: -79.167 tors. eta vs tors. theta energy: -36.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -665.082668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.082668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.082668 (E_RNA) where: Base-Base interactions energy: -293.053 where: short stacking energy: -194.035 Base-Backbone interact. energy: 1.352 local terms energy: -373.381713 where: bonds (distance) C4'-P energy: -111.629 bonds (distance) P-C4' energy: -131.279 flat angles C4'-P-C4' energy: -111.481 flat angles P-C4'-P energy: -28.211 tors. eta vs tors. theta energy: 9.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -2607.670115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.670115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.670115 (E_RNA) where: Base-Base interactions energy: -1788.479 where: short stacking energy: -789.142 Base-Backbone interact. energy: -1.224 local terms energy: -817.967687 where: bonds (distance) C4'-P energy: -136.357 bonds (distance) P-C4' energy: -143.682 flat angles C4'-P-C4' energy: -171.094 flat angles P-C4'-P energy: -129.553 tors. eta vs tors. theta energy: -237.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2455.303636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.303636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.303636 (E_RNA) where: Base-Base interactions energy: -1698.546 where: short stacking energy: -719.431 Base-Backbone interact. energy: -3.899 local terms energy: -752.858638 where: bonds (distance) C4'-P energy: -146.542 bonds (distance) P-C4' energy: -153.143 flat angles C4'-P-C4' energy: -155.292 flat angles P-C4'-P energy: -106.425 tors. eta vs tors. theta energy: -191.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2355.366704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.366704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.366704 (E_RNA) where: Base-Base interactions energy: -1606.073 where: short stacking energy: -686.801 Base-Backbone interact. energy: -5.053 local terms energy: -744.240554 where: bonds (distance) C4'-P energy: -145.489 bonds (distance) P-C4' energy: -139.627 flat angles C4'-P-C4' energy: -161.006 flat angles P-C4'-P energy: -101.285 tors. eta vs tors. theta energy: -196.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2228.719611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.719611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.719611 (E_RNA) where: Base-Base interactions energy: -1525.014 where: short stacking energy: -652.479 Base-Backbone interact. energy: 5.029 local terms energy: -708.734003 where: bonds (distance) C4'-P energy: -148.330 bonds (distance) P-C4' energy: -141.126 flat angles C4'-P-C4' energy: -142.809 flat angles P-C4'-P energy: -101.342 tors. eta vs tors. theta energy: -175.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2065.721704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.721704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.721704 (E_RNA) where: Base-Base interactions energy: -1407.404 where: short stacking energy: -589.279 Base-Backbone interact. energy: 1.193 local terms energy: -659.510418 where: bonds (distance) C4'-P energy: -133.335 bonds (distance) P-C4' energy: -138.503 flat angles C4'-P-C4' energy: -134.841 flat angles P-C4'-P energy: -96.133 tors. eta vs tors. theta energy: -156.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1810.967339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.967339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.967339 (E_RNA) where: Base-Base interactions energy: -1184.259 where: short stacking energy: -496.414 Base-Backbone interact. energy: -0.085 local terms energy: -626.623296 where: bonds (distance) C4'-P energy: -140.704 bonds (distance) P-C4' energy: -140.974 flat angles C4'-P-C4' energy: -134.909 flat angles P-C4'-P energy: -85.581 tors. eta vs tors. theta energy: -124.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1481.242314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.242314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.242314 (E_RNA) where: Base-Base interactions energy: -960.140 where: short stacking energy: -427.839 Base-Backbone interact. energy: -0.161 local terms energy: -520.940916 where: bonds (distance) C4'-P energy: -120.148 bonds (distance) P-C4' energy: -124.359 flat angles C4'-P-C4' energy: -111.889 flat angles P-C4'-P energy: -72.961 tors. eta vs tors. theta energy: -91.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1152.194428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.194428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.194428 (E_RNA) where: Base-Base interactions energy: -652.302 where: short stacking energy: -323.773 Base-Backbone interact. energy: 11.299 local terms energy: -511.191624 where: bonds (distance) C4'-P energy: -115.224 bonds (distance) P-C4' energy: -136.233 flat angles C4'-P-C4' energy: -126.694 flat angles P-C4'-P energy: -88.451 tors. eta vs tors. theta energy: -44.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -1132.405177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.405177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.405177 (E_RNA) where: Base-Base interactions energy: -643.203 where: short stacking energy: -306.712 Base-Backbone interact. energy: -6.803 local terms energy: -483.999029 where: bonds (distance) C4'-P energy: -111.296 bonds (distance) P-C4' energy: -126.812 flat angles C4'-P-C4' energy: -135.922 flat angles P-C4'-P energy: -65.352 tors. eta vs tors. theta energy: -44.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.600 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -636.016609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.016609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.016609 (E_RNA) where: Base-Base interactions energy: -271.460 where: short stacking energy: -210.617 Base-Backbone interact. energy: 0.259 local terms energy: -364.815647 where: bonds (distance) C4'-P energy: -98.245 bonds (distance) P-C4' energy: -144.509 flat angles C4'-P-C4' energy: -102.914 flat angles P-C4'-P energy: -35.318 tors. eta vs tors. theta energy: 16.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -2594.099499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.099499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.099499 (E_RNA) where: Base-Base interactions energy: -1759.101 where: short stacking energy: -792.758 Base-Backbone interact. energy: 2.743 local terms energy: -837.740707 where: bonds (distance) C4'-P energy: -153.968 bonds (distance) P-C4' energy: -165.061 flat angles C4'-P-C4' energy: -176.369 flat angles P-C4'-P energy: -112.667 tors. eta vs tors. theta energy: -229.676 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: 2 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2473.574475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.574475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.574475 (E_RNA) where: Base-Base interactions energy: -1689.043 where: short stacking energy: -744.717 Base-Backbone interact. energy: 0.444 local terms energy: -784.975710 where: bonds (distance) C4'-P energy: -145.473 bonds (distance) P-C4' energy: -142.769 flat angles C4'-P-C4' energy: -169.227 flat angles P-C4'-P energy: -113.426 tors. eta vs tors. theta energy: -214.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2373.390865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.390865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.390865 (E_RNA) where: Base-Base interactions energy: -1650.715 where: short stacking energy: -711.124 Base-Backbone interact. energy: -1.178 local terms energy: -721.497639 where: bonds (distance) C4'-P energy: -140.885 bonds (distance) P-C4' energy: -133.960 flat angles C4'-P-C4' energy: -158.067 flat angles P-C4'-P energy: -88.616 tors. eta vs tors. theta energy: -199.969 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: 374 Temperature: 1.050000 Total energy: -2201.422445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.422445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.422445 (E_RNA) where: Base-Base interactions energy: -1510.011 where: short stacking energy: -649.589 Base-Backbone interact. energy: 0.379 local terms energy: -691.791194 where: bonds (distance) C4'-P energy: -129.079 bonds (distance) P-C4' energy: -144.099 flat angles C4'-P-C4' energy: -157.084 flat angles P-C4'-P energy: -85.535 tors. eta vs tors. theta energy: -175.994 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: 374 Temperature: 1.100000 Total energy: -2068.003998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.003998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.003998 (E_RNA) where: Base-Base interactions energy: -1392.720 where: short stacking energy: -592.951 Base-Backbone interact. energy: -3.509 local terms energy: -671.775007 where: bonds (distance) C4'-P energy: -128.051 bonds (distance) P-C4' energy: -145.709 flat angles C4'-P-C4' energy: -151.849 flat angles P-C4'-P energy: -84.954 tors. eta vs tors. theta energy: -161.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1773.335540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.335540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.335540 (E_RNA) where: Base-Base interactions energy: -1160.897 where: short stacking energy: -490.167 Base-Backbone interact. energy: -2.035 local terms energy: -610.402804 where: bonds (distance) C4'-P energy: -124.228 bonds (distance) P-C4' energy: -146.216 flat angles C4'-P-C4' energy: -136.262 flat angles P-C4'-P energy: -90.933 tors. eta vs tors. theta energy: -112.764 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: 6 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1482.304372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.304372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.304372 (E_RNA) where: Base-Base interactions energy: -912.039 where: short stacking energy: -440.131 Base-Backbone interact. energy: 1.145 local terms energy: -571.409999 where: bonds (distance) C4'-P energy: -114.848 bonds (distance) P-C4' energy: -135.926 flat angles C4'-P-C4' energy: -149.961 flat angles P-C4'-P energy: -80.720 tors. eta vs tors. theta energy: -89.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1151.057476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.057476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.057476 (E_RNA) where: Base-Base interactions energy: -687.761 where: short stacking energy: -326.192 Base-Backbone interact. energy: -1.484 local terms energy: -461.813186 where: bonds (distance) C4'-P energy: -118.399 bonds (distance) P-C4' energy: -103.232 flat angles C4'-P-C4' energy: -117.044 flat angles P-C4'-P energy: -58.174 tors. eta vs tors. theta energy: -64.964 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: 9, replica: 1 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -1340.100666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.100666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.100666 (E_RNA) where: Base-Base interactions energy: -817.222 where: short stacking energy: -378.524 Base-Backbone interact. energy: -1.168 local terms energy: -521.710822 where: bonds (distance) C4'-P energy: -107.951 bonds (distance) P-C4' energy: -138.408 flat angles C4'-P-C4' energy: -121.134 flat angles P-C4'-P energy: -81.629 tors. eta vs tors. theta energy: -72.589 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: 374 Temperature: 1.350000 Total energy: -709.407362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.407362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.407362 (E_RNA) where: Base-Base interactions energy: -318.835 where: short stacking energy: -193.735 Base-Backbone interact. energy: 3.782 local terms energy: -394.355033 where: bonds (distance) C4'-P energy: -102.490 bonds (distance) P-C4' energy: -137.706 flat angles C4'-P-C4' energy: -98.696 flat angles P-C4'-P energy: -63.400 tors. eta vs tors. theta energy: 7.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -2611.861010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.861010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.861010 (E_RNA) where: Base-Base interactions energy: -1797.138 where: short stacking energy: -785.734 Base-Backbone interact. energy: -1.090 local terms energy: -813.632598 where: bonds (distance) C4'-P energy: -140.755 bonds (distance) P-C4' energy: -150.416 flat angles C4'-P-C4' energy: -172.150 flat angles P-C4'-P energy: -120.490 tors. eta vs tors. theta energy: -229.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2454.230557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.230557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.230557 (E_RNA) where: Base-Base interactions energy: -1705.136 where: short stacking energy: -738.844 Base-Backbone interact. energy: 0.137 local terms energy: -749.231946 where: bonds (distance) C4'-P energy: -125.924 bonds (distance) P-C4' energy: -142.992 flat angles C4'-P-C4' energy: -161.206 flat angles P-C4'-P energy: -108.160 tors. eta vs tors. theta energy: -210.950 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: 7 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2348.373991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.373991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.373991 (E_RNA) where: Base-Base interactions energy: -1626.969 where: short stacking energy: -695.062 Base-Backbone interact. energy: 0.558 local terms energy: -721.963153 where: bonds (distance) C4'-P energy: -140.450 bonds (distance) P-C4' energy: -142.020 flat angles C4'-P-C4' energy: -162.691 flat angles P-C4'-P energy: -78.508 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: 4, replica: 9 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2225.198511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.198511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.198511 (E_RNA) where: Base-Base interactions energy: -1487.065 where: short stacking energy: -676.175 Base-Backbone interact. energy: -2.283 local terms energy: -735.850064 where: bonds (distance) C4'-P energy: -130.163 bonds (distance) P-C4' energy: -154.083 flat angles C4'-P-C4' energy: -151.284 flat angles P-C4'-P energy: -101.861 tors. eta vs tors. theta energy: -198.459 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: 8 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2102.696023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.696023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.696023 (E_RNA) where: Base-Base interactions energy: -1428.569 where: short stacking energy: -593.881 Base-Backbone interact. energy: -1.020 local terms energy: -673.106801 where: bonds (distance) C4'-P energy: -135.781 bonds (distance) P-C4' energy: -138.990 flat angles C4'-P-C4' energy: -144.891 flat angles P-C4'-P energy: -91.725 tors. eta vs tors. theta energy: -161.720 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: 375 Temperature: 1.150000 Total energy: -1739.112575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.112575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.112575 (E_RNA) where: Base-Base interactions energy: -1133.137 where: short stacking energy: -496.584 Base-Backbone interact. energy: -0.359 local terms energy: -605.616299 where: bonds (distance) C4'-P energy: -133.375 bonds (distance) P-C4' energy: -124.975 flat angles C4'-P-C4' energy: -139.713 flat angles P-C4'-P energy: -90.311 tors. eta vs tors. theta energy: -117.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1414.517269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.517269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.517269 (E_RNA) where: Base-Base interactions energy: -910.567 where: short stacking energy: -451.902 Base-Backbone interact. energy: 4.791 local terms energy: -508.742126 where: bonds (distance) C4'-P energy: -108.682 bonds (distance) P-C4' energy: -127.672 flat angles C4'-P-C4' energy: -109.591 flat angles P-C4'-P energy: -68.388 tors. eta vs tors. theta energy: -94.409 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: 375 Temperature: 1.250000 Total energy: -1380.889532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.889532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.889532 (E_RNA) where: Base-Base interactions energy: -826.022 where: short stacking energy: -411.648 Base-Backbone interact. energy: 4.645 local terms energy: -559.512760 where: bonds (distance) C4'-P energy: -142.164 bonds (distance) P-C4' energy: -123.621 flat angles C4'-P-C4' energy: -128.317 flat angles P-C4'-P energy: -72.946 tors. eta vs tors. theta energy: -92.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -1071.633641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.633641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.633641 (E_RNA) where: Base-Base interactions energy: -623.451 where: short stacking energy: -297.429 Base-Backbone interact. energy: 1.353 local terms energy: -449.535560 where: bonds (distance) C4'-P energy: -129.883 bonds (distance) P-C4' energy: -121.445 flat angles C4'-P-C4' energy: -103.294 flat angles P-C4'-P energy: -59.586 tors. eta vs tors. theta energy: -35.328 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: 10 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -804.868031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.868031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.868031 (E_RNA) where: Base-Base interactions energy: -411.457 where: short stacking energy: -216.592 Base-Backbone interact. energy: 4.017 local terms energy: -397.427909 where: bonds (distance) C4'-P energy: -127.447 bonds (distance) P-C4' energy: -120.583 flat angles C4'-P-C4' energy: -110.296 flat angles P-C4'-P energy: -42.840 tors. eta vs tors. theta energy: 3.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -2621.693153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.693153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.693153 (E_RNA) where: Base-Base interactions energy: -1785.104 where: short stacking energy: -769.863 Base-Backbone interact. energy: -1.792 local terms energy: -834.797245 where: bonds (distance) C4'-P energy: -150.563 bonds (distance) P-C4' energy: -154.648 flat angles C4'-P-C4' energy: -182.855 flat angles P-C4'-P energy: -115.666 tors. eta vs tors. theta energy: -231.065 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: 2 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2451.294033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.294033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.294033 (E_RNA) where: Base-Base interactions energy: -1709.528 where: short stacking energy: -730.001 Base-Backbone interact. energy: 0.390 local terms energy: -742.155991 where: bonds (distance) C4'-P energy: -135.157 bonds (distance) P-C4' energy: -145.857 flat angles C4'-P-C4' energy: -159.440 flat angles P-C4'-P energy: -99.927 tors. eta vs tors. theta energy: -201.774 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: 376 Temperature: 1.000000 Total energy: -2371.500300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.500300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.500300 (E_RNA) where: Base-Base interactions energy: -1606.972 where: short stacking energy: -677.518 Base-Backbone interact. energy: -1.779 local terms energy: -762.750164 where: bonds (distance) C4'-P energy: -146.775 bonds (distance) P-C4' energy: -142.972 flat angles C4'-P-C4' energy: -163.235 flat angles P-C4'-P energy: -110.392 tors. eta vs tors. theta energy: -199.376 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: 9 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2257.762446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.762446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.762446 (E_RNA) where: Base-Base interactions energy: -1546.880 where: short stacking energy: -697.363 Base-Backbone interact. energy: -1.241 local terms energy: -709.641738 where: bonds (distance) C4'-P energy: -133.294 bonds (distance) P-C4' energy: -142.984 flat angles C4'-P-C4' energy: -147.256 flat angles P-C4'-P energy: -95.254 tors. eta vs tors. theta energy: -190.854 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: 8 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2141.734633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.734633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.734633 (E_RNA) where: Base-Base interactions energy: -1460.771 where: short stacking energy: -601.256 Base-Backbone interact. energy: -3.930 local terms energy: -677.033287 where: bonds (distance) C4'-P energy: -140.062 bonds (distance) P-C4' energy: -130.788 flat angles C4'-P-C4' energy: -137.649 flat angles P-C4'-P energy: -102.070 tors. eta vs tors. theta energy: -166.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1780.420976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.420976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.420976 (E_RNA) where: Base-Base interactions energy: -1177.896 where: short stacking energy: -508.193 Base-Backbone interact. energy: -4.355 local terms energy: -598.169848 where: bonds (distance) C4'-P energy: -126.292 bonds (distance) P-C4' energy: -133.282 flat angles C4'-P-C4' energy: -144.648 flat angles P-C4'-P energy: -64.827 tors. eta vs tors. theta energy: -129.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1393.161116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.161116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.161116 (E_RNA) where: Base-Base interactions energy: -875.985 where: short stacking energy: -435.750 Base-Backbone interact. energy: 1.264 local terms energy: -518.440178 where: bonds (distance) C4'-P energy: -113.515 bonds (distance) P-C4' energy: -140.154 flat angles C4'-P-C4' energy: -118.873 flat angles P-C4'-P energy: -74.630 tors. eta vs tors. theta energy: -71.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1315.109308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.109308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.109308 (E_RNA) where: Base-Base interactions energy: -825.463 where: short stacking energy: -403.408 Base-Backbone interact. energy: -0.426 local terms energy: -489.220176 where: bonds (distance) C4'-P energy: -119.386 bonds (distance) P-C4' energy: -99.178 flat angles C4'-P-C4' energy: -115.713 flat angles P-C4'-P energy: -81.252 tors. eta vs tors. theta energy: -73.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -1094.874232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.874232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.874232 (E_RNA) where: Base-Base interactions energy: -607.065 where: short stacking energy: -312.706 Base-Backbone interact. energy: 1.242 local terms energy: -489.051403 where: bonds (distance) C4'-P energy: -124.065 bonds (distance) P-C4' energy: -137.674 flat angles C4'-P-C4' energy: -118.792 flat angles P-C4'-P energy: -56.344 tors. eta vs tors. theta energy: -52.177 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: 10, replica: 10 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -788.589819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.589819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.589819 (E_RNA) where: Base-Base interactions energy: -415.608 where: short stacking energy: -234.103 Base-Backbone interact. energy: 1.787 local terms energy: -374.769093 where: bonds (distance) C4'-P energy: -104.974 bonds (distance) P-C4' energy: -125.671 flat angles C4'-P-C4' energy: -104.047 flat angles P-C4'-P energy: -41.679 tors. eta vs tors. theta energy: 1.602 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: 3 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -2570.000695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.000695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.000695 (E_RNA) where: Base-Base interactions energy: -1783.524 where: short stacking energy: -756.531 Base-Backbone interact. energy: -1.680 local terms energy: -784.796248 where: bonds (distance) C4'-P energy: -142.669 bonds (distance) P-C4' energy: -154.943 flat angles C4'-P-C4' energy: -168.166 flat angles P-C4'-P energy: -103.776 tors. eta vs tors. theta energy: -215.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2488.387565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.387565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.387565 (E_RNA) where: Base-Base interactions energy: -1721.485 where: short stacking energy: -743.582 Base-Backbone interact. energy: -1.467 local terms energy: -765.435474 where: bonds (distance) C4'-P energy: -144.182 bonds (distance) P-C4' energy: -142.894 flat angles C4'-P-C4' energy: -155.865 flat angles P-C4'-P energy: -104.364 tors. eta vs tors. theta energy: -218.131 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: 7 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2361.655342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.655342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.655342 (E_RNA) where: Base-Base interactions energy: -1603.182 where: short stacking energy: -665.767 Base-Backbone interact. energy: -1.496 local terms energy: -756.977401 where: bonds (distance) C4'-P energy: -142.661 bonds (distance) P-C4' energy: -146.410 flat angles C4'-P-C4' energy: -160.501 flat angles P-C4'-P energy: -114.500 tors. eta vs tors. theta energy: -192.906 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: 4, replica: 9 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2241.980879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.980879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.980879 (E_RNA) where: Base-Base interactions energy: -1526.401 where: short stacking energy: -666.187 Base-Backbone interact. energy: 4.092 local terms energy: -719.672046 where: bonds (distance) C4'-P energy: -131.869 bonds (distance) P-C4' energy: -131.686 flat angles C4'-P-C4' energy: -159.562 flat angles P-C4'-P energy: -97.072 tors. eta vs tors. theta energy: -199.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2074.252844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.252844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.252844 (E_RNA) where: Base-Base interactions energy: -1431.027 where: short stacking energy: -586.283 Base-Backbone interact. energy: -3.086 local terms energy: -640.139731 where: bonds (distance) C4'-P energy: -106.665 bonds (distance) P-C4' energy: -133.188 flat angles C4'-P-C4' energy: -150.887 flat angles P-C4'-P energy: -96.429 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: 6, replica: 4 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1754.618191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.618191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.618191 (E_RNA) where: Base-Base interactions energy: -1146.497 where: short stacking energy: -500.484 Base-Backbone interact. energy: 0.067 local terms energy: -608.188237 where: bonds (distance) C4'-P energy: -142.098 bonds (distance) P-C4' energy: -128.528 flat angles C4'-P-C4' energy: -128.519 flat angles P-C4'-P energy: -81.563 tors. eta vs tors. theta energy: -127.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1477.525606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.525606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.525606 (E_RNA) where: Base-Base interactions energy: -944.435 where: short stacking energy: -429.921 Base-Backbone interact. energy: 0.604 local terms energy: -533.694649 where: bonds (distance) C4'-P energy: -129.611 bonds (distance) P-C4' energy: -121.567 flat angles C4'-P-C4' energy: -131.929 flat angles P-C4'-P energy: -76.018 tors. eta vs tors. theta energy: -74.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1347.155445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.155445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.155445 (E_RNA) where: Base-Base interactions energy: -845.539 where: short stacking energy: -383.658 Base-Backbone interact. energy: -2.175 local terms energy: -499.440644 where: bonds (distance) C4'-P energy: -105.236 bonds (distance) P-C4' energy: -137.021 flat angles C4'-P-C4' energy: -110.079 flat angles P-C4'-P energy: -76.655 tors. eta vs tors. theta energy: -70.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -1037.964984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.964984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.964984 (E_RNA) where: Base-Base interactions energy: -596.541 where: short stacking energy: -318.548 Base-Backbone interact. energy: -1.927 local terms energy: -439.496234 where: bonds (distance) C4'-P energy: -128.349 bonds (distance) P-C4' energy: -114.231 flat angles C4'-P-C4' energy: -112.978 flat angles P-C4'-P energy: -65.589 tors. eta vs tors. theta energy: -18.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -738.258563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.258563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.258563 (E_RNA) where: Base-Base interactions energy: -342.464 where: short stacking energy: -193.229 Base-Backbone interact. energy: 1.538 local terms energy: -397.332878 where: bonds (distance) C4'-P energy: -104.841 bonds (distance) P-C4' energy: -129.525 flat angles C4'-P-C4' energy: -99.198 flat angles P-C4'-P energy: -73.311 tors. eta vs tors. theta energy: 9.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -2577.371624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.371624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.371624 (E_RNA) where: Base-Base interactions energy: -1785.246 where: short stacking energy: -755.178 Base-Backbone interact. energy: -3.030 local terms energy: -789.095362 where: bonds (distance) C4'-P energy: -155.373 bonds (distance) P-C4' energy: -148.500 flat angles C4'-P-C4' energy: -173.011 flat angles P-C4'-P energy: -96.491 tors. eta vs tors. theta energy: -215.720 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: 2 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2498.649929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.649929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.649929 (E_RNA) where: Base-Base interactions energy: -1720.105 where: short stacking energy: -758.754 Base-Backbone interact. energy: -4.382 local terms energy: -774.162828 where: bonds (distance) C4'-P energy: -144.656 bonds (distance) P-C4' energy: -138.826 flat angles C4'-P-C4' energy: -164.617 flat angles P-C4'-P energy: -101.967 tors. eta vs tors. theta energy: -224.097 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: 3, replica: 7 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2377.732205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.732205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.732205 (E_RNA) where: Base-Base interactions energy: -1631.682 where: short stacking energy: -680.766 Base-Backbone interact. energy: -4.515 local terms energy: -741.534748 where: bonds (distance) C4'-P energy: -142.974 bonds (distance) P-C4' energy: -136.795 flat angles C4'-P-C4' energy: -172.335 flat angles P-C4'-P energy: -106.890 tors. eta vs tors. theta energy: -182.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2200.299372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.299372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.299372 (E_RNA) where: Base-Base interactions energy: -1439.504 where: short stacking energy: -643.022 Base-Backbone interact. energy: 1.368 local terms energy: -762.162838 where: bonds (distance) C4'-P energy: -140.562 bonds (distance) P-C4' energy: -158.790 flat angles C4'-P-C4' energy: -164.675 flat angles P-C4'-P energy: -107.748 tors. eta vs tors. theta energy: -190.387 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: 5, replica: 8 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2099.730739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.730739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.730739 (E_RNA) where: Base-Base interactions energy: -1445.951 where: short stacking energy: -598.969 Base-Backbone interact. energy: -2.438 local terms energy: -651.341811 where: bonds (distance) C4'-P energy: -125.764 bonds (distance) P-C4' energy: -132.391 flat angles C4'-P-C4' energy: -151.075 flat angles P-C4'-P energy: -94.957 tors. eta vs tors. theta energy: -147.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1780.767637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.767637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.767637 (E_RNA) where: Base-Base interactions energy: -1201.416 where: short stacking energy: -530.808 Base-Backbone interact. energy: 1.726 local terms energy: -581.077839 where: bonds (distance) C4'-P energy: -114.346 bonds (distance) P-C4' energy: -121.770 flat angles C4'-P-C4' energy: -142.183 flat angles P-C4'-P energy: -80.351 tors. eta vs tors. theta energy: -122.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1579.037383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.037383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.037383 (E_RNA) where: Base-Base interactions energy: -1013.293 where: short stacking energy: -459.333 Base-Backbone interact. energy: -0.873 local terms energy: -564.871532 where: bonds (distance) C4'-P energy: -122.170 bonds (distance) P-C4' energy: -145.036 flat angles C4'-P-C4' energy: -119.781 flat angles P-C4'-P energy: -86.786 tors. eta vs tors. theta energy: -91.100 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: 378 Temperature: 1.250000 Total energy: -1357.197262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.197262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.197262 (E_RNA) where: Base-Base interactions energy: -812.943 where: short stacking energy: -346.410 Base-Backbone interact. energy: -3.462 local terms energy: -540.791646 where: bonds (distance) C4'-P energy: -122.191 bonds (distance) P-C4' energy: -147.627 flat angles C4'-P-C4' energy: -122.658 flat angles P-C4'-P energy: -85.350 tors. eta vs tors. theta energy: -62.965 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: 9, replica: 5 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -1068.746422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.746422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.746422 (E_RNA) where: Base-Base interactions energy: -613.409 where: short stacking energy: -300.866 Base-Backbone interact. energy: -0.866 local terms energy: -454.470977 where: bonds (distance) C4'-P energy: -105.884 bonds (distance) P-C4' energy: -121.231 flat angles C4'-P-C4' energy: -126.131 flat angles P-C4'-P energy: -75.601 tors. eta vs tors. theta energy: -25.624 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: 10, replica: 10 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -745.578758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.578758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.578758 (E_RNA) where: Base-Base interactions energy: -378.212 where: short stacking energy: -203.679 Base-Backbone interact. energy: -2.128 local terms energy: -365.239574 where: bonds (distance) C4'-P energy: -112.968 bonds (distance) P-C4' energy: -98.177 flat angles C4'-P-C4' energy: -106.412 flat angles P-C4'-P energy: -64.850 tors. eta vs tors. theta energy: 17.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -2605.146754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.146754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.146754 (E_RNA) where: Base-Base interactions energy: -1790.376 where: short stacking energy: -761.579 Base-Backbone interact. energy: -0.393 local terms energy: -814.377493 where: bonds (distance) C4'-P energy: -145.382 bonds (distance) P-C4' energy: -141.614 flat angles C4'-P-C4' energy: -178.597 flat angles P-C4'-P energy: -112.471 tors. eta vs tors. theta energy: -236.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2451.420789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.420789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.420789 (E_RNA) where: Base-Base interactions energy: -1652.196 where: short stacking energy: -702.438 Base-Backbone interact. energy: -2.348 local terms energy: -796.876952 where: bonds (distance) C4'-P energy: -147.148 bonds (distance) P-C4' energy: -156.147 flat angles C4'-P-C4' energy: -171.069 flat angles P-C4'-P energy: -110.210 tors. eta vs tors. theta energy: -212.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2416.808116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.808116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.808116 (E_RNA) where: Base-Base interactions energy: -1691.014 where: short stacking energy: -710.205 Base-Backbone interact. energy: -1.428 local terms energy: -724.366221 where: bonds (distance) C4'-P energy: -128.163 bonds (distance) P-C4' energy: -145.351 flat angles C4'-P-C4' energy: -170.236 flat angles P-C4'-P energy: -88.129 tors. eta vs tors. theta energy: -192.487 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: 9 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2173.873412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.873412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.873412 (E_RNA) where: Base-Base interactions energy: -1471.354 where: short stacking energy: -630.364 Base-Backbone interact. energy: -1.816 local terms energy: -700.703818 where: bonds (distance) C4'-P energy: -135.744 bonds (distance) P-C4' energy: -152.367 flat angles C4'-P-C4' energy: -136.310 flat angles P-C4'-P energy: -105.443 tors. eta vs tors. theta energy: -170.840 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: 5, replica: 8 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2153.736481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.736481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.736481 (E_RNA) where: Base-Base interactions energy: -1457.367 where: short stacking energy: -629.456 Base-Backbone interact. energy: -4.406 local terms energy: -691.962648 where: bonds (distance) C4'-P energy: -139.814 bonds (distance) P-C4' energy: -137.702 flat angles C4'-P-C4' energy: -148.615 flat angles P-C4'-P energy: -91.527 tors. eta vs tors. theta energy: -174.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1741.607435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.607435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.607435 (E_RNA) where: Base-Base interactions energy: -1151.183 where: short stacking energy: -492.676 Base-Backbone interact. energy: -3.608 local terms energy: -586.815961 where: bonds (distance) C4'-P energy: -129.766 bonds (distance) P-C4' energy: -132.298 flat angles C4'-P-C4' energy: -134.877 flat angles P-C4'-P energy: -84.043 tors. eta vs tors. theta energy: -105.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1586.361919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.361919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.361919 (E_RNA) where: Base-Base interactions energy: -1014.507 where: short stacking energy: -418.752 Base-Backbone interact. energy: -5.033 local terms energy: -566.822200 where: bonds (distance) C4'-P energy: -113.213 bonds (distance) P-C4' energy: -133.203 flat angles C4'-P-C4' energy: -135.612 flat angles P-C4'-P energy: -101.369 tors. eta vs tors. theta energy: -83.426 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: 379 Temperature: 1.250000 Total energy: -1328.001054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.001054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.001054 (E_RNA) where: Base-Base interactions energy: -839.733 where: short stacking energy: -353.594 Base-Backbone interact. energy: -1.446 local terms energy: -486.821329 where: bonds (distance) C4'-P energy: -114.659 bonds (distance) P-C4' energy: -125.732 flat angles C4'-P-C4' energy: -119.448 flat angles P-C4'-P energy: -66.429 tors. eta vs tors. theta energy: -60.553 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: 5 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -1193.586428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.586428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.586428 (E_RNA) where: Base-Base interactions energy: -698.841 where: short stacking energy: -360.384 Base-Backbone interact. energy: 1.498 local terms energy: -496.243341 where: bonds (distance) C4'-P energy: -119.175 bonds (distance) P-C4' energy: -122.774 flat angles C4'-P-C4' energy: -112.357 flat angles P-C4'-P energy: -79.651 tors. eta vs tors. theta energy: -62.287 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: 10, replica: 10 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -797.789710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.789710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.789710 (E_RNA) where: Base-Base interactions energy: -410.701 where: short stacking energy: -216.132 Base-Backbone interact. energy: -4.503 local terms energy: -382.586502 where: bonds (distance) C4'-P energy: -113.831 bonds (distance) P-C4' energy: -131.501 flat angles C4'-P-C4' energy: -85.197 flat angles P-C4'-P energy: -65.511 tors. eta vs tors. theta energy: 13.454 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: 3 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -2609.370301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.370301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.370301 (E_RNA) where: Base-Base interactions energy: -1813.431 where: short stacking energy: -769.192 Base-Backbone interact. energy: -0.518 local terms energy: -795.422160 where: bonds (distance) C4'-P energy: -144.970 bonds (distance) P-C4' energy: -150.120 flat angles C4'-P-C4' energy: -162.856 flat angles P-C4'-P energy: -114.097 tors. eta vs tors. theta energy: -223.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -2443.687108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.687108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.687108 (E_RNA) where: Base-Base interactions energy: -1656.853 where: short stacking energy: -721.369 Base-Backbone interact. energy: -2.631 local terms energy: -784.202963 where: bonds (distance) C4'-P energy: -153.465 bonds (distance) P-C4' energy: -155.490 flat angles C4'-P-C4' energy: -162.923 flat angles P-C4'-P energy: -100.698 tors. eta vs tors. theta energy: -211.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2415.135273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.135273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.135273 (E_RNA) where: Base-Base interactions energy: -1686.443 where: short stacking energy: -715.725 Base-Backbone interact. energy: -1.838 local terms energy: -726.854506 where: bonds (distance) C4'-P energy: -141.035 bonds (distance) P-C4' energy: -142.600 flat angles C4'-P-C4' energy: -151.848 flat angles P-C4'-P energy: -92.810 tors. eta vs tors. theta energy: -198.563 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: 9 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2230.598193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.598193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.598193 (E_RNA) where: Base-Base interactions energy: -1530.568 where: short stacking energy: -669.719 Base-Backbone interact. energy: -2.537 local terms energy: -697.493394 where: bonds (distance) C4'-P energy: -140.978 bonds (distance) P-C4' energy: -139.973 flat angles C4'-P-C4' energy: -154.334 flat angles P-C4'-P energy: -86.385 tors. eta vs tors. theta energy: -175.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2126.705609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.705609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.705609 (E_RNA) where: Base-Base interactions energy: -1450.969 where: short stacking energy: -626.201 Base-Backbone interact. energy: -1.140 local terms energy: -674.596132 where: bonds (distance) C4'-P energy: -144.640 bonds (distance) P-C4' energy: -139.344 flat angles C4'-P-C4' energy: -152.907 flat angles P-C4'-P energy: -64.539 tors. eta vs tors. theta energy: -173.166 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: 4 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1716.216071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.216071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.216071 (E_RNA) where: Base-Base interactions energy: -1131.852 where: short stacking energy: -495.632 Base-Backbone interact. energy: 5.808 local terms energy: -590.171707 where: bonds (distance) C4'-P energy: -140.182 bonds (distance) P-C4' energy: -118.182 flat angles C4'-P-C4' energy: -138.000 flat angles P-C4'-P energy: -89.688 tors. eta vs tors. theta energy: -104.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1612.738859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.738859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.738859 (E_RNA) where: Base-Base interactions energy: -1029.574 where: short stacking energy: -444.504 Base-Backbone interact. energy: -2.714 local terms energy: -580.450790 where: bonds (distance) C4'-P energy: -134.686 bonds (distance) P-C4' energy: -140.499 flat angles C4'-P-C4' energy: -124.220 flat angles P-C4'-P energy: -86.169 tors. eta vs tors. theta energy: -94.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1355.704416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.704416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.704416 (E_RNA) where: Base-Base interactions energy: -832.733 where: short stacking energy: -385.836 Base-Backbone interact. energy: -1.351 local terms energy: -521.619780 where: bonds (distance) C4'-P energy: -123.500 bonds (distance) P-C4' energy: -132.090 flat angles C4'-P-C4' energy: -113.820 flat angles P-C4'-P energy: -70.159 tors. eta vs tors. theta energy: -82.051 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: 9, replica: 5 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -1172.649329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.649329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.649329 (E_RNA) where: Base-Base interactions energy: -726.575 where: short stacking energy: -333.283 Base-Backbone interact. energy: -2.321 local terms energy: -443.752868 where: bonds (distance) C4'-P energy: -102.564 bonds (distance) P-C4' energy: -131.852 flat angles C4'-P-C4' energy: -114.769 flat angles P-C4'-P energy: -47.091 tors. eta vs tors. theta energy: -47.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -781.997738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.997738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.997738 (E_RNA) where: Base-Base interactions energy: -378.653 where: short stacking energy: -234.050 Base-Backbone interact. energy: 0.425 local terms energy: -403.769134 where: bonds (distance) C4'-P energy: -111.363 bonds (distance) P-C4' energy: -131.764 flat angles C4'-P-C4' energy: -97.659 flat angles P-C4'-P energy: -51.471 tors. eta vs tors. theta energy: -11.513 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: 1, replica: 3 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -2603.921681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.921681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.921681 (E_RNA) where: Base-Base interactions energy: -1805.074 where: short stacking energy: -789.354 Base-Backbone interact. energy: 1.366 local terms energy: -800.213549 where: bonds (distance) C4'-P energy: -134.948 bonds (distance) P-C4' energy: -146.738 flat angles C4'-P-C4' energy: -176.505 flat angles P-C4'-P energy: -105.533 tors. eta vs tors. theta energy: -236.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2459.794803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.794803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.794803 (E_RNA) where: Base-Base interactions energy: -1700.464 where: short stacking energy: -717.399 Base-Backbone interact. energy: -2.914 local terms energy: -756.416239 where: bonds (distance) C4'-P energy: -136.046 bonds (distance) P-C4' energy: -150.813 flat angles C4'-P-C4' energy: -149.245 flat angles P-C4'-P energy: -102.170 tors. eta vs tors. theta energy: -218.141 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: 381 Temperature: 1.000000 Total energy: -2423.686266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.686266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.686266 (E_RNA) where: Base-Base interactions energy: -1693.656 where: short stacking energy: -727.066 Base-Backbone interact. energy: -1.267 local terms energy: -728.763141 where: bonds (distance) C4'-P energy: -136.068 bonds (distance) P-C4' energy: -137.208 flat angles C4'-P-C4' energy: -167.605 flat angles P-C4'-P energy: -99.804 tors. eta vs tors. theta energy: -188.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2234.926038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.926038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.926038 (E_RNA) where: Base-Base interactions energy: -1525.641 where: short stacking energy: -665.407 Base-Backbone interact. energy: -2.025 local terms energy: -707.259764 where: bonds (distance) C4'-P energy: -134.998 bonds (distance) P-C4' energy: -145.883 flat angles C4'-P-C4' energy: -154.612 flat angles P-C4'-P energy: -85.913 tors. eta vs tors. theta energy: -185.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2133.363054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.363054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.363054 (E_RNA) where: Base-Base interactions energy: -1457.023 where: short stacking energy: -648.278 Base-Backbone interact. energy: 0.293 local terms energy: -676.632928 where: bonds (distance) C4'-P energy: -126.172 bonds (distance) P-C4' energy: -135.042 flat angles C4'-P-C4' energy: -146.274 flat angles P-C4'-P energy: -96.625 tors. eta vs tors. theta energy: -172.520 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: 6, replica: 4 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1763.182657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.182657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.182657 (E_RNA) where: Base-Base interactions energy: -1162.697 where: short stacking energy: -517.221 Base-Backbone interact. energy: 6.015 local terms energy: -606.500504 where: bonds (distance) C4'-P energy: -139.374 bonds (distance) P-C4' energy: -132.367 flat angles C4'-P-C4' energy: -127.393 flat angles P-C4'-P energy: -89.789 tors. eta vs tors. theta energy: -117.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1505.985892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.985892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.985892 (E_RNA) where: Base-Base interactions energy: -960.426 where: short stacking energy: -379.829 Base-Backbone interact. energy: 5.319 local terms energy: -550.878564 where: bonds (distance) C4'-P energy: -105.049 bonds (distance) P-C4' energy: -133.284 flat angles C4'-P-C4' energy: -143.362 flat angles P-C4'-P energy: -94.689 tors. eta vs tors. theta energy: -74.495 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: 381 Temperature: 1.250000 Total energy: -1386.071683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.071683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.071683 (E_RNA) where: Base-Base interactions energy: -857.646 where: short stacking energy: -409.002 Base-Backbone interact. energy: -2.837 local terms energy: -525.588694 where: bonds (distance) C4'-P energy: -118.564 bonds (distance) P-C4' energy: -130.141 flat angles C4'-P-C4' energy: -140.944 flat angles P-C4'-P energy: -67.004 tors. eta vs tors. theta energy: -68.935 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: 9, replica: 5 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -1063.591727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.591727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.591727 (E_RNA) where: Base-Base interactions energy: -604.934 where: short stacking energy: -282.716 Base-Backbone interact. energy: -2.769 local terms energy: -455.888392 where: bonds (distance) C4'-P energy: -110.815 bonds (distance) P-C4' energy: -128.281 flat angles C4'-P-C4' energy: -101.388 flat angles P-C4'-P energy: -80.027 tors. eta vs tors. theta energy: -35.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -808.940553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.940553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.940553 (E_RNA) where: Base-Base interactions energy: -421.803 where: short stacking energy: -249.154 Base-Backbone interact. energy: -1.965 local terms energy: -385.172571 where: bonds (distance) C4'-P energy: -108.998 bonds (distance) P-C4' energy: -129.557 flat angles C4'-P-C4' energy: -82.726 flat angles P-C4'-P energy: -66.392 tors. eta vs tors. theta energy: 2.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -2620.502554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.502554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.502554 (E_RNA) where: Base-Base interactions energy: -1795.359 where: short stacking energy: -774.957 Base-Backbone interact. energy: -1.406 local terms energy: -824.567860 where: bonds (distance) C4'-P energy: -157.798 bonds (distance) P-C4' energy: -150.552 flat angles C4'-P-C4' energy: -171.245 flat angles P-C4'-P energy: -107.088 tors. eta vs tors. theta energy: -237.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.830 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2435.498180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.498180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.498180 (E_RNA) where: Base-Base interactions energy: -1677.220 where: short stacking energy: -731.524 Base-Backbone interact. energy: -2.439 local terms energy: -755.839673 where: bonds (distance) C4'-P energy: -143.580 bonds (distance) P-C4' energy: -146.114 flat angles C4'-P-C4' energy: -163.312 flat angles P-C4'-P energy: -79.210 tors. eta vs tors. theta energy: -223.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2410.719566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.719566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.719566 (E_RNA) where: Base-Base interactions energy: -1672.226 where: short stacking energy: -702.534 Base-Backbone interact. energy: 3.932 local terms energy: -742.425955 where: bonds (distance) C4'-P energy: -132.838 bonds (distance) P-C4' energy: -137.390 flat angles C4'-P-C4' energy: -168.819 flat angles P-C4'-P energy: -112.634 tors. eta vs tors. theta energy: -190.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2258.742648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.742648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.742648 (E_RNA) where: Base-Base interactions energy: -1557.029 where: short stacking energy: -670.888 Base-Backbone interact. energy: 0.437 local terms energy: -702.150253 where: bonds (distance) C4'-P energy: -139.689 bonds (distance) P-C4' energy: -129.157 flat angles C4'-P-C4' energy: -154.931 flat angles P-C4'-P energy: -87.939 tors. eta vs tors. theta energy: -190.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2138.152779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.152779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.152779 (E_RNA) where: Base-Base interactions energy: -1464.809 where: short stacking energy: -635.466 Base-Backbone interact. energy: 0.987 local terms energy: -674.331104 where: bonds (distance) C4'-P energy: -139.384 bonds (distance) P-C4' energy: -119.652 flat angles C4'-P-C4' energy: -152.548 flat angles P-C4'-P energy: -90.548 tors. eta vs tors. theta energy: -172.199 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: 4 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1747.180133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.180133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.180133 (E_RNA) where: Base-Base interactions energy: -1125.717 where: short stacking energy: -472.279 Base-Backbone interact. energy: 2.842 local terms energy: -624.304741 where: bonds (distance) C4'-P energy: -126.874 bonds (distance) P-C4' energy: -135.568 flat angles C4'-P-C4' energy: -147.602 flat angles P-C4'-P energy: -103.638 tors. eta vs tors. theta energy: -110.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1627.254111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.254111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.254111 (E_RNA) where: Base-Base interactions energy: -1058.770 where: short stacking energy: -484.024 Base-Backbone interact. energy: -2.798 local terms energy: -565.686087 where: bonds (distance) C4'-P energy: -127.415 bonds (distance) P-C4' energy: -127.281 flat angles C4'-P-C4' energy: -143.240 flat angles P-C4'-P energy: -58.766 tors. eta vs tors. theta energy: -108.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1374.359283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.359283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.359283 (E_RNA) where: Base-Base interactions energy: -889.887 where: short stacking energy: -395.991 Base-Backbone interact. energy: -1.100 local terms energy: -483.372361 where: bonds (distance) C4'-P energy: -121.109 bonds (distance) P-C4' energy: -122.775 flat angles C4'-P-C4' energy: -112.884 flat angles P-C4'-P energy: -58.539 tors. eta vs tors. theta energy: -68.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -1068.895660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.895660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.895660 (E_RNA) where: Base-Base interactions energy: -615.107 where: short stacking energy: -311.304 Base-Backbone interact. energy: 5.101 local terms energy: -459.568969 where: bonds (distance) C4'-P energy: -107.546 bonds (distance) P-C4' energy: -122.207 flat angles C4'-P-C4' energy: -127.995 flat angles P-C4'-P energy: -78.512 tors. eta vs tors. theta energy: -23.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.679 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -829.836344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.836344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.836344 (E_RNA) where: Base-Base interactions energy: -426.827 where: short stacking energy: -235.074 Base-Backbone interact. energy: 5.452 local terms energy: -408.460953 where: bonds (distance) C4'-P energy: -105.908 bonds (distance) P-C4' energy: -111.276 flat angles C4'-P-C4' energy: -116.456 flat angles P-C4'-P energy: -68.511 tors. eta vs tors. theta energy: -6.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -2604.332165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.332165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.332165 (E_RNA) where: Base-Base interactions energy: -1776.960 where: short stacking energy: -778.440 Base-Backbone interact. energy: -3.300 local terms energy: -824.072687 where: bonds (distance) C4'-P energy: -154.090 bonds (distance) P-C4' energy: -146.830 flat angles C4'-P-C4' energy: -175.073 flat angles P-C4'-P energy: -120.089 tors. eta vs tors. theta energy: -227.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2430.951833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.951833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.951833 (E_RNA) where: Base-Base interactions energy: -1676.353 where: short stacking energy: -722.504 Base-Backbone interact. energy: -0.084 local terms energy: -754.515469 where: bonds (distance) C4'-P energy: -153.989 bonds (distance) P-C4' energy: -119.310 flat angles C4'-P-C4' energy: -167.368 flat angles P-C4'-P energy: -105.010 tors. eta vs tors. theta energy: -208.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2394.283882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.283882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.283882 (E_RNA) where: Base-Base interactions energy: -1643.991 where: short stacking energy: -692.875 Base-Backbone interact. energy: -1.355 local terms energy: -748.937597 where: bonds (distance) C4'-P energy: -159.724 bonds (distance) P-C4' energy: -118.157 flat angles C4'-P-C4' energy: -160.624 flat angles P-C4'-P energy: -116.840 tors. eta vs tors. theta energy: -193.592 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: 9 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2296.687385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.687385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.687385 (E_RNA) where: Base-Base interactions energy: -1593.499 where: short stacking energy: -670.243 Base-Backbone interact. energy: -3.033 local terms energy: -700.154922 where: bonds (distance) C4'-P energy: -120.734 bonds (distance) P-C4' energy: -132.587 flat angles C4'-P-C4' energy: -157.210 flat angles P-C4'-P energy: -99.610 tors. eta vs tors. theta energy: -190.014 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: 8 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2174.427000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.427000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.427000 (E_RNA) where: Base-Base interactions energy: -1468.864 where: short stacking energy: -628.728 Base-Backbone interact. energy: -3.157 local terms energy: -702.405345 where: bonds (distance) C4'-P energy: -141.006 bonds (distance) P-C4' energy: -141.801 flat angles C4'-P-C4' energy: -148.316 flat angles P-C4'-P energy: -107.306 tors. eta vs tors. theta energy: -163.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1820.820870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.820870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.820870 (E_RNA) where: Base-Base interactions energy: -1222.598 where: short stacking energy: -551.740 Base-Backbone interact. energy: -0.515 local terms energy: -597.707698 where: bonds (distance) C4'-P energy: -106.222 bonds (distance) P-C4' energy: -127.295 flat angles C4'-P-C4' energy: -134.424 flat angles P-C4'-P energy: -93.151 tors. eta vs tors. theta energy: -136.615 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: 6 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1575.866767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.866767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.866767 (E_RNA) where: Base-Base interactions energy: -1030.548 where: short stacking energy: -463.612 Base-Backbone interact. energy: 0.201 local terms energy: -545.519933 where: bonds (distance) C4'-P energy: -127.838 bonds (distance) P-C4' energy: -118.495 flat angles C4'-P-C4' energy: -124.427 flat angles P-C4'-P energy: -82.370 tors. eta vs tors. theta energy: -92.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1374.039115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.039115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.039115 (E_RNA) where: Base-Base interactions energy: -865.205 where: short stacking energy: -421.434 Base-Backbone interact. energy: 2.228 local terms energy: -511.062357 where: bonds (distance) C4'-P energy: -137.301 bonds (distance) P-C4' energy: -122.579 flat angles C4'-P-C4' energy: -110.907 flat angles P-C4'-P energy: -74.951 tors. eta vs tors. theta energy: -65.324 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: 5 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -1027.027747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.027747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.027747 (E_RNA) where: Base-Base interactions energy: -594.336 where: short stacking energy: -289.412 Base-Backbone interact. energy: 5.470 local terms energy: -438.161703 where: bonds (distance) C4'-P energy: -122.407 bonds (distance) P-C4' energy: -130.078 flat angles C4'-P-C4' energy: -100.285 flat angles P-C4'-P energy: -63.533 tors. eta vs tors. theta energy: -21.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -809.888624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.888624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.888624 (E_RNA) where: Base-Base interactions energy: -414.546 where: short stacking energy: -234.769 Base-Backbone interact. energy: 1.846 local terms energy: -397.188234 where: bonds (distance) C4'-P energy: -118.851 bonds (distance) P-C4' energy: -112.140 flat angles C4'-P-C4' energy: -101.452 flat angles P-C4'-P energy: -60.935 tors. eta vs tors. theta energy: -3.810 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: 3 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -2591.900508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.900508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.900508 (E_RNA) where: Base-Base interactions energy: -1784.168 where: short stacking energy: -779.270 Base-Backbone interact. energy: -3.837 local terms energy: -803.895836 where: bonds (distance) C4'-P energy: -119.522 bonds (distance) P-C4' energy: -155.642 flat angles C4'-P-C4' energy: -175.826 flat angles P-C4'-P energy: -121.109 tors. eta vs tors. theta energy: -231.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2480.510348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.510348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.510348 (E_RNA) where: Base-Base interactions energy: -1706.553 where: short stacking energy: -719.691 Base-Backbone interact. energy: -4.410 local terms energy: -769.546864 where: bonds (distance) C4'-P energy: -135.744 bonds (distance) P-C4' energy: -142.511 flat angles C4'-P-C4' energy: -166.875 flat angles P-C4'-P energy: -105.128 tors. eta vs tors. theta energy: -219.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2414.638457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.638457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.638457 (E_RNA) where: Base-Base interactions energy: -1654.275 where: short stacking energy: -696.691 Base-Backbone interact. energy: -6.487 local terms energy: -753.876629 where: bonds (distance) C4'-P energy: -131.559 bonds (distance) P-C4' energy: -149.659 flat angles C4'-P-C4' energy: -165.316 flat angles P-C4'-P energy: -104.195 tors. eta vs tors. theta energy: -203.147 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: 9 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2272.048807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.048807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.048807 (E_RNA) where: Base-Base interactions energy: -1550.896 where: short stacking energy: -690.222 Base-Backbone interact. energy: -0.605 local terms energy: -720.547949 where: bonds (distance) C4'-P energy: -137.316 bonds (distance) P-C4' energy: -128.033 flat angles C4'-P-C4' energy: -153.697 flat angles P-C4'-P energy: -106.916 tors. eta vs tors. theta energy: -194.586 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: 8 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2131.530911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.530911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.530911 (E_RNA) where: Base-Base interactions energy: -1453.065 where: short stacking energy: -626.871 Base-Backbone interact. energy: 0.746 local terms energy: -679.212771 where: bonds (distance) C4'-P energy: -105.154 bonds (distance) P-C4' energy: -154.791 flat angles C4'-P-C4' energy: -158.717 flat angles P-C4'-P energy: -85.921 tors. eta vs tors. theta energy: -174.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1788.731256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.731256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.731256 (E_RNA) where: Base-Base interactions energy: -1208.892 where: short stacking energy: -490.980 Base-Backbone interact. energy: -0.450 local terms energy: -579.389767 where: bonds (distance) C4'-P energy: -127.354 bonds (distance) P-C4' energy: -132.876 flat angles C4'-P-C4' energy: -141.420 flat angles P-C4'-P energy: -59.508 tors. eta vs tors. theta energy: -118.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1595.347178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.347178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.347178 (E_RNA) where: Base-Base interactions energy: -1029.375 where: short stacking energy: -463.656 Base-Backbone interact. energy: -3.043 local terms energy: -562.928649 where: bonds (distance) C4'-P energy: -110.015 bonds (distance) P-C4' energy: -143.967 flat angles C4'-P-C4' energy: -128.216 flat angles P-C4'-P energy: -86.037 tors. eta vs tors. theta energy: -94.694 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: 384 Temperature: 1.250000 Total energy: -1339.249689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.249689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.249689 (E_RNA) where: Base-Base interactions energy: -839.944 where: short stacking energy: -357.938 Base-Backbone interact. energy: -3.084 local terms energy: -496.222066 where: bonds (distance) C4'-P energy: -112.954 bonds (distance) P-C4' energy: -136.437 flat angles C4'-P-C4' energy: -108.184 flat angles P-C4'-P energy: -76.113 tors. eta vs tors. theta energy: -62.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -1102.390473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.390473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.390473 (E_RNA) where: Base-Base interactions energy: -643.248 where: short stacking energy: -305.332 Base-Backbone interact. energy: -1.696 local terms energy: -457.446369 where: bonds (distance) C4'-P energy: -95.856 bonds (distance) P-C4' energy: -122.263 flat angles C4'-P-C4' energy: -121.558 flat angles P-C4'-P energy: -79.093 tors. eta vs tors. theta energy: -38.676 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: 384 Temperature: 1.350000 Total energy: -876.206060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.206060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.206060 (E_RNA) where: Base-Base interactions energy: -484.042 where: short stacking energy: -248.223 Base-Backbone interact. energy: -0.608 local terms energy: -391.556319 where: bonds (distance) C4'-P energy: -115.073 bonds (distance) P-C4' energy: -100.560 flat angles C4'-P-C4' energy: -106.746 flat angles P-C4'-P energy: -57.048 tors. eta vs tors. theta energy: -12.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -2590.207510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.207510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.207510 (E_RNA) where: Base-Base interactions energy: -1765.588 where: short stacking energy: -789.772 Base-Backbone interact. energy: 2.334 local terms energy: -826.953311 where: bonds (distance) C4'-P energy: -154.798 bonds (distance) P-C4' energy: -153.894 flat angles C4'-P-C4' energy: -166.265 flat angles P-C4'-P energy: -120.588 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: 2 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2505.212447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.212447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.212447 (E_RNA) where: Base-Base interactions energy: -1693.052 where: short stacking energy: -728.053 Base-Backbone interact. energy: -2.586 local terms energy: -809.574959 where: bonds (distance) C4'-P energy: -157.580 bonds (distance) P-C4' energy: -141.035 flat angles C4'-P-C4' energy: -169.460 flat angles P-C4'-P energy: -113.389 tors. eta vs tors. theta energy: -228.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2366.814259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.814259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.814259 (E_RNA) where: Base-Base interactions energy: -1624.548 where: short stacking energy: -683.231 Base-Backbone interact. energy: -1.361 local terms energy: -740.904859 where: bonds (distance) C4'-P energy: -148.158 bonds (distance) P-C4' energy: -147.600 flat angles C4'-P-C4' energy: -164.697 flat angles P-C4'-P energy: -98.214 tors. eta vs tors. theta energy: -182.236 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: 9 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2267.496526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.496526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.496526 (E_RNA) where: Base-Base interactions energy: -1564.987 where: short stacking energy: -658.488 Base-Backbone interact. energy: -0.021 local terms energy: -702.489148 where: bonds (distance) C4'-P energy: -133.768 bonds (distance) P-C4' energy: -140.477 flat angles C4'-P-C4' energy: -146.982 flat angles P-C4'-P energy: -104.900 tors. eta vs tors. theta energy: -176.362 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: 5, replica: 8 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2175.256079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.256079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.256079 (E_RNA) where: Base-Base interactions energy: -1499.799 where: short stacking energy: -651.544 Base-Backbone interact. energy: -1.477 local terms energy: -673.980070 where: bonds (distance) C4'-P energy: -137.361 bonds (distance) P-C4' energy: -131.486 flat angles C4'-P-C4' energy: -142.702 flat angles P-C4'-P energy: -94.109 tors. eta vs tors. theta energy: -168.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1806.872962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.872962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.872962 (E_RNA) where: Base-Base interactions energy: -1196.078 where: short stacking energy: -542.428 Base-Backbone interact. energy: 1.529 local terms energy: -612.323696 where: bonds (distance) C4'-P energy: -118.138 bonds (distance) P-C4' energy: -130.805 flat angles C4'-P-C4' energy: -137.066 flat angles P-C4'-P energy: -100.685 tors. eta vs tors. theta energy: -125.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1561.007445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.007445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.007445 (E_RNA) where: Base-Base interactions energy: -983.736 where: short stacking energy: -419.332 Base-Backbone interact. energy: -3.157 local terms energy: -574.114598 where: bonds (distance) C4'-P energy: -109.658 bonds (distance) P-C4' energy: -130.091 flat angles C4'-P-C4' energy: -134.671 flat angles P-C4'-P energy: -99.689 tors. eta vs tors. theta energy: -100.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1372.512770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.512770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.512770 (E_RNA) where: Base-Base interactions energy: -829.776 where: short stacking energy: -379.108 Base-Backbone interact. energy: 2.175 local terms energy: -544.912176 where: bonds (distance) C4'-P energy: -119.262 bonds (distance) P-C4' energy: -127.012 flat angles C4'-P-C4' energy: -126.686 flat angles P-C4'-P energy: -80.714 tors. eta vs tors. theta energy: -91.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -1197.655067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.655067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.655067 (E_RNA) where: Base-Base interactions energy: -697.298 where: short stacking energy: -331.625 Base-Backbone interact. energy: 5.346 local terms energy: -505.703361 where: bonds (distance) C4'-P energy: -122.413 bonds (distance) P-C4' energy: -128.727 flat angles C4'-P-C4' energy: -119.099 flat angles P-C4'-P energy: -71.856 tors. eta vs tors. theta energy: -63.608 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: 10 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -841.242691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.242691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.242691 (E_RNA) where: Base-Base interactions energy: -448.437 where: short stacking energy: -231.111 Base-Backbone interact. energy: 1.580 local terms energy: -394.385834 where: bonds (distance) C4'-P energy: -84.219 bonds (distance) P-C4' energy: -124.643 flat angles C4'-P-C4' energy: -114.303 flat angles P-C4'-P energy: -84.928 tors. eta vs tors. theta energy: 13.707 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: 3 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -2609.943963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.943963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.943963 (E_RNA) where: Base-Base interactions energy: -1783.405 where: short stacking energy: -770.888 Base-Backbone interact. energy: -1.209 local terms energy: -825.330306 where: bonds (distance) C4'-P energy: -144.512 bonds (distance) P-C4' energy: -158.401 flat angles C4'-P-C4' energy: -165.346 flat angles P-C4'-P energy: -119.284 tors. eta vs tors. theta energy: -237.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2504.399866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.399866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.399866 (E_RNA) where: Base-Base interactions energy: -1718.981 where: short stacking energy: -738.981 Base-Backbone interact. energy: -1.021 local terms energy: -784.398475 where: bonds (distance) C4'-P energy: -139.009 bonds (distance) P-C4' energy: -146.971 flat angles C4'-P-C4' energy: -164.191 flat angles P-C4'-P energy: -110.828 tors. eta vs tors. theta energy: -223.400 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: 7 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2410.423442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.423442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.423442 (E_RNA) where: Base-Base interactions energy: -1664.313 where: short stacking energy: -682.660 Base-Backbone interact. energy: -2.976 local terms energy: -743.135042 where: bonds (distance) C4'-P energy: -148.226 bonds (distance) P-C4' energy: -147.552 flat angles C4'-P-C4' energy: -155.006 flat angles P-C4'-P energy: -109.242 tors. eta vs tors. theta energy: -183.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2306.724352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.724352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.724352 (E_RNA) where: Base-Base interactions energy: -1580.399 where: short stacking energy: -648.149 Base-Backbone interact. energy: -1.951 local terms energy: -724.374253 where: bonds (distance) C4'-P energy: -137.073 bonds (distance) P-C4' energy: -136.098 flat angles C4'-P-C4' energy: -162.100 flat angles P-C4'-P energy: -97.789 tors. eta vs tors. theta energy: -191.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2114.953367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.953367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.953367 (E_RNA) where: Base-Base interactions energy: -1403.522 where: short stacking energy: -611.545 Base-Backbone interact. energy: -2.024 local terms energy: -709.407783 where: bonds (distance) C4'-P energy: -141.179 bonds (distance) P-C4' energy: -133.325 flat angles C4'-P-C4' energy: -161.209 flat angles P-C4'-P energy: -108.261 tors. eta vs tors. theta energy: -165.434 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: 386 Temperature: 1.150000 Total energy: -1793.338592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.338592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.338592 (E_RNA) where: Base-Base interactions energy: -1156.391 where: short stacking energy: -532.133 Base-Backbone interact. energy: -7.637 local terms energy: -629.310627 where: bonds (distance) C4'-P energy: -134.358 bonds (distance) P-C4' energy: -126.920 flat angles C4'-P-C4' energy: -133.853 flat angles P-C4'-P energy: -89.872 tors. eta vs tors. theta energy: -144.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1575.457147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.457147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.457147 (E_RNA) where: Base-Base interactions energy: -978.360 where: short stacking energy: -452.620 Base-Backbone interact. energy: -5.187 local terms energy: -591.910615 where: bonds (distance) C4'-P energy: -122.745 bonds (distance) P-C4' energy: -136.847 flat angles C4'-P-C4' energy: -140.008 flat angles P-C4'-P energy: -90.508 tors. eta vs tors. theta energy: -101.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1337.567053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.567053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.567053 (E_RNA) where: Base-Base interactions energy: -835.024 where: short stacking energy: -386.369 Base-Backbone interact. energy: -1.109 local terms energy: -501.434428 where: bonds (distance) C4'-P energy: -106.541 bonds (distance) P-C4' energy: -135.358 flat angles C4'-P-C4' energy: -116.210 flat angles P-C4'-P energy: -68.670 tors. eta vs tors. theta energy: -74.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -1205.650910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.650910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.650910 (E_RNA) where: Base-Base interactions energy: -730.755 where: short stacking energy: -366.408 Base-Backbone interact. energy: -2.270 local terms energy: -472.650781 where: bonds (distance) C4'-P energy: -117.927 bonds (distance) P-C4' energy: -116.724 flat angles C4'-P-C4' energy: -123.203 flat angles P-C4'-P energy: -58.953 tors. eta vs tors. theta energy: -55.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.025 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -878.642418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.642418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.642418 (E_RNA) where: Base-Base interactions energy: -493.481 where: short stacking energy: -242.759 Base-Backbone interact. energy: 1.135 local terms energy: -386.296074 where: bonds (distance) C4'-P energy: -117.174 bonds (distance) P-C4' energy: -117.043 flat angles C4'-P-C4' energy: -103.836 flat angles P-C4'-P energy: -49.953 tors. eta vs tors. theta energy: 1.709 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: 1, replica: 3 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -2594.113987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.113987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.113987 (E_RNA) where: Base-Base interactions energy: -1767.833 where: short stacking energy: -774.950 Base-Backbone interact. energy: -2.851 local terms energy: -823.429873 where: bonds (distance) C4'-P energy: -156.053 bonds (distance) P-C4' energy: -148.042 flat angles C4'-P-C4' energy: -171.599 flat angles P-C4'-P energy: -115.117 tors. eta vs tors. theta energy: -232.619 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: 387 Temperature: 0.950000 Total energy: -2490.425274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.425274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.425274 (E_RNA) where: Base-Base interactions energy: -1722.696 where: short stacking energy: -745.792 Base-Backbone interact. energy: -1.248 local terms energy: -766.480882 where: bonds (distance) C4'-P energy: -125.123 bonds (distance) P-C4' energy: -128.137 flat angles C4'-P-C4' energy: -172.978 flat angles P-C4'-P energy: -113.065 tors. eta vs tors. theta energy: -227.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2395.331410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.331410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.331410 (E_RNA) where: Base-Base interactions energy: -1658.668 where: short stacking energy: -689.477 Base-Backbone interact. energy: -3.934 local terms energy: -732.728867 where: bonds (distance) C4'-P energy: -138.130 bonds (distance) P-C4' energy: -149.050 flat angles C4'-P-C4' energy: -149.115 flat angles P-C4'-P energy: -106.449 tors. eta vs tors. theta energy: -189.985 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: 9 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2276.674498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.674498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.674498 (E_RNA) where: Base-Base interactions energy: -1585.761 where: short stacking energy: -697.847 Base-Backbone interact. energy: -1.063 local terms energy: -689.850167 where: bonds (distance) C4'-P energy: -130.232 bonds (distance) P-C4' energy: -143.327 flat angles C4'-P-C4' energy: -142.543 flat angles P-C4'-P energy: -93.375 tors. eta vs tors. theta energy: -180.374 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: 8 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2137.231373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.231373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.231373 (E_RNA) where: Base-Base interactions energy: -1427.816 where: short stacking energy: -591.024 Base-Backbone interact. energy: -2.936 local terms energy: -706.478490 where: bonds (distance) C4'-P energy: -139.345 bonds (distance) P-C4' energy: -134.425 flat angles C4'-P-C4' energy: -163.679 flat angles P-C4'-P energy: -98.384 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: 4 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1793.591733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.591733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.591733 (E_RNA) where: Base-Base interactions energy: -1171.390 where: short stacking energy: -487.484 Base-Backbone interact. energy: -3.732 local terms energy: -618.469944 where: bonds (distance) C4'-P energy: -124.736 bonds (distance) P-C4' energy: -132.726 flat angles C4'-P-C4' energy: -128.040 flat angles P-C4'-P energy: -109.404 tors. eta vs tors. theta energy: -123.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1660.609063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.609063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.609063 (E_RNA) where: Base-Base interactions energy: -1072.624 where: short stacking energy: -469.289 Base-Backbone interact. energy: -2.779 local terms energy: -585.206042 where: bonds (distance) C4'-P energy: -121.754 bonds (distance) P-C4' energy: -127.445 flat angles C4'-P-C4' energy: -153.386 flat angles P-C4'-P energy: -66.691 tors. eta vs tors. theta energy: -115.930 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: 8, replica: 1 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1410.741771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.741771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.741771 (E_RNA) where: Base-Base interactions energy: -909.857 where: short stacking energy: -412.230 Base-Backbone interact. energy: 2.911 local terms energy: -503.796115 where: bonds (distance) C4'-P energy: -97.888 bonds (distance) P-C4' energy: -127.572 flat angles C4'-P-C4' energy: -134.627 flat angles P-C4'-P energy: -69.179 tors. eta vs tors. theta energy: -74.530 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: 5 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -1185.312058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.312058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.312058 (E_RNA) where: Base-Base interactions energy: -671.782 where: short stacking energy: -317.964 Base-Backbone interact. energy: 1.328 local terms energy: -514.859827 where: bonds (distance) C4'-P energy: -129.970 bonds (distance) P-C4' energy: -135.806 flat angles C4'-P-C4' energy: -112.706 flat angles P-C4'-P energy: -83.329 tors. eta vs tors. theta energy: -53.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.002 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -902.869569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.869569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.869569 (E_RNA) where: Base-Base interactions energy: -478.291 where: short stacking energy: -240.664 Base-Backbone interact. energy: -3.128 local terms energy: -421.450341 where: bonds (distance) C4'-P energy: -107.094 bonds (distance) P-C4' energy: -137.052 flat angles C4'-P-C4' energy: -113.370 flat angles P-C4'-P energy: -65.857 tors. eta vs tors. theta energy: 1.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -2566.973927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.973927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.973927 (E_RNA) where: Base-Base interactions energy: -1744.721 where: short stacking energy: -762.312 Base-Backbone interact. energy: -0.701 local terms energy: -821.552134 where: bonds (distance) C4'-P energy: -156.470 bonds (distance) P-C4' energy: -164.913 flat angles C4'-P-C4' energy: -157.054 flat angles P-C4'-P energy: -107.984 tors. eta vs tors. theta energy: -235.132 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: 3 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2507.653941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.653941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.653941 (E_RNA) where: Base-Base interactions energy: -1742.743 where: short stacking energy: -733.499 Base-Backbone interact. energy: 0.747 local terms energy: -765.658434 where: bonds (distance) C4'-P energy: -120.382 bonds (distance) P-C4' energy: -149.102 flat angles C4'-P-C4' energy: -168.227 flat angles P-C4'-P energy: -104.799 tors. eta vs tors. theta energy: -223.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2377.851517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.851517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.851517 (E_RNA) where: Base-Base interactions energy: -1631.136 where: short stacking energy: -700.934 Base-Backbone interact. energy: -1.266 local terms energy: -745.448999 where: bonds (distance) C4'-P energy: -137.631 bonds (distance) P-C4' energy: -151.162 flat angles C4'-P-C4' energy: -160.656 flat angles P-C4'-P energy: -89.257 tors. eta vs tors. theta energy: -206.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2251.576152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.576152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.576152 (E_RNA) where: Base-Base interactions energy: -1545.161 where: short stacking energy: -660.994 Base-Backbone interact. energy: -1.933 local terms energy: -704.482028 where: bonds (distance) C4'-P energy: -132.308 bonds (distance) P-C4' energy: -138.875 flat angles C4'-P-C4' energy: -157.676 flat angles P-C4'-P energy: -95.206 tors. eta vs tors. theta energy: -180.417 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: 5, replica: 8 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2205.827112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.827112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.827112 (E_RNA) where: Base-Base interactions energy: -1504.381 where: short stacking energy: -660.781 Base-Backbone interact. energy: -1.568 local terms energy: -699.877623 where: bonds (distance) C4'-P energy: -140.785 bonds (distance) P-C4' energy: -128.752 flat angles C4'-P-C4' energy: -155.322 flat angles P-C4'-P energy: -97.108 tors. eta vs tors. theta energy: -177.911 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: 4 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1782.250404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.250404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.250404 (E_RNA) where: Base-Base interactions energy: -1171.417 where: short stacking energy: -503.383 Base-Backbone interact. energy: -1.836 local terms energy: -608.996646 where: bonds (distance) C4'-P energy: -127.677 bonds (distance) P-C4' energy: -119.531 flat angles C4'-P-C4' energy: -130.939 flat angles P-C4'-P energy: -100.928 tors. eta vs tors. theta energy: -129.921 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: 6 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1645.215299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.215299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.215299 (E_RNA) where: Base-Base interactions energy: -1076.283 where: short stacking energy: -471.355 Base-Backbone interact. energy: 2.541 local terms energy: -571.473472 where: bonds (distance) C4'-P energy: -116.849 bonds (distance) P-C4' energy: -133.551 flat angles C4'-P-C4' energy: -136.125 flat angles P-C4'-P energy: -83.379 tors. eta vs tors. theta energy: -101.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1409.410007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.410007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.410007 (E_RNA) where: Base-Base interactions energy: -890.445 where: short stacking energy: -404.201 Base-Backbone interact. energy: -0.885 local terms energy: -518.080604 where: bonds (distance) C4'-P energy: -123.532 bonds (distance) P-C4' energy: -132.520 flat angles C4'-P-C4' energy: -114.736 flat angles P-C4'-P energy: -84.709 tors. eta vs tors. theta energy: -62.584 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: 5 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -1176.410752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.410752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.410752 (E_RNA) where: Base-Base interactions energy: -710.339 where: short stacking energy: -333.393 Base-Backbone interact. energy: 4.390 local terms energy: -470.462160 where: bonds (distance) C4'-P energy: -108.899 bonds (distance) P-C4' energy: -131.945 flat angles C4'-P-C4' energy: -123.290 flat angles P-C4'-P energy: -65.103 tors. eta vs tors. theta energy: -41.224 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: 10 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -840.441075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.441075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.441075 (E_RNA) where: Base-Base interactions energy: -444.069 where: short stacking energy: -242.600 Base-Backbone interact. energy: 1.190 local terms energy: -397.561853 where: bonds (distance) C4'-P energy: -119.806 bonds (distance) P-C4' energy: -136.114 flat angles C4'-P-C4' energy: -101.933 flat angles P-C4'-P energy: -39.621 tors. eta vs tors. theta energy: -0.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -2583.742812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.742812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.742812 (E_RNA) where: Base-Base interactions energy: -1768.615 where: short stacking energy: -774.838 Base-Backbone interact. energy: -1.922 local terms energy: -813.206610 where: bonds (distance) C4'-P energy: -147.845 bonds (distance) P-C4' energy: -154.660 flat angles C4'-P-C4' energy: -170.205 flat angles P-C4'-P energy: -108.249 tors. eta vs tors. theta energy: -232.248 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: 3 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2543.582188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.582188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.582188 (E_RNA) where: Base-Base interactions energy: -1753.300 where: short stacking energy: -748.532 Base-Backbone interact. energy: 0.702 local terms energy: -790.984252 where: bonds (distance) C4'-P energy: -147.154 bonds (distance) P-C4' energy: -141.556 flat angles C4'-P-C4' energy: -168.620 flat angles P-C4'-P energy: -113.427 tors. eta vs tors. theta energy: -220.227 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: 389 Temperature: 1.000000 Total energy: -2392.309647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.309647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.309647 (E_RNA) where: Base-Base interactions energy: -1623.288 where: short stacking energy: -700.462 Base-Backbone interact. energy: -2.422 local terms energy: -766.600117 where: bonds (distance) C4'-P energy: -139.067 bonds (distance) P-C4' energy: -168.377 flat angles C4'-P-C4' energy: -168.845 flat angles P-C4'-P energy: -92.198 tors. eta vs tors. theta energy: -198.114 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: 9 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2279.287080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.287080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.287080 (E_RNA) where: Base-Base interactions energy: -1537.522 where: short stacking energy: -674.266 Base-Backbone interact. energy: -5.467 local terms energy: -736.297268 where: bonds (distance) C4'-P energy: -123.743 bonds (distance) P-C4' energy: -142.575 flat angles C4'-P-C4' energy: -159.650 flat angles P-C4'-P energy: -109.876 tors. eta vs tors. theta energy: -200.453 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: 8 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -2110.541309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.541309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.541309 (E_RNA) where: Base-Base interactions energy: -1446.871 where: short stacking energy: -640.303 Base-Backbone interact. energy: -3.536 local terms energy: -660.134502 where: bonds (distance) C4'-P energy: -122.471 bonds (distance) P-C4' energy: -140.675 flat angles C4'-P-C4' energy: -145.969 flat angles P-C4'-P energy: -84.352 tors. eta vs tors. theta energy: -166.667 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: 4 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1833.331393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.331393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.331393 (E_RNA) where: Base-Base interactions energy: -1218.199 where: short stacking energy: -525.865 Base-Backbone interact. energy: -1.609 local terms energy: -613.523175 where: bonds (distance) C4'-P energy: -128.859 bonds (distance) P-C4' energy: -127.646 flat angles C4'-P-C4' energy: -124.831 flat angles P-C4'-P energy: -93.392 tors. eta vs tors. theta energy: -138.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1653.667511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.667511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.667511 (E_RNA) where: Base-Base interactions energy: -1079.341 where: short stacking energy: -496.726 Base-Backbone interact. energy: -1.456 local terms energy: -572.870501 where: bonds (distance) C4'-P energy: -122.827 bonds (distance) P-C4' energy: -140.954 flat angles C4'-P-C4' energy: -126.843 flat angles P-C4'-P energy: -75.277 tors. eta vs tors. theta energy: -106.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1400.196230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.196230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.196230 (E_RNA) where: Base-Base interactions energy: -881.701 where: short stacking energy: -388.783 Base-Backbone interact. energy: 1.466 local terms energy: -519.961169 where: bonds (distance) C4'-P energy: -121.651 bonds (distance) P-C4' energy: -129.525 flat angles C4'-P-C4' energy: -105.776 flat angles P-C4'-P energy: -68.549 tors. eta vs tors. theta energy: -94.460 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: 5 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -1247.083421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.083421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.083421 (E_RNA) where: Base-Base interactions energy: -747.039 where: short stacking energy: -346.665 Base-Backbone interact. energy: -1.825 local terms energy: -498.250432 where: bonds (distance) C4'-P energy: -132.123 bonds (distance) P-C4' energy: -115.357 flat angles C4'-P-C4' energy: -120.005 flat angles P-C4'-P energy: -70.707 tors. eta vs tors. theta energy: -60.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.031 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -828.097257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.097257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.097257 (E_RNA) where: Base-Base interactions energy: -448.520 where: short stacking energy: -254.155 Base-Backbone interact. energy: 4.767 local terms energy: -384.344475 where: bonds (distance) C4'-P energy: -123.920 bonds (distance) P-C4' energy: -133.376 flat angles C4'-P-C4' energy: -95.027 flat angles P-C4'-P energy: -37.769 tors. eta vs tors. theta energy: 5.747 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: 1, replica: 3 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -2607.991596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.991596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.991596 (E_RNA) where: Base-Base interactions energy: -1802.725 where: short stacking energy: -758.863 Base-Backbone interact. energy: -3.335 local terms energy: -801.932055 where: bonds (distance) C4'-P energy: -131.675 bonds (distance) P-C4' energy: -148.966 flat angles C4'-P-C4' energy: -174.904 flat angles P-C4'-P energy: -119.707 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: 2, replica: 2 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2534.006982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.006982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.006982 (E_RNA) where: Base-Base interactions energy: -1719.600 where: short stacking energy: -740.377 Base-Backbone interact. energy: -2.901 local terms energy: -811.505373 where: bonds (distance) C4'-P energy: -154.960 bonds (distance) P-C4' energy: -147.931 flat angles C4'-P-C4' energy: -159.186 flat angles P-C4'-P energy: -123.357 tors. eta vs tors. theta energy: -226.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2340.112849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.112849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.112849 (E_RNA) where: Base-Base interactions energy: -1566.683 where: short stacking energy: -664.810 Base-Backbone interact. energy: -1.910 local terms energy: -771.519944 where: bonds (distance) C4'-P energy: -153.518 bonds (distance) P-C4' energy: -142.668 flat angles C4'-P-C4' energy: -158.483 flat angles P-C4'-P energy: -119.615 tors. eta vs tors. theta energy: -197.236 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: 7 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2341.229654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.229654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.229654 (E_RNA) where: Base-Base interactions energy: -1607.859 where: short stacking energy: -674.897 Base-Backbone interact. energy: -2.300 local terms energy: -731.070215 where: bonds (distance) C4'-P energy: -130.449 bonds (distance) P-C4' energy: -152.700 flat angles C4'-P-C4' energy: -160.323 flat angles P-C4'-P energy: -103.100 tors. eta vs tors. theta energy: -184.497 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: 8 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2120.131623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.131623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.131623 (E_RNA) where: Base-Base interactions energy: -1480.714 where: short stacking energy: -634.086 Base-Backbone interact. energy: -3.761 local terms energy: -635.656620 where: bonds (distance) C4'-P energy: -123.808 bonds (distance) P-C4' energy: -120.821 flat angles C4'-P-C4' energy: -143.679 flat angles P-C4'-P energy: -86.375 tors. eta vs tors. theta energy: -160.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1874.030462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.030462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.030462 (E_RNA) where: Base-Base interactions energy: -1250.714 where: short stacking energy: -514.768 Base-Backbone interact. energy: -1.598 local terms energy: -621.717848 where: bonds (distance) C4'-P energy: -131.390 bonds (distance) P-C4' energy: -147.612 flat angles C4'-P-C4' energy: -133.037 flat angles P-C4'-P energy: -94.693 tors. eta vs tors. theta energy: -114.985 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: 7, replica: 6 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1626.440341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.440341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.440341 (E_RNA) where: Base-Base interactions energy: -1068.392 where: short stacking energy: -496.087 Base-Backbone interact. energy: 0.954 local terms energy: -559.220697 where: bonds (distance) C4'-P energy: -96.306 bonds (distance) P-C4' energy: -131.617 flat angles C4'-P-C4' energy: -129.167 flat angles P-C4'-P energy: -94.600 tors. eta vs tors. theta energy: -107.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.218 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1381.269876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.269876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.269876 (E_RNA) where: Base-Base interactions energy: -850.058 where: short stacking energy: -413.756 Base-Backbone interact. energy: 1.412 local terms energy: -532.624104 where: bonds (distance) C4'-P energy: -118.969 bonds (distance) P-C4' energy: -117.685 flat angles C4'-P-C4' energy: -123.257 flat angles P-C4'-P energy: -93.092 tors. eta vs tors. theta energy: -79.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -1236.348420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.348420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.348420 (E_RNA) where: Base-Base interactions energy: -770.047 where: short stacking energy: -358.950 Base-Backbone interact. energy: -0.697 local terms energy: -465.604539 where: bonds (distance) C4'-P energy: -116.690 bonds (distance) P-C4' energy: -129.539 flat angles C4'-P-C4' energy: -128.622 flat angles P-C4'-P energy: -48.535 tors. eta vs tors. theta energy: -42.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -838.904000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.904000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.904000 (E_RNA) where: Base-Base interactions energy: -434.228 where: short stacking energy: -235.562 Base-Backbone interact. energy: -0.911 local terms energy: -403.764999 where: bonds (distance) C4'-P energy: -110.969 bonds (distance) P-C4' energy: -107.502 flat angles C4'-P-C4' energy: -121.964 flat angles P-C4'-P energy: -54.520 tors. eta vs tors. theta energy: -8.810 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: 3 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -2580.712418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.712418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.712418 (E_RNA) where: Base-Base interactions energy: -1780.598 where: short stacking energy: -776.476 Base-Backbone interact. energy: 1.319 local terms energy: -801.433219 where: bonds (distance) C4'-P energy: -148.445 bonds (distance) P-C4' energy: -140.401 flat angles C4'-P-C4' energy: -165.266 flat angles P-C4'-P energy: -120.249 tors. eta vs tors. theta energy: -227.071 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: 2, replica: 2 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2527.289093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.289093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.289093 (E_RNA) where: Base-Base interactions energy: -1751.094 where: short stacking energy: -736.267 Base-Backbone interact. energy: -3.917 local terms energy: -772.277969 where: bonds (distance) C4'-P energy: -130.895 bonds (distance) P-C4' energy: -140.344 flat angles C4'-P-C4' energy: -166.628 flat angles P-C4'-P energy: -108.987 tors. eta vs tors. theta energy: -225.424 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: 9 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2361.792227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.792227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.792227 (E_RNA) where: Base-Base interactions energy: -1600.739 where: short stacking energy: -688.826 Base-Backbone interact. energy: 0.884 local terms energy: -761.937570 where: bonds (distance) C4'-P energy: -151.101 bonds (distance) P-C4' energy: -140.045 flat angles C4'-P-C4' energy: -175.919 flat angles P-C4'-P energy: -100.848 tors. eta vs tors. theta energy: -194.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2286.012093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.012093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.012093 (E_RNA) where: Base-Base interactions energy: -1590.367 where: short stacking energy: -652.897 Base-Backbone interact. energy: -1.698 local terms energy: -693.947739 where: bonds (distance) C4'-P energy: -117.100 bonds (distance) P-C4' energy: -141.662 flat angles C4'-P-C4' energy: -143.369 flat angles P-C4'-P energy: -102.249 tors. eta vs tors. theta energy: -189.568 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: 8 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2126.091571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.091571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.091571 (E_RNA) where: Base-Base interactions energy: -1481.926 where: short stacking energy: -625.229 Base-Backbone interact. energy: -2.005 local terms energy: -642.160617 where: bonds (distance) C4'-P energy: -122.217 bonds (distance) P-C4' energy: -131.108 flat angles C4'-P-C4' energy: -147.106 flat angles P-C4'-P energy: -86.862 tors. eta vs tors. theta energy: -154.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1846.364037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.364037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.364037 (E_RNA) where: Base-Base interactions energy: -1223.173 where: short stacking energy: -530.168 Base-Backbone interact. energy: -3.340 local terms energy: -619.850969 where: bonds (distance) C4'-P energy: -110.911 bonds (distance) P-C4' energy: -137.886 flat angles C4'-P-C4' energy: -146.165 flat angles P-C4'-P energy: -91.846 tors. eta vs tors. theta energy: -133.043 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: 7, replica: 6 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1564.282649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.282649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.282649 (E_RNA) where: Base-Base interactions energy: -1003.704 where: short stacking energy: -462.899 Base-Backbone interact. energy: 2.030 local terms energy: -562.608999 where: bonds (distance) C4'-P energy: -119.647 bonds (distance) P-C4' energy: -132.157 flat angles C4'-P-C4' energy: -133.737 flat angles P-C4'-P energy: -83.990 tors. eta vs tors. theta energy: -93.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1434.993330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.993330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.993330 (E_RNA) where: Base-Base interactions energy: -904.808 where: short stacking energy: -391.731 Base-Backbone interact. energy: -0.229 local terms energy: -529.956832 where: bonds (distance) C4'-P energy: -111.911 bonds (distance) P-C4' energy: -121.885 flat angles C4'-P-C4' energy: -116.537 flat angles P-C4'-P energy: -89.178 tors. eta vs tors. theta energy: -90.446 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: 9, replica: 5 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -1275.050201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.050201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.050201 (E_RNA) where: Base-Base interactions energy: -799.079 where: short stacking energy: -357.708 Base-Backbone interact. energy: 2.423 local terms energy: -478.393616 where: bonds (distance) C4'-P energy: -118.602 bonds (distance) P-C4' energy: -119.063 flat angles C4'-P-C4' energy: -123.237 flat angles P-C4'-P energy: -65.520 tors. eta vs tors. theta energy: -51.972 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: 10, replica: 10 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -793.873354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.873354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.873354 (E_RNA) where: Base-Base interactions energy: -415.323 where: short stacking energy: -219.667 Base-Backbone interact. energy: 3.321 local terms energy: -381.871430 where: bonds (distance) C4'-P energy: -106.845 bonds (distance) P-C4' energy: -119.032 flat angles C4'-P-C4' energy: -90.050 flat angles P-C4'-P energy: -72.529 tors. eta vs tors. theta energy: 6.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -2596.722022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.722022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.722022 (E_RNA) where: Base-Base interactions energy: -1775.659 where: short stacking energy: -766.134 Base-Backbone interact. energy: 2.225 local terms energy: -823.287762 where: bonds (distance) C4'-P energy: -141.250 bonds (distance) P-C4' energy: -159.866 flat angles C4'-P-C4' energy: -172.684 flat angles P-C4'-P energy: -121.192 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: 2, replica: 2 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2506.736255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.736255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.736255 (E_RNA) where: Base-Base interactions energy: -1722.285 where: short stacking energy: -732.569 Base-Backbone interact. energy: -0.419 local terms energy: -784.032518 where: bonds (distance) C4'-P energy: -133.551 bonds (distance) P-C4' energy: -152.617 flat angles C4'-P-C4' energy: -163.293 flat angles P-C4'-P energy: -110.926 tors. eta vs tors. theta energy: -223.644 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: 9 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2358.213148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.213148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.213148 (E_RNA) where: Base-Base interactions energy: -1620.612 where: short stacking energy: -678.548 Base-Backbone interact. energy: 0.445 local terms energy: -738.046147 where: bonds (distance) C4'-P energy: -137.169 bonds (distance) P-C4' energy: -139.571 flat angles C4'-P-C4' energy: -178.885 flat angles P-C4'-P energy: -90.572 tors. eta vs tors. theta energy: -191.848 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: 7 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2276.101740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.101740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.101740 (E_RNA) where: Base-Base interactions energy: -1568.156 where: short stacking energy: -645.733 Base-Backbone interact. energy: -3.048 local terms energy: -704.897254 where: bonds (distance) C4'-P energy: -126.456 bonds (distance) P-C4' energy: -157.054 flat angles C4'-P-C4' energy: -145.671 flat angles P-C4'-P energy: -96.762 tors. eta vs tors. theta energy: -178.954 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: 8 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2098.224578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.224578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.224578 (E_RNA) where: Base-Base interactions energy: -1443.918 where: short stacking energy: -621.669 Base-Backbone interact. energy: 2.605 local terms energy: -656.911431 where: bonds (distance) C4'-P energy: -128.329 bonds (distance) P-C4' energy: -124.180 flat angles C4'-P-C4' energy: -141.386 flat angles P-C4'-P energy: -93.872 tors. eta vs tors. theta energy: -169.144 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: 4 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1851.900182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.900182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.900182 (E_RNA) where: Base-Base interactions energy: -1226.907 where: short stacking energy: -525.661 Base-Backbone interact. energy: -3.529 local terms energy: -621.464371 where: bonds (distance) C4'-P energy: -112.447 bonds (distance) P-C4' energy: -129.184 flat angles C4'-P-C4' energy: -138.269 flat angles P-C4'-P energy: -90.780 tors. eta vs tors. theta energy: -150.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1581.422710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.422710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.422710 (E_RNA) where: Base-Base interactions energy: -1024.353 where: short stacking energy: -448.362 Base-Backbone interact. energy: 2.843 local terms energy: -559.912824 where: bonds (distance) C4'-P energy: -126.347 bonds (distance) P-C4' energy: -136.914 flat angles C4'-P-C4' energy: -122.324 flat angles P-C4'-P energy: -77.613 tors. eta vs tors. theta energy: -96.716 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: 392 Temperature: 1.250000 Total energy: -1436.788665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.788665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.788665 (E_RNA) where: Base-Base interactions energy: -931.674 where: short stacking energy: -408.039 Base-Backbone interact. energy: 4.682 local terms energy: -509.796816 where: bonds (distance) C4'-P energy: -106.274 bonds (distance) P-C4' energy: -115.760 flat angles C4'-P-C4' energy: -126.476 flat angles P-C4'-P energy: -74.609 tors. eta vs tors. theta energy: -86.677 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: 5 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1222.334205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.334205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.334205 (E_RNA) where: Base-Base interactions energy: -737.504 where: short stacking energy: -362.708 Base-Backbone interact. energy: 2.364 local terms energy: -487.195048 where: bonds (distance) C4'-P energy: -110.649 bonds (distance) P-C4' energy: -115.294 flat angles C4'-P-C4' energy: -128.029 flat angles P-C4'-P energy: -68.218 tors. eta vs tors. theta energy: -65.004 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: 10 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -820.538420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.538420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.538420 (E_RNA) where: Base-Base interactions energy: -373.946 where: short stacking energy: -241.733 Base-Backbone interact. energy: -3.655 local terms energy: -442.937767 where: bonds (distance) C4'-P energy: -101.811 bonds (distance) P-C4' energy: -131.558 flat angles C4'-P-C4' energy: -121.171 flat angles P-C4'-P energy: -83.786 tors. eta vs tors. theta energy: -4.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -2577.874422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.874422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.874422 (E_RNA) where: Base-Base interactions energy: -1760.422 where: short stacking energy: -763.396 Base-Backbone interact. energy: -0.479 local terms energy: -816.973060 where: bonds (distance) C4'-P energy: -135.346 bonds (distance) P-C4' energy: -152.281 flat angles C4'-P-C4' energy: -173.545 flat angles P-C4'-P energy: -114.009 tors. eta vs tors. theta energy: -241.793 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: 2, replica: 2 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2489.416860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.416860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.416860 (E_RNA) where: Base-Base interactions energy: -1713.182 where: short stacking energy: -728.753 Base-Backbone interact. energy: 1.755 local terms energy: -777.989586 where: bonds (distance) C4'-P energy: -128.793 bonds (distance) P-C4' energy: -160.870 flat angles C4'-P-C4' energy: -168.339 flat angles P-C4'-P energy: -109.304 tors. eta vs tors. theta energy: -210.684 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: 9 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2366.588687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.588687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.588687 (E_RNA) where: Base-Base interactions energy: -1626.594 where: short stacking energy: -705.606 Base-Backbone interact. energy: -2.160 local terms energy: -737.834564 where: bonds (distance) C4'-P energy: -135.429 bonds (distance) P-C4' energy: -139.749 flat angles C4'-P-C4' energy: -153.645 flat angles P-C4'-P energy: -112.597 tors. eta vs tors. theta energy: -196.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2299.670735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.670735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.670735 (E_RNA) where: Base-Base interactions energy: -1573.291 where: short stacking energy: -683.546 Base-Backbone interact. energy: -2.777 local terms energy: -723.602634 where: bonds (distance) C4'-P energy: -125.313 bonds (distance) P-C4' energy: -132.037 flat angles C4'-P-C4' energy: -163.767 flat angles P-C4'-P energy: -111.135 tors. eta vs tors. theta energy: -191.351 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: 5, replica: 8 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -2072.495711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.495711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.495711 (E_RNA) where: Base-Base interactions energy: -1410.086 where: short stacking energy: -586.280 Base-Backbone interact. energy: 0.274 local terms energy: -662.684460 where: bonds (distance) C4'-P energy: -135.454 bonds (distance) P-C4' energy: -129.267 flat angles C4'-P-C4' energy: -146.510 flat angles P-C4'-P energy: -92.044 tors. eta vs tors. theta energy: -159.409 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: 4 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1821.810905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.810905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.810905 (E_RNA) where: Base-Base interactions energy: -1207.772 where: short stacking energy: -522.334 Base-Backbone interact. energy: -4.149 local terms energy: -609.889326 where: bonds (distance) C4'-P energy: -130.705 bonds (distance) P-C4' energy: -127.684 flat angles C4'-P-C4' energy: -143.404 flat angles P-C4'-P energy: -78.662 tors. eta vs tors. theta energy: -129.433 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: 6 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1650.403390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.403390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.403390 (E_RNA) where: Base-Base interactions energy: -1066.049 where: short stacking energy: -468.908 Base-Backbone interact. energy: -1.115 local terms energy: -583.239693 where: bonds (distance) C4'-P energy: -130.458 bonds (distance) P-C4' energy: -134.661 flat angles C4'-P-C4' energy: -113.728 flat angles P-C4'-P energy: -94.012 tors. eta vs tors. theta energy: -110.380 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: 393 Temperature: 1.250000 Total energy: -1409.175720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.175720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.175720 (E_RNA) where: Base-Base interactions energy: -882.043 where: short stacking energy: -385.910 Base-Backbone interact. energy: -1.642 local terms energy: -525.490726 where: bonds (distance) C4'-P energy: -128.706 bonds (distance) P-C4' energy: -138.303 flat angles C4'-P-C4' energy: -124.957 flat angles P-C4'-P energy: -62.117 tors. eta vs tors. theta energy: -71.408 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: 5 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -1280.572080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.572080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.572080 (E_RNA) where: Base-Base interactions energy: -787.133 where: short stacking energy: -393.284 Base-Backbone interact. energy: -0.591 local terms energy: -492.848024 where: bonds (distance) C4'-P energy: -96.196 bonds (distance) P-C4' energy: -131.552 flat angles C4'-P-C4' energy: -120.723 flat angles P-C4'-P energy: -68.425 tors. eta vs tors. theta energy: -75.952 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: 10, replica: 10 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -770.156920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.156920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.156920 (E_RNA) where: Base-Base interactions energy: -374.255 where: short stacking energy: -221.541 Base-Backbone interact. energy: 3.635 local terms energy: -399.536593 where: bonds (distance) C4'-P energy: -123.267 bonds (distance) P-C4' energy: -115.443 flat angles C4'-P-C4' energy: -101.688 flat angles P-C4'-P energy: -62.741 tors. eta vs tors. theta energy: 3.602 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: 3 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -2608.900681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.900681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.900681 (E_RNA) where: Base-Base interactions energy: -1778.546 where: short stacking energy: -776.014 Base-Backbone interact. energy: 0.506 local terms energy: -830.860062 where: bonds (distance) C4'-P energy: -156.907 bonds (distance) P-C4' energy: -144.754 flat angles C4'-P-C4' energy: -176.091 flat angles P-C4'-P energy: -124.315 tors. eta vs tors. theta energy: -228.793 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: 2, replica: 2 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2455.948276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.948276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.948276 (E_RNA) where: Base-Base interactions energy: -1676.813 where: short stacking energy: -731.492 Base-Backbone interact. energy: -0.516 local terms energy: -778.619861 where: bonds (distance) C4'-P energy: -157.504 bonds (distance) P-C4' energy: -133.958 flat angles C4'-P-C4' energy: -165.886 flat angles P-C4'-P energy: -102.357 tors. eta vs tors. theta energy: -218.914 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: 3, replica: 7 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2373.295158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.295158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.295158 (E_RNA) where: Base-Base interactions energy: -1630.627 where: short stacking energy: -666.314 Base-Backbone interact. energy: -2.399 local terms energy: -740.269001 where: bonds (distance) C4'-P energy: -130.294 bonds (distance) P-C4' energy: -148.212 flat angles C4'-P-C4' energy: -165.932 flat angles P-C4'-P energy: -105.121 tors. eta vs tors. theta energy: -190.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2275.956710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.956710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.956710 (E_RNA) where: Base-Base interactions energy: -1558.860 where: short stacking energy: -668.780 Base-Backbone interact. energy: -2.578 local terms energy: -714.518520 where: bonds (distance) C4'-P energy: -144.645 bonds (distance) P-C4' energy: -120.544 flat angles C4'-P-C4' energy: -148.073 flat angles P-C4'-P energy: -107.845 tors. eta vs tors. theta energy: -193.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2104.601229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.601229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.601229 (E_RNA) where: Base-Base interactions energy: -1433.741 where: short stacking energy: -613.004 Base-Backbone interact. energy: -2.373 local terms energy: -668.487984 where: bonds (distance) C4'-P energy: -136.214 bonds (distance) P-C4' energy: -132.692 flat angles C4'-P-C4' energy: -158.630 flat angles P-C4'-P energy: -80.880 tors. eta vs tors. theta energy: -160.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1758.941626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.941626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.941626 (E_RNA) where: Base-Base interactions energy: -1151.988 where: short stacking energy: -505.294 Base-Backbone interact. energy: 1.132 local terms energy: -608.085092 where: bonds (distance) C4'-P energy: -129.703 bonds (distance) P-C4' energy: -140.760 flat angles C4'-P-C4' energy: -145.650 flat angles P-C4'-P energy: -82.188 tors. eta vs tors. theta energy: -109.784 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: 7, replica: 6 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1685.006190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.006190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.006190 (E_RNA) where: Base-Base interactions energy: -1084.383 where: short stacking energy: -471.130 Base-Backbone interact. energy: -5.202 local terms energy: -595.420885 where: bonds (distance) C4'-P energy: -126.942 bonds (distance) P-C4' energy: -128.025 flat angles C4'-P-C4' energy: -143.013 flat angles P-C4'-P energy: -86.001 tors. eta vs tors. theta energy: -111.440 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: 394 Temperature: 1.250000 Total energy: -1444.104344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.104344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.104344 (E_RNA) where: Base-Base interactions energy: -910.185 where: short stacking energy: -424.203 Base-Backbone interact. energy: -4.046 local terms energy: -529.873081 where: bonds (distance) C4'-P energy: -116.525 bonds (distance) P-C4' energy: -121.111 flat angles C4'-P-C4' energy: -140.433 flat angles P-C4'-P energy: -69.098 tors. eta vs tors. theta energy: -82.707 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: 5 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1247.137949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.137949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.137949 (E_RNA) where: Base-Base interactions energy: -735.106 where: short stacking energy: -341.103 Base-Backbone interact. energy: 1.594 local terms energy: -513.625744 where: bonds (distance) C4'-P energy: -128.011 bonds (distance) P-C4' energy: -133.346 flat angles C4'-P-C4' energy: -104.864 flat angles P-C4'-P energy: -76.776 tors. eta vs tors. theta energy: -70.629 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: 394 Temperature: 1.350000 Total energy: -868.716535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.716535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.716535 (E_RNA) where: Base-Base interactions energy: -468.450 where: short stacking energy: -231.721 Base-Backbone interact. energy: -2.182 local terms energy: -398.084689 where: bonds (distance) C4'-P energy: -100.463 bonds (distance) P-C4' energy: -113.860 flat angles C4'-P-C4' energy: -116.834 flat angles P-C4'-P energy: -76.019 tors. eta vs tors. theta energy: 9.091 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: 3 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -2610.349414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.349414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.349414 (E_RNA) where: Base-Base interactions energy: -1809.214 where: short stacking energy: -788.430 Base-Backbone interact. energy: -1.678 local terms energy: -799.457089 where: bonds (distance) C4'-P energy: -133.325 bonds (distance) P-C4' energy: -133.034 flat angles C4'-P-C4' energy: -170.781 flat angles P-C4'-P energy: -116.066 tors. eta vs tors. theta energy: -246.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2490.566868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.566868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.566868 (E_RNA) where: Base-Base interactions energy: -1698.129 where: short stacking energy: -752.742 Base-Backbone interact. energy: 0.889 local terms energy: -793.326869 where: bonds (distance) C4'-P energy: -142.706 bonds (distance) P-C4' energy: -151.478 flat angles C4'-P-C4' energy: -165.035 flat angles P-C4'-P energy: -108.989 tors. eta vs tors. theta energy: -225.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2359.491722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.491722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.491722 (E_RNA) where: Base-Base interactions energy: -1645.544 where: short stacking energy: -724.567 Base-Backbone interact. energy: -5.295 local terms energy: -708.652806 where: bonds (distance) C4'-P energy: -141.564 bonds (distance) P-C4' energy: -141.889 flat angles C4'-P-C4' energy: -150.031 flat angles P-C4'-P energy: -92.535 tors. eta vs tors. theta energy: -182.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2279.758908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.758908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.758908 (E_RNA) where: Base-Base interactions energy: -1536.123 where: short stacking energy: -668.180 Base-Backbone interact. energy: -3.171 local terms energy: -740.464538 where: bonds (distance) C4'-P energy: -134.300 bonds (distance) P-C4' energy: -149.986 flat angles C4'-P-C4' energy: -153.120 flat angles P-C4'-P energy: -114.308 tors. eta vs tors. theta energy: -188.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2133.023277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.023277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.023277 (E_RNA) where: Base-Base interactions energy: -1464.800 where: short stacking energy: -611.555 Base-Backbone interact. energy: -2.620 local terms energy: -665.603180 where: bonds (distance) C4'-P energy: -134.084 bonds (distance) P-C4' energy: -118.135 flat angles C4'-P-C4' energy: -154.553 flat angles P-C4'-P energy: -95.277 tors. eta vs tors. theta energy: -163.555 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: 395 Temperature: 1.150000 Total energy: -1710.811996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.811996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.811996 (E_RNA) where: Base-Base interactions energy: -1146.246 where: short stacking energy: -476.624 Base-Backbone interact. energy: 1.855 local terms energy: -566.420978 where: bonds (distance) C4'-P energy: -119.587 bonds (distance) P-C4' energy: -136.508 flat angles C4'-P-C4' energy: -124.263 flat angles P-C4'-P energy: -97.638 tors. eta vs tors. theta energy: -88.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1601.844843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.844843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.844843 (E_RNA) where: Base-Base interactions energy: -1030.301 where: short stacking energy: -478.362 Base-Backbone interact. energy: -1.949 local terms energy: -570.151325 where: bonds (distance) C4'-P energy: -126.486 bonds (distance) P-C4' energy: -114.192 flat angles C4'-P-C4' energy: -122.466 flat angles P-C4'-P energy: -100.094 tors. eta vs tors. theta energy: -106.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.556 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1433.859848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.859848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.859848 (E_RNA) where: Base-Base interactions energy: -890.748 where: short stacking energy: -386.100 Base-Backbone interact. energy: 0.895 local terms energy: -544.007189 where: bonds (distance) C4'-P energy: -125.099 bonds (distance) P-C4' energy: -143.049 flat angles C4'-P-C4' energy: -126.387 flat angles P-C4'-P energy: -65.228 tors. eta vs tors. theta energy: -84.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1187.793049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.793049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.793049 (E_RNA) where: Base-Base interactions energy: -718.065 where: short stacking energy: -361.787 Base-Backbone interact. energy: 1.273 local terms energy: -474.260848 where: bonds (distance) C4'-P energy: -94.796 bonds (distance) P-C4' energy: -119.787 flat angles C4'-P-C4' energy: -125.403 flat angles P-C4'-P energy: -71.480 tors. eta vs tors. theta energy: -62.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 3.260 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -796.387249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.387249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.387249 (E_RNA) where: Base-Base interactions energy: -388.448 where: short stacking energy: -232.556 Base-Backbone interact. energy: 2.274 local terms energy: -410.213321 where: bonds (distance) C4'-P energy: -118.799 bonds (distance) P-C4' energy: -122.646 flat angles C4'-P-C4' energy: -121.807 flat angles P-C4'-P energy: -50.360 tors. eta vs tors. theta energy: 3.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -2599.480329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.480329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.480329 (E_RNA) where: Base-Base interactions energy: -1769.424 where: short stacking energy: -748.614 Base-Backbone interact. energy: -3.085 local terms energy: -826.971869 where: bonds (distance) C4'-P energy: -154.421 bonds (distance) P-C4' energy: -153.285 flat angles C4'-P-C4' energy: -176.149 flat angles P-C4'-P energy: -115.002 tors. eta vs tors. theta energy: -228.115 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: 2 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2484.382895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.382895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.382895 (E_RNA) where: Base-Base interactions energy: -1709.742 where: short stacking energy: -721.558 Base-Backbone interact. energy: -2.563 local terms energy: -772.077732 where: bonds (distance) C4'-P energy: -136.189 bonds (distance) P-C4' energy: -150.926 flat angles C4'-P-C4' energy: -162.677 flat angles P-C4'-P energy: -102.132 tors. eta vs tors. theta energy: -220.154 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: 396 Temperature: 1.000000 Total energy: -2382.399897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.399897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.399897 (E_RNA) where: Base-Base interactions energy: -1615.057 where: short stacking energy: -671.711 Base-Backbone interact. energy: -6.185 local terms energy: -761.157366 where: bonds (distance) C4'-P energy: -131.205 bonds (distance) P-C4' energy: -149.327 flat angles C4'-P-C4' energy: -173.132 flat angles P-C4'-P energy: -109.466 tors. eta vs tors. theta energy: -198.028 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: 4, replica: 9 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2313.457756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.457756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.457756 (E_RNA) where: Base-Base interactions energy: -1580.274 where: short stacking energy: -670.169 Base-Backbone interact. energy: -0.301 local terms energy: -732.882654 where: bonds (distance) C4'-P energy: -119.318 bonds (distance) P-C4' energy: -155.177 flat angles C4'-P-C4' energy: -163.421 flat angles P-C4'-P energy: -100.794 tors. eta vs tors. theta energy: -194.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2139.670740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.670740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.670740 (E_RNA) where: Base-Base interactions energy: -1456.232 where: short stacking energy: -632.508 Base-Backbone interact. energy: -1.847 local terms energy: -681.592064 where: bonds (distance) C4'-P energy: -141.188 bonds (distance) P-C4' energy: -133.686 flat angles C4'-P-C4' energy: -137.119 flat angles P-C4'-P energy: -117.608 tors. eta vs tors. theta energy: -151.991 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: 4 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1709.075532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.075532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.075532 (E_RNA) where: Base-Base interactions energy: -1117.229 where: short stacking energy: -507.897 Base-Backbone interact. energy: 4.540 local terms energy: -596.385889 where: bonds (distance) C4'-P energy: -117.661 bonds (distance) P-C4' energy: -136.941 flat angles C4'-P-C4' energy: -138.131 flat angles P-C4'-P energy: -92.094 tors. eta vs tors. theta energy: -111.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1634.672548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.672548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.672548 (E_RNA) where: Base-Base interactions energy: -1082.439 where: short stacking energy: -502.089 Base-Backbone interact. energy: 0.533 local terms energy: -552.766367 where: bonds (distance) C4'-P energy: -124.568 bonds (distance) P-C4' energy: -121.601 flat angles C4'-P-C4' energy: -127.734 flat angles P-C4'-P energy: -73.049 tors. eta vs tors. theta energy: -105.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1437.410603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.410603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.410603 (E_RNA) where: Base-Base interactions energy: -932.308 where: short stacking energy: -426.644 Base-Backbone interact. energy: -2.243 local terms energy: -502.860115 where: bonds (distance) C4'-P energy: -123.617 bonds (distance) P-C4' energy: -129.073 flat angles C4'-P-C4' energy: -124.110 flat angles P-C4'-P energy: -63.138 tors. eta vs tors. theta energy: -62.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1225.759126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.759126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.759126 (E_RNA) where: Base-Base interactions energy: -760.366 where: short stacking energy: -358.493 Base-Backbone interact. energy: -0.966 local terms energy: -464.584658 where: bonds (distance) C4'-P energy: -129.973 bonds (distance) P-C4' energy: -108.492 flat angles C4'-P-C4' energy: -115.059 flat angles P-C4'-P energy: -66.569 tors. eta vs tors. theta energy: -44.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.157 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -838.529216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.529216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.529216 (E_RNA) where: Base-Base interactions energy: -420.751 where: short stacking energy: -251.170 Base-Backbone interact. energy: -2.752 local terms energy: -415.026206 where: bonds (distance) C4'-P energy: -93.719 bonds (distance) P-C4' energy: -130.165 flat angles C4'-P-C4' energy: -94.665 flat angles P-C4'-P energy: -77.655 tors. eta vs tors. theta energy: -18.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -2632.571543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.571543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.571543 (E_RNA) where: Base-Base interactions energy: -1809.242 where: short stacking energy: -782.572 Base-Backbone interact. energy: -1.053 local terms energy: -822.276622 where: bonds (distance) C4'-P energy: -115.995 bonds (distance) P-C4' energy: -159.058 flat angles C4'-P-C4' energy: -180.902 flat angles P-C4'-P energy: -122.110 tors. eta vs tors. theta energy: -244.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2486.517621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.517621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.517621 (E_RNA) where: Base-Base interactions energy: -1713.968 where: short stacking energy: -712.876 Base-Backbone interact. energy: -2.738 local terms energy: -769.810987 where: bonds (distance) C4'-P energy: -116.767 bonds (distance) P-C4' energy: -158.478 flat angles C4'-P-C4' energy: -169.779 flat angles P-C4'-P energy: -110.077 tors. eta vs tors. theta energy: -214.710 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: 7 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2401.859973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.859973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.859973 (E_RNA) where: Base-Base interactions energy: -1633.635 where: short stacking energy: -704.724 Base-Backbone interact. energy: 0.238 local terms energy: -768.462761 where: bonds (distance) C4'-P energy: -140.968 bonds (distance) P-C4' energy: -139.564 flat angles C4'-P-C4' energy: -158.407 flat angles P-C4'-P energy: -115.841 tors. eta vs tors. theta energy: -213.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2298.622071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.622071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.622071 (E_RNA) where: Base-Base interactions energy: -1582.643 where: short stacking energy: -687.943 Base-Backbone interact. energy: -2.405 local terms energy: -713.573720 where: bonds (distance) C4'-P energy: -133.940 bonds (distance) P-C4' energy: -137.334 flat angles C4'-P-C4' energy: -148.119 flat angles P-C4'-P energy: -110.164 tors. eta vs tors. theta energy: -184.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2096.739967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.739967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.739967 (E_RNA) where: Base-Base interactions energy: -1421.294 where: short stacking energy: -605.386 Base-Backbone interact. energy: -1.725 local terms energy: -673.720601 where: bonds (distance) C4'-P energy: -139.266 bonds (distance) P-C4' energy: -147.836 flat angles C4'-P-C4' energy: -139.817 flat angles P-C4'-P energy: -104.051 tors. eta vs tors. theta energy: -142.750 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: 4 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1754.717983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.717983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.717983 (E_RNA) where: Base-Base interactions energy: -1182.771 where: short stacking energy: -520.965 Base-Backbone interact. energy: -2.084 local terms energy: -569.862702 where: bonds (distance) C4'-P energy: -104.198 bonds (distance) P-C4' energy: -128.953 flat angles C4'-P-C4' energy: -121.519 flat angles P-C4'-P energy: -102.847 tors. eta vs tors. theta energy: -112.345 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: 6 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1646.241864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.241864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.241864 (E_RNA) where: Base-Base interactions energy: -1029.390 where: short stacking energy: -464.908 Base-Backbone interact. energy: -2.280 local terms energy: -614.571120 where: bonds (distance) C4'-P energy: -128.079 bonds (distance) P-C4' energy: -130.790 flat angles C4'-P-C4' energy: -126.215 flat angles P-C4'-P energy: -95.247 tors. eta vs tors. theta energy: -134.240 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: 397 Temperature: 1.250000 Total energy: -1497.743535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.743535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.743535 (E_RNA) where: Base-Base interactions energy: -957.629 where: short stacking energy: -448.409 Base-Backbone interact. energy: -2.721 local terms energy: -537.393337 where: bonds (distance) C4'-P energy: -133.324 bonds (distance) P-C4' energy: -115.112 flat angles C4'-P-C4' energy: -119.889 flat angles P-C4'-P energy: -75.521 tors. eta vs tors. theta energy: -93.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1265.142288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.142288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.142288 (E_RNA) where: Base-Base interactions energy: -755.557 where: short stacking energy: -364.464 Base-Backbone interact. energy: 3.790 local terms energy: -513.375806 where: bonds (distance) C4'-P energy: -108.398 bonds (distance) P-C4' energy: -134.953 flat angles C4'-P-C4' energy: -128.632 flat angles P-C4'-P energy: -77.847 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: 10, replica: 10 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -809.155490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.155490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.155490 (E_RNA) where: Base-Base interactions energy: -396.835 where: short stacking energy: -231.767 Base-Backbone interact. energy: -2.564 local terms energy: -409.757152 where: bonds (distance) C4'-P energy: -121.833 bonds (distance) P-C4' energy: -131.528 flat angles C4'-P-C4' energy: -104.994 flat angles P-C4'-P energy: -50.910 tors. eta vs tors. theta energy: -0.493 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: 3 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -2625.466974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.466974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.466974 (E_RNA) where: Base-Base interactions energy: -1801.377 where: short stacking energy: -761.508 Base-Backbone interact. energy: -1.262 local terms energy: -822.827781 where: bonds (distance) C4'-P energy: -143.816 bonds (distance) P-C4' energy: -159.186 flat angles C4'-P-C4' energy: -172.451 flat angles P-C4'-P energy: -116.278 tors. eta vs tors. theta energy: -231.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2466.318112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.318112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.318112 (E_RNA) where: Base-Base interactions energy: -1708.571 where: short stacking energy: -717.863 Base-Backbone interact. energy: 1.105 local terms energy: -758.852144 where: bonds (distance) C4'-P energy: -134.872 bonds (distance) P-C4' energy: -137.387 flat angles C4'-P-C4' energy: -161.063 flat angles P-C4'-P energy: -110.019 tors. eta vs tors. theta energy: -215.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2406.460172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.460172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.460172 (E_RNA) where: Base-Base interactions energy: -1662.011 where: short stacking energy: -685.619 Base-Backbone interact. energy: -3.704 local terms energy: -740.744897 where: bonds (distance) C4'-P energy: -140.812 bonds (distance) P-C4' energy: -136.773 flat angles C4'-P-C4' energy: -156.463 flat angles P-C4'-P energy: -116.063 tors. eta vs tors. theta energy: -190.635 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: 9 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2261.680879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.680879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.680879 (E_RNA) where: Base-Base interactions energy: -1558.938 where: short stacking energy: -659.014 Base-Backbone interact. energy: -0.492 local terms energy: -702.251471 where: bonds (distance) C4'-P energy: -140.353 bonds (distance) P-C4' energy: -131.597 flat angles C4'-P-C4' energy: -148.852 flat angles P-C4'-P energy: -94.016 tors. eta vs tors. theta energy: -187.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2140.026360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.026360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.026360 (E_RNA) where: Base-Base interactions energy: -1448.711 where: short stacking energy: -619.134 Base-Backbone interact. energy: 0.222 local terms energy: -691.537425 where: bonds (distance) C4'-P energy: -117.561 bonds (distance) P-C4' energy: -144.259 flat angles C4'-P-C4' energy: -173.492 flat angles P-C4'-P energy: -93.973 tors. eta vs tors. theta energy: -162.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1722.613616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.613616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.613616 (E_RNA) where: Base-Base interactions energy: -1126.930 where: short stacking energy: -512.802 Base-Backbone interact. energy: 0.365 local terms energy: -596.048826 where: bonds (distance) C4'-P energy: -121.730 bonds (distance) P-C4' energy: -141.863 flat angles C4'-P-C4' energy: -139.748 flat angles P-C4'-P energy: -81.522 tors. eta vs tors. theta energy: -111.185 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: 6 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1551.548812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.548812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.548812 (E_RNA) where: Base-Base interactions energy: -972.843 where: short stacking energy: -474.272 Base-Backbone interact. energy: 2.486 local terms energy: -581.191874 where: bonds (distance) C4'-P energy: -130.780 bonds (distance) P-C4' energy: -139.686 flat angles C4'-P-C4' energy: -128.323 flat angles P-C4'-P energy: -82.059 tors. eta vs tors. theta energy: -100.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1431.314552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.314552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.314552 (E_RNA) where: Base-Base interactions energy: -867.847 where: short stacking energy: -402.868 Base-Backbone interact. energy: 3.737 local terms energy: -567.204899 where: bonds (distance) C4'-P energy: -135.412 bonds (distance) P-C4' energy: -131.745 flat angles C4'-P-C4' energy: -145.900 flat angles P-C4'-P energy: -73.229 tors. eta vs tors. theta energy: -80.919 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: 9, replica: 5 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -1246.139011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.139011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.139011 (E_RNA) where: Base-Base interactions energy: -753.747 where: short stacking energy: -388.884 Base-Backbone interact. energy: -0.114 local terms energy: -492.278477 where: bonds (distance) C4'-P energy: -117.049 bonds (distance) P-C4' energy: -122.386 flat angles C4'-P-C4' energy: -112.239 flat angles P-C4'-P energy: -70.667 tors. eta vs tors. theta energy: -69.937 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: 10, replica: 10 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -866.118734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.118734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.118734 (E_RNA) where: Base-Base interactions energy: -463.135 where: short stacking energy: -242.424 Base-Backbone interact. energy: 0.920 local terms energy: -403.903659 where: bonds (distance) C4'-P energy: -140.730 bonds (distance) P-C4' energy: -118.049 flat angles C4'-P-C4' energy: -99.507 flat angles P-C4'-P energy: -56.542 tors. eta vs tors. theta energy: 10.925 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: 3 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -2583.904929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.904929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.904929 (E_RNA) where: Base-Base interactions energy: -1784.625 where: short stacking energy: -762.332 Base-Backbone interact. energy: -2.442 local terms energy: -796.837510 where: bonds (distance) C4'-P energy: -141.897 bonds (distance) P-C4' energy: -145.687 flat angles C4'-P-C4' energy: -176.651 flat angles P-C4'-P energy: -101.996 tors. eta vs tors. theta energy: -230.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2471.500941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.500941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.500941 (E_RNA) where: Base-Base interactions energy: -1699.442 where: short stacking energy: -729.678 Base-Backbone interact. energy: -3.658 local terms energy: -768.400844 where: bonds (distance) C4'-P energy: -125.988 bonds (distance) P-C4' energy: -141.964 flat angles C4'-P-C4' energy: -165.601 flat angles P-C4'-P energy: -116.683 tors. eta vs tors. theta energy: -218.165 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: 7 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2401.141653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.141653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.141653 (E_RNA) where: Base-Base interactions energy: -1665.578 where: short stacking energy: -716.794 Base-Backbone interact. energy: -4.706 local terms energy: -730.857492 where: bonds (distance) C4'-P energy: -128.717 bonds (distance) P-C4' energy: -154.082 flat angles C4'-P-C4' energy: -155.875 flat angles P-C4'-P energy: -97.830 tors. eta vs tors. theta energy: -194.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2293.239504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.239504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.239504 (E_RNA) where: Base-Base interactions energy: -1549.067 where: short stacking energy: -691.406 Base-Backbone interact. energy: -3.639 local terms energy: -742.751792 where: bonds (distance) C4'-P energy: -138.545 bonds (distance) P-C4' energy: -134.633 flat angles C4'-P-C4' energy: -158.424 flat angles P-C4'-P energy: -111.856 tors. eta vs tors. theta energy: -199.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 2.218 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2134.226715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.226715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.226715 (E_RNA) where: Base-Base interactions energy: -1478.363 where: short stacking energy: -621.753 Base-Backbone interact. energy: 2.555 local terms energy: -658.418175 where: bonds (distance) C4'-P energy: -116.050 bonds (distance) P-C4' energy: -140.458 flat angles C4'-P-C4' energy: -140.846 flat angles P-C4'-P energy: -99.029 tors. eta vs tors. theta energy: -162.036 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: 399 Temperature: 1.150000 Total energy: -1791.766108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.766108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.766108 (E_RNA) where: Base-Base interactions energy: -1187.125 where: short stacking energy: -517.460 Base-Backbone interact. energy: 3.395 local terms energy: -608.036090 where: bonds (distance) C4'-P energy: -116.275 bonds (distance) P-C4' energy: -132.796 flat angles C4'-P-C4' energy: -145.907 flat angles P-C4'-P energy: -84.289 tors. eta vs tors. theta energy: -128.769 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: 7, replica: 6 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1577.856585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.856585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.856585 (E_RNA) where: Base-Base interactions energy: -1002.134 where: short stacking energy: -475.520 Base-Backbone interact. energy: -3.459 local terms energy: -572.263769 where: bonds (distance) C4'-P energy: -116.134 bonds (distance) P-C4' energy: -136.540 flat angles C4'-P-C4' energy: -121.837 flat angles P-C4'-P energy: -84.402 tors. eta vs tors. theta energy: -113.350 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: 399 Temperature: 1.250000 Total energy: -1416.292542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.292542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.292542 (E_RNA) where: Base-Base interactions energy: -893.575 where: short stacking energy: -424.571 Base-Backbone interact. energy: -0.434 local terms energy: -522.283580 where: bonds (distance) C4'-P energy: -124.341 bonds (distance) P-C4' energy: -122.748 flat angles C4'-P-C4' energy: -130.476 flat angles P-C4'-P energy: -71.127 tors. eta vs tors. theta energy: -73.591 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: 5 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -1230.676530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.676530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.676530 (E_RNA) where: Base-Base interactions energy: -750.404 where: short stacking energy: -357.437 Base-Backbone interact. energy: 1.635 local terms energy: -482.159390 where: bonds (distance) C4'-P energy: -100.688 bonds (distance) P-C4' energy: -136.680 flat angles C4'-P-C4' energy: -139.693 flat angles P-C4'-P energy: -55.370 tors. eta vs tors. theta energy: -49.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.253 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -902.747570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.747570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.747570 (E_RNA) where: Base-Base interactions energy: -490.440 where: short stacking energy: -244.022 Base-Backbone interact. energy: 0.084 local terms energy: -412.391246 where: bonds (distance) C4'-P energy: -118.616 bonds (distance) P-C4' energy: -116.918 flat angles C4'-P-C4' energy: -89.424 flat angles P-C4'-P energy: -76.186 tors. eta vs tors. theta energy: -11.247 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: 2 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -2541.083362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.083362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.083362 (E_RNA) where: Base-Base interactions energy: -1708.538 where: short stacking energy: -738.149 Base-Backbone interact. energy: -2.772 local terms energy: -829.772692 where: bonds (distance) C4'-P energy: -148.401 bonds (distance) P-C4' energy: -154.418 flat angles C4'-P-C4' energy: -176.363 flat angles P-C4'-P energy: -125.050 tors. eta vs tors. theta energy: -225.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2507.973050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.973050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.973050 (E_RNA) where: Base-Base interactions energy: -1730.497 where: short stacking energy: -747.381 Base-Backbone interact. energy: -3.016 local terms energy: -774.460066 where: bonds (distance) C4'-P energy: -127.965 bonds (distance) P-C4' energy: -142.782 flat angles C4'-P-C4' energy: -175.896 flat angles P-C4'-P energy: -97.681 tors. eta vs tors. theta energy: -230.137 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: 400 Temperature: 1.000000 Total energy: -2362.583711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.583711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.583711 (E_RNA) where: Base-Base interactions energy: -1634.729 where: short stacking energy: -707.266 Base-Backbone interact. energy: -3.811 local terms energy: -724.044111 where: bonds (distance) C4'-P energy: -119.736 bonds (distance) P-C4' energy: -151.107 flat angles C4'-P-C4' energy: -156.944 flat angles P-C4'-P energy: -98.341 tors. eta vs tors. theta energy: -197.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2241.953663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.953663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.953663 (E_RNA) where: Base-Base interactions energy: -1538.100 where: short stacking energy: -663.846 Base-Backbone interact. energy: 3.423 local terms energy: -707.276869 where: bonds (distance) C4'-P energy: -127.816 bonds (distance) P-C4' energy: -149.707 flat angles C4'-P-C4' energy: -148.221 flat angles P-C4'-P energy: -89.898 tors. eta vs tors. theta energy: -191.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2108.492340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.492340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.492340 (E_RNA) where: Base-Base interactions energy: -1451.663 where: short stacking energy: -620.025 Base-Backbone interact. energy: -0.147 local terms energy: -656.682239 where: bonds (distance) C4'-P energy: -123.110 bonds (distance) P-C4' energy: -138.165 flat angles C4'-P-C4' energy: -158.159 flat angles P-C4'-P energy: -83.859 tors. eta vs tors. theta energy: -153.389 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: 6, replica: 4 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1779.929049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.929049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.929049 (E_RNA) where: Base-Base interactions energy: -1147.463 where: short stacking energy: -500.476 Base-Backbone interact. energy: -3.099 local terms energy: -629.366871 where: bonds (distance) C4'-P energy: -141.182 bonds (distance) P-C4' energy: -141.380 flat angles C4'-P-C4' energy: -147.139 flat angles P-C4'-P energy: -94.746 tors. eta vs tors. theta energy: -104.920 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: 6 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1530.170015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.170015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.170015 (E_RNA) where: Base-Base interactions energy: -992.280 where: short stacking energy: -465.429 Base-Backbone interact. energy: -0.912 local terms energy: -536.977602 where: bonds (distance) C4'-P energy: -110.149 bonds (distance) P-C4' energy: -125.738 flat angles C4'-P-C4' energy: -144.403 flat angles P-C4'-P energy: -77.320 tors. eta vs tors. theta energy: -79.367 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: 400 Temperature: 1.250000 Total energy: -1466.163255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.163255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.163255 (E_RNA) where: Base-Base interactions energy: -940.468 where: short stacking energy: -452.625 Base-Backbone interact. energy: 0.598 local terms energy: -526.293047 where: bonds (distance) C4'-P energy: -115.760 bonds (distance) P-C4' energy: -124.958 flat angles C4'-P-C4' energy: -116.388 flat angles P-C4'-P energy: -78.797 tors. eta vs tors. theta energy: -90.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -1258.903180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.903180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.903180 (E_RNA) where: Base-Base interactions energy: -769.413 where: short stacking energy: -342.238 Base-Backbone interact. energy: -4.039 local terms energy: -485.548087 where: bonds (distance) C4'-P energy: -129.823 bonds (distance) P-C4' energy: -108.733 flat angles C4'-P-C4' energy: -116.191 flat angles P-C4'-P energy: -81.313 tors. eta vs tors. theta energy: -49.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.097 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -786.422711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.422711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.422711 (E_RNA) where: Base-Base interactions energy: -376.831 where: short stacking energy: -227.645 Base-Backbone interact. energy: 15.279 local terms energy: -424.870648 where: bonds (distance) C4'-P energy: -112.928 bonds (distance) P-C4' energy: -148.121 flat angles C4'-P-C4' energy: -99.945 flat angles P-C4'-P energy: -76.739 tors. eta vs tors. theta energy: 12.862 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: 2 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -2546.407112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.407112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.407112 (E_RNA) where: Base-Base interactions energy: -1756.874 where: short stacking energy: -758.932 Base-Backbone interact. energy: -0.820 local terms energy: -788.712674 where: bonds (distance) C4'-P energy: -128.063 bonds (distance) P-C4' energy: -155.049 flat angles C4'-P-C4' energy: -181.414 flat angles P-C4'-P energy: -105.170 tors. eta vs tors. theta energy: -219.016 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: 3 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2534.810189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.810189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.810189 (E_RNA) where: Base-Base interactions energy: -1729.890 where: short stacking energy: -785.705 Base-Backbone interact. energy: -1.247 local terms energy: -803.673458 where: bonds (distance) C4'-P energy: -131.749 bonds (distance) P-C4' energy: -146.921 flat angles C4'-P-C4' energy: -174.392 flat angles P-C4'-P energy: -110.673 tors. eta vs tors. theta energy: -239.938 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: 7 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2399.788504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.788504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.788504 (E_RNA) where: Base-Base interactions energy: -1648.368 where: short stacking energy: -694.541 Base-Backbone interact. energy: -1.819 local terms energy: -749.602254 where: bonds (distance) C4'-P energy: -137.916 bonds (distance) P-C4' energy: -133.096 flat angles C4'-P-C4' energy: -168.383 flat angles P-C4'-P energy: -110.046 tors. eta vs tors. theta energy: -200.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2320.543167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.543167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.543167 (E_RNA) where: Base-Base interactions energy: -1593.544 where: short stacking energy: -707.278 Base-Backbone interact. energy: -0.624 local terms energy: -726.375025 where: bonds (distance) C4'-P energy: -122.216 bonds (distance) P-C4' energy: -142.959 flat angles C4'-P-C4' energy: -162.028 flat angles P-C4'-P energy: -106.660 tors. eta vs tors. theta energy: -192.512 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: 8 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2094.627979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.627979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.627979 (E_RNA) where: Base-Base interactions energy: -1424.202 where: short stacking energy: -580.111 Base-Backbone interact. energy: -3.779 local terms energy: -666.647154 where: bonds (distance) C4'-P energy: -130.243 bonds (distance) P-C4' energy: -143.641 flat angles C4'-P-C4' energy: -144.609 flat angles P-C4'-P energy: -104.060 tors. eta vs tors. theta energy: -144.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1782.473184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.473184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.473184 (E_RNA) where: Base-Base interactions energy: -1190.870 where: short stacking energy: -505.623 Base-Backbone interact. energy: -0.769 local terms energy: -590.833552 where: bonds (distance) C4'-P energy: -110.756 bonds (distance) P-C4' energy: -143.844 flat angles C4'-P-C4' energy: -136.047 flat angles P-C4'-P energy: -79.567 tors. eta vs tors. theta energy: -120.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1601.359346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.359346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.359346 (E_RNA) where: Base-Base interactions energy: -1022.898 where: short stacking energy: -468.009 Base-Backbone interact. energy: 8.985 local terms energy: -587.446313 where: bonds (distance) C4'-P energy: -138.482 bonds (distance) P-C4' energy: -124.539 flat angles C4'-P-C4' energy: -134.911 flat angles P-C4'-P energy: -81.741 tors. eta vs tors. theta energy: -107.774 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: 8, replica: 1 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1412.774936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.774936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.774936 (E_RNA) where: Base-Base interactions energy: -880.419 where: short stacking energy: -410.054 Base-Backbone interact. energy: 3.145 local terms energy: -535.500507 where: bonds (distance) C4'-P energy: -119.770 bonds (distance) P-C4' energy: -127.910 flat angles C4'-P-C4' energy: -128.290 flat angles P-C4'-P energy: -80.505 tors. eta vs tors. theta energy: -79.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -1327.790877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.790877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.790877 (E_RNA) where: Base-Base interactions energy: -848.094 where: short stacking energy: -392.445 Base-Backbone interact. energy: 0.560 local terms energy: -480.256344 where: bonds (distance) C4'-P energy: -91.899 bonds (distance) P-C4' energy: -142.708 flat angles C4'-P-C4' energy: -123.838 flat angles P-C4'-P energy: -62.393 tors. eta vs tors. theta energy: -59.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -871.093703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.093703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.093703 (E_RNA) where: Base-Base interactions energy: -478.073 where: short stacking energy: -232.706 Base-Backbone interact. energy: 2.899 local terms energy: -395.919267 where: bonds (distance) C4'-P energy: -119.269 bonds (distance) P-C4' energy: -144.903 flat angles C4'-P-C4' energy: -79.921 flat angles P-C4'-P energy: -48.615 tors. eta vs tors. theta energy: -3.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -2517.056522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.056522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.056522 (E_RNA) where: Base-Base interactions energy: -1738.709 where: short stacking energy: -728.360 Base-Backbone interact. energy: -0.885 local terms energy: -777.462768 where: bonds (distance) C4'-P energy: -144.752 bonds (distance) P-C4' energy: -140.254 flat angles C4'-P-C4' energy: -168.935 flat angles P-C4'-P energy: -106.632 tors. eta vs tors. theta energy: -216.889 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: 2, replica: 3 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2557.658478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.658478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.658478 (E_RNA) where: Base-Base interactions energy: -1742.904 where: short stacking energy: -792.743 Base-Backbone interact. energy: -2.208 local terms energy: -812.546366 where: bonds (distance) C4'-P energy: -144.939 bonds (distance) P-C4' energy: -143.977 flat angles C4'-P-C4' energy: -167.221 flat angles P-C4'-P energy: -115.924 tors. eta vs tors. theta energy: -240.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2364.387292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.387292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.387292 (E_RNA) where: Base-Base interactions energy: -1615.782 where: short stacking energy: -682.362 Base-Backbone interact. energy: -2.488 local terms energy: -746.117140 where: bonds (distance) C4'-P energy: -149.143 bonds (distance) P-C4' energy: -139.324 flat angles C4'-P-C4' energy: -160.983 flat angles P-C4'-P energy: -112.325 tors. eta vs tors. theta energy: -184.342 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: 402 Temperature: 1.050000 Total energy: -2263.447597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.447597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.447597 (E_RNA) where: Base-Base interactions energy: -1533.738 where: short stacking energy: -661.786 Base-Backbone interact. energy: 2.850 local terms energy: -732.560393 where: bonds (distance) C4'-P energy: -138.578 bonds (distance) P-C4' energy: -147.159 flat angles C4'-P-C4' energy: -163.643 flat angles P-C4'-P energy: -92.422 tors. eta vs tors. theta energy: -190.759 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: 8 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2142.282891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.282891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.282891 (E_RNA) where: Base-Base interactions energy: -1451.159 where: short stacking energy: -575.506 Base-Backbone interact. energy: -2.580 local terms energy: -688.543852 where: bonds (distance) C4'-P energy: -139.159 bonds (distance) P-C4' energy: -150.244 flat angles C4'-P-C4' energy: -155.390 flat angles P-C4'-P energy: -83.984 tors. eta vs tors. theta energy: -159.767 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: 6, replica: 4 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1813.004387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.004387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.004387 (E_RNA) where: Base-Base interactions energy: -1213.432 where: short stacking energy: -507.410 Base-Backbone interact. energy: -2.356 local terms energy: -597.217307 where: bonds (distance) C4'-P energy: -130.178 bonds (distance) P-C4' energy: -127.527 flat angles C4'-P-C4' energy: -140.384 flat angles P-C4'-P energy: -76.473 tors. eta vs tors. theta energy: -122.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1576.742480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.742480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.742480 (E_RNA) where: Base-Base interactions energy: -1008.523 where: short stacking energy: -438.413 Base-Backbone interact. energy: 2.033 local terms energy: -570.252054 where: bonds (distance) C4'-P energy: -103.693 bonds (distance) P-C4' energy: -140.759 flat angles C4'-P-C4' energy: -134.111 flat angles P-C4'-P energy: -74.865 tors. eta vs tors. theta energy: -116.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1275.471459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.471459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.471459 (E_RNA) where: Base-Base interactions energy: -795.333 where: short stacking energy: -357.055 Base-Backbone interact. energy: -4.004 local terms energy: -476.134387 where: bonds (distance) C4'-P energy: -127.658 bonds (distance) P-C4' energy: -118.411 flat angles C4'-P-C4' energy: -120.253 flat angles P-C4'-P energy: -54.042 tors. eta vs tors. theta energy: -55.770 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: 5 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1292.230311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.230311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.230311 (E_RNA) where: Base-Base interactions energy: -813.268 where: short stacking energy: -363.147 Base-Backbone interact. energy: -0.960 local terms energy: -478.001767 where: bonds (distance) C4'-P energy: -85.734 bonds (distance) P-C4' energy: -117.378 flat angles C4'-P-C4' energy: -141.077 flat angles P-C4'-P energy: -70.399 tors. eta vs tors. theta energy: -63.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -866.609491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.609491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.609491 (E_RNA) where: Base-Base interactions energy: -458.736 where: short stacking energy: -247.278 Base-Backbone interact. energy: -0.195 local terms energy: -407.678768 where: bonds (distance) C4'-P energy: -131.835 bonds (distance) P-C4' energy: -107.783 flat angles C4'-P-C4' energy: -110.785 flat angles P-C4'-P energy: -64.304 tors. eta vs tors. theta energy: 7.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -2545.029971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.029971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.029971 (E_RNA) where: Base-Base interactions energy: -1726.180 where: short stacking energy: -760.559 Base-Backbone interact. energy: -5.384 local terms energy: -813.465143 where: bonds (distance) C4'-P energy: -152.855 bonds (distance) P-C4' energy: -156.733 flat angles C4'-P-C4' energy: -176.050 flat angles P-C4'-P energy: -100.882 tors. eta vs tors. theta energy: -226.945 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: 3 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2583.441436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.441436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.441436 (E_RNA) where: Base-Base interactions energy: -1745.489 where: short stacking energy: -760.233 Base-Backbone interact. energy: -1.578 local terms energy: -836.374486 where: bonds (distance) C4'-P energy: -155.123 bonds (distance) P-C4' energy: -155.575 flat angles C4'-P-C4' energy: -184.264 flat angles P-C4'-P energy: -106.788 tors. eta vs tors. theta energy: -234.625 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: 7 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2387.325648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.325648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.325648 (E_RNA) where: Base-Base interactions energy: -1641.590 where: short stacking energy: -696.094 Base-Backbone interact. energy: 4.596 local terms energy: -750.332446 where: bonds (distance) C4'-P energy: -150.379 bonds (distance) P-C4' energy: -138.306 flat angles C4'-P-C4' energy: -158.286 flat angles P-C4'-P energy: -119.156 tors. eta vs tors. theta energy: -184.205 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: 9 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2280.030408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.030408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.030408 (E_RNA) where: Base-Base interactions energy: -1589.692 where: short stacking energy: -658.151 Base-Backbone interact. energy: 2.628 local terms energy: -692.966386 where: bonds (distance) C4'-P energy: -122.415 bonds (distance) P-C4' energy: -130.290 flat angles C4'-P-C4' energy: -151.301 flat angles P-C4'-P energy: -110.375 tors. eta vs tors. theta energy: -178.585 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: 8 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2182.823425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.823425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.823425 (E_RNA) where: Base-Base interactions energy: -1505.445 where: short stacking energy: -608.681 Base-Backbone interact. energy: -2.575 local terms energy: -674.804063 where: bonds (distance) C4'-P energy: -125.017 bonds (distance) P-C4' energy: -141.866 flat angles C4'-P-C4' energy: -146.397 flat angles P-C4'-P energy: -84.121 tors. eta vs tors. theta energy: -177.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1850.331061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.331061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.331061 (E_RNA) where: Base-Base interactions energy: -1234.790 where: short stacking energy: -515.908 Base-Backbone interact. energy: 3.142 local terms energy: -618.682614 where: bonds (distance) C4'-P energy: -129.655 bonds (distance) P-C4' energy: -129.166 flat angles C4'-P-C4' energy: -146.670 flat angles P-C4'-P energy: -83.635 tors. eta vs tors. theta energy: -129.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1549.893179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.893179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.893179 (E_RNA) where: Base-Base interactions energy: -993.086 where: short stacking energy: -441.447 Base-Backbone interact. energy: 2.207 local terms energy: -559.013700 where: bonds (distance) C4'-P energy: -130.165 bonds (distance) P-C4' energy: -132.770 flat angles C4'-P-C4' energy: -125.769 flat angles P-C4'-P energy: -79.821 tors. eta vs tors. theta energy: -90.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1341.463897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.463897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.463897 (E_RNA) where: Base-Base interactions energy: -842.679 where: short stacking energy: -405.474 Base-Backbone interact. energy: -0.922 local terms energy: -497.862144 where: bonds (distance) C4'-P energy: -108.270 bonds (distance) P-C4' energy: -117.217 flat angles C4'-P-C4' energy: -127.321 flat angles P-C4'-P energy: -77.210 tors. eta vs tors. theta energy: -67.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -1309.116011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.116011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.116011 (E_RNA) where: Base-Base interactions energy: -844.440 where: short stacking energy: -383.919 Base-Backbone interact. energy: 5.840 local terms energy: -470.604782 where: bonds (distance) C4'-P energy: -112.206 bonds (distance) P-C4' energy: -124.943 flat angles C4'-P-C4' energy: -119.347 flat angles P-C4'-P energy: -71.894 tors. eta vs tors. theta energy: -42.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.089 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -798.578321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.578321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.578321 (E_RNA) where: Base-Base interactions energy: -415.415 where: short stacking energy: -215.521 Base-Backbone interact. energy: 0.302 local terms energy: -383.465779 where: bonds (distance) C4'-P energy: -123.659 bonds (distance) P-C4' energy: -117.963 flat angles C4'-P-C4' energy: -104.006 flat angles P-C4'-P energy: -43.261 tors. eta vs tors. theta energy: 5.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -2601.450880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.450880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.450880 (E_RNA) where: Base-Base interactions energy: -1776.517 where: short stacking energy: -775.040 Base-Backbone interact. energy: -1.518 local terms energy: -823.415998 where: bonds (distance) C4'-P energy: -145.113 bonds (distance) P-C4' energy: -152.715 flat angles C4'-P-C4' energy: -172.432 flat angles P-C4'-P energy: -109.947 tors. eta vs tors. theta energy: -243.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2518.013875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.013875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.013875 (E_RNA) where: Base-Base interactions energy: -1739.866 where: short stacking energy: -743.846 Base-Backbone interact. energy: -5.383 local terms energy: -772.764905 where: bonds (distance) C4'-P energy: -135.620 bonds (distance) P-C4' energy: -143.748 flat angles C4'-P-C4' energy: -162.880 flat angles P-C4'-P energy: -116.690 tors. eta vs tors. theta energy: -213.826 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: 3, replica: 9 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2361.672973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.672973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.672973 (E_RNA) where: Base-Base interactions energy: -1604.705 where: short stacking energy: -693.486 Base-Backbone interact. energy: -2.615 local terms energy: -754.353193 where: bonds (distance) C4'-P energy: -129.157 bonds (distance) P-C4' energy: -143.225 flat angles C4'-P-C4' energy: -174.570 flat angles P-C4'-P energy: -103.388 tors. eta vs tors. theta energy: -204.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2369.160595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.160595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.160595 (E_RNA) where: Base-Base interactions energy: -1659.515 where: short stacking energy: -680.281 Base-Backbone interact. energy: -1.666 local terms energy: -707.979744 where: bonds (distance) C4'-P energy: -131.947 bonds (distance) P-C4' energy: -134.761 flat angles C4'-P-C4' energy: -153.860 flat angles P-C4'-P energy: -93.279 tors. eta vs tors. theta energy: -194.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -2144.824126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.824126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.824126 (E_RNA) where: Base-Base interactions energy: -1467.643 where: short stacking energy: -628.243 Base-Backbone interact. energy: -1.713 local terms energy: -675.468467 where: bonds (distance) C4'-P energy: -124.322 bonds (distance) P-C4' energy: -131.496 flat angles C4'-P-C4' energy: -143.890 flat angles P-C4'-P energy: -103.654 tors. eta vs tors. theta energy: -172.106 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: 4 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1864.462277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.462277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.462277 (E_RNA) where: Base-Base interactions energy: -1237.271 where: short stacking energy: -543.400 Base-Backbone interact. energy: -0.571 local terms energy: -626.620293 where: bonds (distance) C4'-P energy: -132.061 bonds (distance) P-C4' energy: -128.562 flat angles C4'-P-C4' energy: -139.309 flat angles P-C4'-P energy: -99.590 tors. eta vs tors. theta energy: -127.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1580.653599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.653599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.653599 (E_RNA) where: Base-Base interactions energy: -986.673 where: short stacking energy: -433.442 Base-Backbone interact. energy: -3.069 local terms energy: -590.911288 where: bonds (distance) C4'-P energy: -122.512 bonds (distance) P-C4' energy: -141.704 flat angles C4'-P-C4' energy: -146.162 flat angles P-C4'-P energy: -84.910 tors. eta vs tors. theta energy: -95.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1309.126315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.126315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.126315 (E_RNA) where: Base-Base interactions energy: -819.883 where: short stacking energy: -390.554 Base-Backbone interact. energy: -4.900 local terms energy: -484.343570 where: bonds (distance) C4'-P energy: -121.969 bonds (distance) P-C4' energy: -136.901 flat angles C4'-P-C4' energy: -95.212 flat angles P-C4'-P energy: -60.378 tors. eta vs tors. theta energy: -69.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -1253.048986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.048986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.048986 (E_RNA) where: Base-Base interactions energy: -748.929 where: short stacking energy: -356.063 Base-Backbone interact. energy: -0.054 local terms energy: -504.065393 where: bonds (distance) C4'-P energy: -129.073 bonds (distance) P-C4' energy: -130.128 flat angles C4'-P-C4' energy: -128.644 flat angles P-C4'-P energy: -46.936 tors. eta vs tors. theta energy: -69.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -783.195871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.195871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.195871 (E_RNA) where: Base-Base interactions energy: -363.186 where: short stacking energy: -193.210 Base-Backbone interact. energy: -0.523 local terms energy: -419.486334 where: bonds (distance) C4'-P energy: -127.214 bonds (distance) P-C4' energy: -128.383 flat angles C4'-P-C4' energy: -99.808 flat angles P-C4'-P energy: -78.516 tors. eta vs tors. theta energy: 14.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -2621.660054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.660054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.660054 (E_RNA) where: Base-Base interactions energy: -1805.667 where: short stacking energy: -766.745 Base-Backbone interact. energy: -0.371 local terms energy: -815.622278 where: bonds (distance) C4'-P energy: -152.065 bonds (distance) P-C4' energy: -138.925 flat angles C4'-P-C4' energy: -176.570 flat angles P-C4'-P energy: -107.292 tors. eta vs tors. theta energy: -240.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2494.767759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.767759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.767759 (E_RNA) where: Base-Base interactions energy: -1700.368 where: short stacking energy: -746.731 Base-Backbone interact. energy: -1.379 local terms energy: -793.021161 where: bonds (distance) C4'-P energy: -148.026 bonds (distance) P-C4' energy: -150.250 flat angles C4'-P-C4' energy: -162.608 flat angles P-C4'-P energy: -102.908 tors. eta vs tors. theta energy: -229.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2348.599936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.599936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.599936 (E_RNA) where: Base-Base interactions energy: -1617.263 where: short stacking energy: -687.889 Base-Backbone interact. energy: 4.516 local terms energy: -735.852749 where: bonds (distance) C4'-P energy: -145.862 bonds (distance) P-C4' energy: -149.593 flat angles C4'-P-C4' energy: -155.960 flat angles P-C4'-P energy: -89.239 tors. eta vs tors. theta energy: -195.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2367.315271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.315271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.315271 (E_RNA) where: Base-Base interactions energy: -1639.737 where: short stacking energy: -667.808 Base-Backbone interact. energy: -2.208 local terms energy: -725.370259 where: bonds (distance) C4'-P energy: -134.378 bonds (distance) P-C4' energy: -130.769 flat angles C4'-P-C4' energy: -171.460 flat angles P-C4'-P energy: -100.588 tors. eta vs tors. theta energy: -188.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2163.946650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.946650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.946650 (E_RNA) where: Base-Base interactions energy: -1431.905 where: short stacking energy: -621.258 Base-Backbone interact. energy: -3.318 local terms energy: -728.723830 where: bonds (distance) C4'-P energy: -133.718 bonds (distance) P-C4' energy: -153.493 flat angles C4'-P-C4' energy: -160.173 flat angles P-C4'-P energy: -104.175 tors. eta vs tors. theta energy: -177.165 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: 4 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1848.128234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.128234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.128234 (E_RNA) where: Base-Base interactions energy: -1244.921 where: short stacking energy: -537.244 Base-Backbone interact. energy: -0.902 local terms energy: -602.305944 where: bonds (distance) C4'-P energy: -114.863 bonds (distance) P-C4' energy: -123.516 flat angles C4'-P-C4' energy: -144.595 flat angles P-C4'-P energy: -84.006 tors. eta vs tors. theta energy: -135.326 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: 7, replica: 6 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1575.787044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.787044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.787044 (E_RNA) where: Base-Base interactions energy: -1023.870 where: short stacking energy: -442.966 Base-Backbone interact. energy: 2.213 local terms energy: -554.129466 where: bonds (distance) C4'-P energy: -117.330 bonds (distance) P-C4' energy: -130.946 flat angles C4'-P-C4' energy: -135.888 flat angles P-C4'-P energy: -70.580 tors. eta vs tors. theta energy: -99.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1312.501042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.501042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.501042 (E_RNA) where: Base-Base interactions energy: -792.202 where: short stacking energy: -394.906 Base-Backbone interact. energy: -2.803 local terms energy: -517.496698 where: bonds (distance) C4'-P energy: -116.772 bonds (distance) P-C4' energy: -145.252 flat angles C4'-P-C4' energy: -113.397 flat angles P-C4'-P energy: -77.753 tors. eta vs tors. theta energy: -64.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1208.471367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.471367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.471367 (E_RNA) where: Base-Base interactions energy: -729.660 where: short stacking energy: -340.592 Base-Backbone interact. energy: -1.155 local terms energy: -477.656530 where: bonds (distance) C4'-P energy: -103.050 bonds (distance) P-C4' energy: -137.204 flat angles C4'-P-C4' energy: -115.656 flat angles P-C4'-P energy: -59.662 tors. eta vs tors. theta energy: -62.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -712.839580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.839580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.839580 (E_RNA) where: Base-Base interactions energy: -325.872 where: short stacking energy: -213.465 Base-Backbone interact. energy: 0.596 local terms energy: -387.563155 where: bonds (distance) C4'-P energy: -122.670 bonds (distance) P-C4' energy: -110.852 flat angles C4'-P-C4' energy: -96.742 flat angles P-C4'-P energy: -69.582 tors. eta vs tors. theta energy: 12.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -2632.905685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.905685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.905685 (E_RNA) where: Base-Base interactions energy: -1816.088 where: short stacking energy: -789.623 Base-Backbone interact. energy: 0.288 local terms energy: -817.105728 where: bonds (distance) C4'-P energy: -136.853 bonds (distance) P-C4' energy: -156.903 flat angles C4'-P-C4' energy: -165.707 flat angles P-C4'-P energy: -115.419 tors. eta vs tors. theta energy: -242.224 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: 2 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2481.379140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.379140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.379140 (E_RNA) where: Base-Base interactions energy: -1714.862 where: short stacking energy: -742.469 Base-Backbone interact. energy: -0.711 local terms energy: -765.805313 where: bonds (distance) C4'-P energy: -150.668 bonds (distance) P-C4' energy: -144.035 flat angles C4'-P-C4' energy: -158.450 flat angles P-C4'-P energy: -97.537 tors. eta vs tors. theta energy: -215.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2415.538824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.538824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.538824 (E_RNA) where: Base-Base interactions energy: -1692.245 where: short stacking energy: -727.593 Base-Backbone interact. energy: -4.617 local terms energy: -718.676833 where: bonds (distance) C4'-P energy: -125.530 bonds (distance) P-C4' energy: -136.215 flat angles C4'-P-C4' energy: -153.658 flat angles P-C4'-P energy: -88.946 tors. eta vs tors. theta energy: -214.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2243.302038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.302038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.302038 (E_RNA) where: Base-Base interactions energy: -1508.677 where: short stacking energy: -656.321 Base-Backbone interact. energy: -1.550 local terms energy: -733.074665 where: bonds (distance) C4'-P energy: -145.640 bonds (distance) P-C4' energy: -143.449 flat angles C4'-P-C4' energy: -153.788 flat angles P-C4'-P energy: -92.094 tors. eta vs tors. theta energy: -198.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2124.270640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.270640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.270640 (E_RNA) where: Base-Base interactions energy: -1447.651 where: short stacking energy: -641.825 Base-Backbone interact. energy: 0.750 local terms energy: -677.369987 where: bonds (distance) C4'-P energy: -125.215 bonds (distance) P-C4' energy: -126.775 flat angles C4'-P-C4' energy: -149.416 flat angles P-C4'-P energy: -105.359 tors. eta vs tors. theta energy: -170.605 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: 6, replica: 4 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1868.534975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.534975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.534975 (E_RNA) where: Base-Base interactions energy: -1246.628 where: short stacking energy: -503.313 Base-Backbone interact. energy: 0.163 local terms energy: -622.070454 where: bonds (distance) C4'-P energy: -128.568 bonds (distance) P-C4' energy: -144.908 flat angles C4'-P-C4' energy: -148.248 flat angles P-C4'-P energy: -73.793 tors. eta vs tors. theta energy: -126.554 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: 6 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1528.347330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.347330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.347330 (E_RNA) where: Base-Base interactions energy: -1009.555 where: short stacking energy: -467.049 Base-Backbone interact. energy: 2.435 local terms energy: -521.227347 where: bonds (distance) C4'-P energy: -126.761 bonds (distance) P-C4' energy: -115.912 flat angles C4'-P-C4' energy: -123.894 flat angles P-C4'-P energy: -58.911 tors. eta vs tors. theta energy: -95.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1275.159206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.159206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.159206 (E_RNA) where: Base-Base interactions energy: -786.317 where: short stacking energy: -381.837 Base-Backbone interact. energy: 3.368 local terms energy: -492.209754 where: bonds (distance) C4'-P energy: -107.552 bonds (distance) P-C4' energy: -124.867 flat angles C4'-P-C4' energy: -122.345 flat angles P-C4'-P energy: -74.082 tors. eta vs tors. theta energy: -63.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -1218.125243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.125243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.125243 (E_RNA) where: Base-Base interactions energy: -747.813 where: short stacking energy: -348.256 Base-Backbone interact. energy: -0.494 local terms energy: -469.818047 where: bonds (distance) C4'-P energy: -122.199 bonds (distance) P-C4' energy: -111.985 flat angles C4'-P-C4' energy: -106.438 flat angles P-C4'-P energy: -66.640 tors. eta vs tors. theta energy: -62.557 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: 406 Temperature: 1.350000 Total energy: -748.560353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.560353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.560353 (E_RNA) where: Base-Base interactions energy: -363.910 where: short stacking energy: -188.194 Base-Backbone interact. energy: -1.583 local terms energy: -383.067567 where: bonds (distance) C4'-P energy: -113.751 bonds (distance) P-C4' energy: -129.573 flat angles C4'-P-C4' energy: -93.004 flat angles P-C4'-P energy: -63.273 tors. eta vs tors. theta energy: 16.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -2624.120418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.120418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.120418 (E_RNA) where: Base-Base interactions energy: -1803.312 where: short stacking energy: -782.654 Base-Backbone interact. energy: 1.010 local terms energy: -821.818185 where: bonds (distance) C4'-P energy: -143.318 bonds (distance) P-C4' energy: -147.474 flat angles C4'-P-C4' energy: -181.678 flat angles P-C4'-P energy: -111.890 tors. eta vs tors. theta energy: -237.458 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: 2 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2471.148589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.148589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.148589 (E_RNA) where: Base-Base interactions energy: -1668.218 where: short stacking energy: -716.270 Base-Backbone interact. energy: 0.695 local terms energy: -803.625551 where: bonds (distance) C4'-P energy: -148.979 bonds (distance) P-C4' energy: -164.052 flat angles C4'-P-C4' energy: -167.173 flat angles P-C4'-P energy: -119.054 tors. eta vs tors. theta energy: -204.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2413.714004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.714004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.714004 (E_RNA) where: Base-Base interactions energy: -1703.521 where: short stacking energy: -730.755 Base-Backbone interact. energy: -3.868 local terms energy: -706.325200 where: bonds (distance) C4'-P energy: -131.555 bonds (distance) P-C4' energy: -115.381 flat angles C4'-P-C4' energy: -149.934 flat angles P-C4'-P energy: -106.651 tors. eta vs tors. theta energy: -202.804 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: 4, replica: 9 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2279.843958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.843958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.843958 (E_RNA) where: Base-Base interactions energy: -1576.318 where: short stacking energy: -671.749 Base-Backbone interact. energy: -0.824 local terms energy: -702.702077 where: bonds (distance) C4'-P energy: -135.023 bonds (distance) P-C4' energy: -138.412 flat angles C4'-P-C4' energy: -156.175 flat angles P-C4'-P energy: -85.691 tors. eta vs tors. theta energy: -187.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -2145.122804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.122804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.122804 (E_RNA) where: Base-Base interactions energy: -1466.770 where: short stacking energy: -637.625 Base-Backbone interact. energy: -2.201 local terms energy: -676.152338 where: bonds (distance) C4'-P energy: -128.526 bonds (distance) P-C4' energy: -138.398 flat angles C4'-P-C4' energy: -151.284 flat angles P-C4'-P energy: -89.893 tors. eta vs tors. theta energy: -168.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1878.048211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.048211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.048211 (E_RNA) where: Base-Base interactions energy: -1264.281 where: short stacking energy: -552.115 Base-Backbone interact. energy: -2.056 local terms energy: -611.711656 where: bonds (distance) C4'-P energy: -131.512 bonds (distance) P-C4' energy: -139.218 flat angles C4'-P-C4' energy: -137.631 flat angles P-C4'-P energy: -59.903 tors. eta vs tors. theta energy: -143.446 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: 7, replica: 6 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1564.221865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.221865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.221865 (E_RNA) where: Base-Base interactions energy: -1011.854 where: short stacking energy: -421.061 Base-Backbone interact. energy: -2.699 local terms energy: -549.668656 where: bonds (distance) C4'-P energy: -117.072 bonds (distance) P-C4' energy: -142.218 flat angles C4'-P-C4' energy: -126.590 flat angles P-C4'-P energy: -81.872 tors. eta vs tors. theta energy: -81.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1323.879058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.879058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.879058 (E_RNA) where: Base-Base interactions energy: -800.265 where: short stacking energy: -370.664 Base-Backbone interact. energy: -2.281 local terms energy: -521.333480 where: bonds (distance) C4'-P energy: -125.269 bonds (distance) P-C4' energy: -127.051 flat angles C4'-P-C4' energy: -127.233 flat angles P-C4'-P energy: -79.257 tors. eta vs tors. theta energy: -62.524 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: 9, replica: 5 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -1130.388785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.388785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.388785 (E_RNA) where: Base-Base interactions energy: -669.277 where: short stacking energy: -324.768 Base-Backbone interact. energy: 5.555 local terms energy: -466.666912 where: bonds (distance) C4'-P energy: -117.640 bonds (distance) P-C4' energy: -125.189 flat angles C4'-P-C4' energy: -106.097 flat angles P-C4'-P energy: -86.315 tors. eta vs tors. theta energy: -31.427 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: 10, replica: 10 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -761.171574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.171574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.171574 (E_RNA) where: Base-Base interactions energy: -351.535 where: short stacking energy: -223.735 Base-Backbone interact. energy: 3.274 local terms energy: -412.910858 where: bonds (distance) C4'-P energy: -111.661 bonds (distance) P-C4' energy: -127.160 flat angles C4'-P-C4' energy: -111.098 flat angles P-C4'-P energy: -64.776 tors. eta vs tors. theta energy: 1.785 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: 3 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -2612.665886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.665886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.665886 (E_RNA) where: Base-Base interactions energy: -1795.411 where: short stacking energy: -770.163 Base-Backbone interact. energy: -3.028 local terms energy: -814.226599 where: bonds (distance) C4'-P energy: -149.334 bonds (distance) P-C4' energy: -145.063 flat angles C4'-P-C4' energy: -164.762 flat angles P-C4'-P energy: -120.063 tors. eta vs tors. theta energy: -235.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2494.972245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.972245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.972245 (E_RNA) where: Base-Base interactions energy: -1691.853 where: short stacking energy: -754.500 Base-Backbone interact. energy: -0.614 local terms energy: -802.505397 where: bonds (distance) C4'-P energy: -150.240 bonds (distance) P-C4' energy: -147.097 flat angles C4'-P-C4' energy: -173.788 flat angles P-C4'-P energy: -109.178 tors. eta vs tors. theta energy: -222.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2410.490898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.490898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.490898 (E_RNA) where: Base-Base interactions energy: -1667.264 where: short stacking energy: -689.703 Base-Backbone interact. energy: 0.446 local terms energy: -743.673155 where: bonds (distance) C4'-P energy: -140.364 bonds (distance) P-C4' energy: -139.604 flat angles C4'-P-C4' energy: -157.419 flat angles P-C4'-P energy: -108.349 tors. eta vs tors. theta energy: -197.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2305.158405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.158405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.158405 (E_RNA) where: Base-Base interactions energy: -1552.200 where: short stacking energy: -702.954 Base-Backbone interact. energy: -4.629 local terms energy: -748.329140 where: bonds (distance) C4'-P energy: -146.064 bonds (distance) P-C4' energy: -143.719 flat angles C4'-P-C4' energy: -161.351 flat angles P-C4'-P energy: -93.674 tors. eta vs tors. theta energy: -203.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2134.967490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.967490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.967490 (E_RNA) where: Base-Base interactions energy: -1447.227 where: short stacking energy: -624.202 Base-Backbone interact. energy: 0.119 local terms energy: -687.859725 where: bonds (distance) C4'-P energy: -124.033 bonds (distance) P-C4' energy: -134.481 flat angles C4'-P-C4' energy: -164.093 flat angles P-C4'-P energy: -93.521 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: 6, replica: 4 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1847.791460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.791460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.791460 (E_RNA) where: Base-Base interactions energy: -1241.916 where: short stacking energy: -530.292 Base-Backbone interact. energy: 0.516 local terms energy: -606.390601 where: bonds (distance) C4'-P energy: -122.816 bonds (distance) P-C4' energy: -137.306 flat angles C4'-P-C4' energy: -141.522 flat angles P-C4'-P energy: -82.493 tors. eta vs tors. theta energy: -122.254 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: 6 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1629.765433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.765433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.765433 (E_RNA) where: Base-Base interactions energy: -1062.196 where: short stacking energy: -488.554 Base-Backbone interact. energy: 3.867 local terms energy: -571.436565 where: bonds (distance) C4'-P energy: -118.150 bonds (distance) P-C4' energy: -139.015 flat angles C4'-P-C4' energy: -141.564 flat angles P-C4'-P energy: -84.134 tors. eta vs tors. theta energy: -88.574 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: 8, replica: 1 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1339.034615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.034615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.034615 (E_RNA) where: Base-Base interactions energy: -826.809 where: short stacking energy: -378.273 Base-Backbone interact. energy: -3.274 local terms energy: -508.951426 where: bonds (distance) C4'-P energy: -127.852 bonds (distance) P-C4' energy: -145.361 flat angles C4'-P-C4' energy: -107.002 flat angles P-C4'-P energy: -79.240 tors. eta vs tors. theta energy: -49.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -1145.240302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.240302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.240302 (E_RNA) where: Base-Base interactions energy: -693.043 where: short stacking energy: -343.106 Base-Backbone interact. energy: 0.858 local terms energy: -453.054905 where: bonds (distance) C4'-P energy: -96.798 bonds (distance) P-C4' energy: -104.495 flat angles C4'-P-C4' energy: -123.051 flat angles P-C4'-P energy: -72.224 tors. eta vs tors. theta energy: -56.488 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: 10, replica: 10 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -702.909130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.909130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.909130 (E_RNA) where: Base-Base interactions energy: -329.924 where: short stacking energy: -177.797 Base-Backbone interact. energy: -3.246 local terms energy: -369.738925 where: bonds (distance) C4'-P energy: -108.075 bonds (distance) P-C4' energy: -128.394 flat angles C4'-P-C4' energy: -98.273 flat angles P-C4'-P energy: -58.610 tors. eta vs tors. theta energy: 23.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -2618.792168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.792168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.792168 (E_RNA) where: Base-Base interactions energy: -1770.489 where: short stacking energy: -762.804 Base-Backbone interact. energy: 0.410 local terms energy: -848.712872 where: bonds (distance) C4'-P energy: -163.616 bonds (distance) P-C4' energy: -146.183 flat angles C4'-P-C4' energy: -181.309 flat angles P-C4'-P energy: -122.835 tors. eta vs tors. theta energy: -234.769 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: 2 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -2501.047898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.047898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.047898 (E_RNA) where: Base-Base interactions energy: -1739.431 where: short stacking energy: -748.390 Base-Backbone interact. energy: -2.236 local terms energy: -759.381454 where: bonds (distance) C4'-P energy: -142.528 bonds (distance) P-C4' energy: -153.903 flat angles C4'-P-C4' energy: -170.861 flat angles P-C4'-P energy: -77.812 tors. eta vs tors. theta energy: -214.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2428.832322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.832322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.832322 (E_RNA) where: Base-Base interactions energy: -1667.815 where: short stacking energy: -715.979 Base-Backbone interact. energy: -1.586 local terms energy: -759.431250 where: bonds (distance) C4'-P energy: -147.063 bonds (distance) P-C4' energy: -145.464 flat angles C4'-P-C4' energy: -163.887 flat angles P-C4'-P energy: -110.939 tors. eta vs tors. theta energy: -192.079 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: 4, replica: 9 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2294.912467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.912467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.912467 (E_RNA) where: Base-Base interactions energy: -1570.518 where: short stacking energy: -643.969 Base-Backbone interact. energy: 1.403 local terms energy: -725.796716 where: bonds (distance) C4'-P energy: -125.942 bonds (distance) P-C4' energy: -147.267 flat angles C4'-P-C4' energy: -158.936 flat angles P-C4'-P energy: -101.729 tors. eta vs tors. theta energy: -191.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2098.845564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.845564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.845564 (E_RNA) where: Base-Base interactions energy: -1391.683 where: short stacking energy: -602.293 Base-Backbone interact. energy: 0.563 local terms energy: -707.725427 where: bonds (distance) C4'-P energy: -136.053 bonds (distance) P-C4' energy: -157.613 flat angles C4'-P-C4' energy: -157.928 flat angles P-C4'-P energy: -90.068 tors. eta vs tors. theta energy: -166.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1882.149435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.149435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.149435 (E_RNA) where: Base-Base interactions energy: -1262.485 where: short stacking energy: -526.192 Base-Backbone interact. energy: -1.098 local terms energy: -618.565812 where: bonds (distance) C4'-P energy: -131.793 bonds (distance) P-C4' energy: -133.555 flat angles C4'-P-C4' energy: -153.310 flat angles P-C4'-P energy: -81.720 tors. eta vs tors. theta energy: -118.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1625.988184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.988184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.988184 (E_RNA) where: Base-Base interactions energy: -1071.066 where: short stacking energy: -463.368 Base-Backbone interact. energy: -2.573 local terms energy: -552.348646 where: bonds (distance) C4'-P energy: -129.308 bonds (distance) P-C4' energy: -137.778 flat angles C4'-P-C4' energy: -120.522 flat angles P-C4'-P energy: -78.483 tors. eta vs tors. theta energy: -86.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1327.002268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.002268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.002268 (E_RNA) where: Base-Base interactions energy: -800.305 where: short stacking energy: -372.923 Base-Backbone interact. energy: 0.600 local terms energy: -527.296864 where: bonds (distance) C4'-P energy: -127.136 bonds (distance) P-C4' energy: -120.097 flat angles C4'-P-C4' energy: -123.289 flat angles P-C4'-P energy: -83.238 tors. eta vs tors. theta energy: -73.537 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: 5 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1173.694226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.694226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.694226 (E_RNA) where: Base-Base interactions energy: -692.174 where: short stacking energy: -343.616 Base-Backbone interact. energy: -1.594 local terms energy: -479.926526 where: bonds (distance) C4'-P energy: -124.333 bonds (distance) P-C4' energy: -136.164 flat angles C4'-P-C4' energy: -108.731 flat angles P-C4'-P energy: -63.638 tors. eta vs tors. theta energy: -47.060 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: 10, replica: 10 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -710.086985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.086985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.086985 (E_RNA) where: Base-Base interactions energy: -320.629 where: short stacking energy: -202.322 Base-Backbone interact. energy: 1.300 local terms energy: -390.757842 where: bonds (distance) C4'-P energy: -128.426 bonds (distance) P-C4' energy: -115.431 flat angles C4'-P-C4' energy: -100.621 flat angles P-C4'-P energy: -62.258 tors. eta vs tors. theta energy: 15.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -2641.715754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.715754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.715754 (E_RNA) where: Base-Base interactions energy: -1818.962 where: short stacking energy: -775.952 Base-Backbone interact. energy: -4.792 local terms energy: -817.961915 where: bonds (distance) C4'-P energy: -140.198 bonds (distance) P-C4' energy: -149.442 flat angles C4'-P-C4' energy: -180.533 flat angles P-C4'-P energy: -111.965 tors. eta vs tors. theta energy: -235.824 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: 2, replica: 2 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2483.190720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.190720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.190720 (E_RNA) where: Base-Base interactions energy: -1684.610 where: short stacking energy: -738.927 Base-Backbone interact. energy: -4.983 local terms energy: -793.597635 where: bonds (distance) C4'-P energy: -143.350 bonds (distance) P-C4' energy: -158.593 flat angles C4'-P-C4' energy: -153.140 flat angles P-C4'-P energy: -121.700 tors. eta vs tors. theta energy: -216.814 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: 3, replica: 7 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2377.127165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.127165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.127165 (E_RNA) where: Base-Base interactions energy: -1648.384 where: short stacking energy: -670.003 Base-Backbone interact. energy: -0.830 local terms energy: -727.912949 where: bonds (distance) C4'-P energy: -132.235 bonds (distance) P-C4' energy: -132.389 flat angles C4'-P-C4' energy: -162.236 flat angles P-C4'-P energy: -110.155 tors. eta vs tors. theta energy: -190.898 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: 9 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2275.276011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.276011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.276011 (E_RNA) where: Base-Base interactions energy: -1565.591 where: short stacking energy: -651.807 Base-Backbone interact. energy: -3.391 local terms energy: -706.293644 where: bonds (distance) C4'-P energy: -110.887 bonds (distance) P-C4' energy: -128.658 flat angles C4'-P-C4' energy: -170.226 flat angles P-C4'-P energy: -97.864 tors. eta vs tors. theta energy: -198.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2137.494911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.494911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.494911 (E_RNA) where: Base-Base interactions energy: -1487.352 where: short stacking energy: -636.753 Base-Backbone interact. energy: -2.138 local terms energy: -648.004717 where: bonds (distance) C4'-P energy: -120.418 bonds (distance) P-C4' energy: -128.017 flat angles C4'-P-C4' energy: -145.660 flat angles P-C4'-P energy: -79.127 tors. eta vs tors. theta energy: -174.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1851.050949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.050949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.050949 (E_RNA) where: Base-Base interactions energy: -1225.768 where: short stacking energy: -549.650 Base-Backbone interact. energy: -0.017 local terms energy: -625.265074 where: bonds (distance) C4'-P energy: -132.067 bonds (distance) P-C4' energy: -149.867 flat angles C4'-P-C4' energy: -135.984 flat angles P-C4'-P energy: -84.978 tors. eta vs tors. theta energy: -122.369 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: 6 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1678.419834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.419834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.419834 (E_RNA) where: Base-Base interactions energy: -1088.966 where: short stacking energy: -488.041 Base-Backbone interact. energy: -3.801 local terms energy: -585.652020 where: bonds (distance) C4'-P energy: -133.020 bonds (distance) P-C4' energy: -109.694 flat angles C4'-P-C4' energy: -142.828 flat angles P-C4'-P energy: -89.714 tors. eta vs tors. theta energy: -110.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1405.650882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.650882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.650882 (E_RNA) where: Base-Base interactions energy: -859.503 where: short stacking energy: -401.350 Base-Backbone interact. energy: 2.116 local terms energy: -548.263762 where: bonds (distance) C4'-P energy: -130.973 bonds (distance) P-C4' energy: -140.067 flat angles C4'-P-C4' energy: -118.861 flat angles P-C4'-P energy: -76.514 tors. eta vs tors. theta energy: -81.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -1221.758732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.758732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.758732 (E_RNA) where: Base-Base interactions energy: -730.709 where: short stacking energy: -366.495 Base-Backbone interact. energy: 1.121 local terms energy: -492.170233 where: bonds (distance) C4'-P energy: -106.708 bonds (distance) P-C4' energy: -109.800 flat angles C4'-P-C4' energy: -114.535 flat angles P-C4'-P energy: -84.404 tors. eta vs tors. theta energy: -76.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -707.774312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.774312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.774312 (E_RNA) where: Base-Base interactions energy: -300.851 where: short stacking energy: -184.409 Base-Backbone interact. energy: 3.300 local terms energy: -410.223567 where: bonds (distance) C4'-P energy: -108.303 bonds (distance) P-C4' energy: -133.510 flat angles C4'-P-C4' energy: -111.681 flat angles P-C4'-P energy: -65.699 tors. eta vs tors. theta energy: 8.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -2645.079284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.079284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.079284 (E_RNA) where: Base-Base interactions energy: -1831.195 where: short stacking energy: -819.887 Base-Backbone interact. energy: -3.439 local terms energy: -810.445004 where: bonds (distance) C4'-P energy: -137.877 bonds (distance) P-C4' energy: -138.998 flat angles C4'-P-C4' energy: -179.349 flat angles P-C4'-P energy: -108.701 tors. eta vs tors. theta energy: -245.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2467.844420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.844420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.844420 (E_RNA) where: Base-Base interactions energy: -1716.676 where: short stacking energy: -740.145 Base-Backbone interact. energy: -3.834 local terms energy: -747.334155 where: bonds (distance) C4'-P energy: -135.068 bonds (distance) P-C4' energy: -140.465 flat angles C4'-P-C4' energy: -167.298 flat angles P-C4'-P energy: -101.115 tors. eta vs tors. theta energy: -203.388 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: 3, replica: 7 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2388.243085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.243085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.243085 (E_RNA) where: Base-Base interactions energy: -1657.058 where: short stacking energy: -670.972 Base-Backbone interact. energy: 0.201 local terms energy: -731.385767 where: bonds (distance) C4'-P energy: -141.079 bonds (distance) P-C4' energy: -144.183 flat angles C4'-P-C4' energy: -165.487 flat angles P-C4'-P energy: -95.834 tors. eta vs tors. theta energy: -184.802 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: 9 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2271.660356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.660356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.660356 (E_RNA) where: Base-Base interactions energy: -1563.029 where: short stacking energy: -664.227 Base-Backbone interact. energy: 3.391 local terms energy: -712.021834 where: bonds (distance) C4'-P energy: -139.135 bonds (distance) P-C4' energy: -140.229 flat angles C4'-P-C4' energy: -145.421 flat angles P-C4'-P energy: -91.600 tors. eta vs tors. theta energy: -195.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -2129.909045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.909045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.909045 (E_RNA) where: Base-Base interactions energy: -1452.772 where: short stacking energy: -618.954 Base-Backbone interact. energy: 5.936 local terms energy: -683.072737 where: bonds (distance) C4'-P energy: -152.436 bonds (distance) P-C4' energy: -131.299 flat angles C4'-P-C4' energy: -156.359 flat angles P-C4'-P energy: -78.716 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: 6, replica: 4 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1862.302549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.302549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.302549 (E_RNA) where: Base-Base interactions energy: -1241.731 where: short stacking energy: -549.551 Base-Backbone interact. energy: -1.415 local terms energy: -619.156159 where: bonds (distance) C4'-P energy: -128.393 bonds (distance) P-C4' energy: -126.784 flat angles C4'-P-C4' energy: -136.671 flat angles P-C4'-P energy: -91.555 tors. eta vs tors. theta energy: -135.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1632.599423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.599423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.599423 (E_RNA) where: Base-Base interactions energy: -1046.748 where: short stacking energy: -469.907 Base-Backbone interact. energy: -2.447 local terms energy: -583.404707 where: bonds (distance) C4'-P energy: -115.755 bonds (distance) P-C4' energy: -140.311 flat angles C4'-P-C4' energy: -146.137 flat angles P-C4'-P energy: -88.416 tors. eta vs tors. theta energy: -92.786 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: 1 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1424.169937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.169937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.169937 (E_RNA) where: Base-Base interactions energy: -900.234 where: short stacking energy: -400.032 Base-Backbone interact. energy: -0.552 local terms energy: -523.383576 where: bonds (distance) C4'-P energy: -114.552 bonds (distance) P-C4' energy: -125.197 flat angles C4'-P-C4' energy: -127.667 flat angles P-C4'-P energy: -84.293 tors. eta vs tors. theta energy: -71.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1226.583821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.583821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.583821 (E_RNA) where: Base-Base interactions energy: -708.382 where: short stacking energy: -353.609 Base-Backbone interact. energy: 5.172 local terms energy: -523.373752 where: bonds (distance) C4'-P energy: -134.517 bonds (distance) P-C4' energy: -140.263 flat angles C4'-P-C4' energy: -128.709 flat angles P-C4'-P energy: -63.100 tors. eta vs tors. theta energy: -56.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -772.351899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.351899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.351899 (E_RNA) where: Base-Base interactions energy: -366.488 where: short stacking energy: -237.276 Base-Backbone interact. energy: 0.142 local terms energy: -406.005851 where: bonds (distance) C4'-P energy: -121.672 bonds (distance) P-C4' energy: -120.660 flat angles C4'-P-C4' energy: -107.950 flat angles P-C4'-P energy: -56.457 tors. eta vs tors. theta energy: 0.734 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: 3 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -2652.216774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.216774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.216774 (E_RNA) where: Base-Base interactions energy: -1822.653 where: short stacking energy: -782.249 Base-Backbone interact. energy: -5.507 local terms energy: -824.057311 where: bonds (distance) C4'-P energy: -138.318 bonds (distance) P-C4' energy: -160.516 flat angles C4'-P-C4' energy: -180.520 flat angles P-C4'-P energy: -101.502 tors. eta vs tors. theta energy: -243.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2477.034271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.034271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.034271 (E_RNA) where: Base-Base interactions energy: -1710.279 where: short stacking energy: -752.812 Base-Backbone interact. energy: -3.445 local terms energy: -763.310836 where: bonds (distance) C4'-P energy: -148.992 bonds (distance) P-C4' energy: -141.615 flat angles C4'-P-C4' energy: -164.314 flat angles P-C4'-P energy: -92.096 tors. eta vs tors. theta energy: -216.293 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: 7 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2392.150831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.150831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.150831 (E_RNA) where: Base-Base interactions energy: -1639.328 where: short stacking energy: -695.533 Base-Backbone interact. energy: -2.160 local terms energy: -750.662410 where: bonds (distance) C4'-P energy: -137.524 bonds (distance) P-C4' energy: -149.965 flat angles C4'-P-C4' energy: -152.440 flat angles P-C4'-P energy: -109.955 tors. eta vs tors. theta energy: -200.778 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: 9 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2291.223309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.223309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.223309 (E_RNA) where: Base-Base interactions energy: -1577.620 where: short stacking energy: -677.154 Base-Backbone interact. energy: -0.734 local terms energy: -712.868861 where: bonds (distance) C4'-P energy: -125.613 bonds (distance) P-C4' energy: -145.690 flat angles C4'-P-C4' energy: -158.528 flat angles P-C4'-P energy: -96.532 tors. eta vs tors. theta energy: -186.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2131.808259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.808259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.808259 (E_RNA) where: Base-Base interactions energy: -1492.565 where: short stacking energy: -647.182 Base-Backbone interact. energy: 5.179 local terms energy: -644.421945 where: bonds (distance) C4'-P energy: -134.081 bonds (distance) P-C4' energy: -125.413 flat angles C4'-P-C4' energy: -135.710 flat angles P-C4'-P energy: -86.611 tors. eta vs tors. theta energy: -162.607 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: 4 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1890.670476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.670476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.670476 (E_RNA) where: Base-Base interactions energy: -1266.995 where: short stacking energy: -546.149 Base-Backbone interact. energy: 0.367 local terms energy: -624.042380 where: bonds (distance) C4'-P energy: -135.129 bonds (distance) P-C4' energy: -146.638 flat angles C4'-P-C4' energy: -135.332 flat angles P-C4'-P energy: -86.458 tors. eta vs tors. theta energy: -120.486 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: 7, replica: 6 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1650.997147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.997147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.997147 (E_RNA) where: Base-Base interactions energy: -1082.079 where: short stacking energy: -471.146 Base-Backbone interact. energy: 2.638 local terms energy: -571.556152 where: bonds (distance) C4'-P energy: -117.871 bonds (distance) P-C4' energy: -131.451 flat angles C4'-P-C4' energy: -151.651 flat angles P-C4'-P energy: -61.817 tors. eta vs tors. theta energy: -108.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1452.322219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.322219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.322219 (E_RNA) where: Base-Base interactions energy: -939.880 where: short stacking energy: -420.063 Base-Backbone interact. energy: -1.276 local terms energy: -511.165807 where: bonds (distance) C4'-P energy: -118.963 bonds (distance) P-C4' energy: -109.086 flat angles C4'-P-C4' energy: -126.330 flat angles P-C4'-P energy: -86.337 tors. eta vs tors. theta energy: -70.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1178.918787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.918787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.918787 (E_RNA) where: Base-Base interactions energy: -680.871 where: short stacking energy: -330.241 Base-Backbone interact. energy: -0.437 local terms energy: -497.610448 where: bonds (distance) C4'-P energy: -98.452 bonds (distance) P-C4' energy: -139.446 flat angles C4'-P-C4' energy: -125.657 flat angles P-C4'-P energy: -88.683 tors. eta vs tors. theta energy: -45.372 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: 10, replica: 10 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -719.909954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.909954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.909954 (E_RNA) where: Base-Base interactions energy: -346.186 where: short stacking energy: -199.591 Base-Backbone interact. energy: -0.810 local terms energy: -373.385050 where: bonds (distance) C4'-P energy: -109.894 bonds (distance) P-C4' energy: -113.363 flat angles C4'-P-C4' energy: -99.278 flat angles P-C4'-P energy: -56.298 tors. eta vs tors. theta energy: 5.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.471 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -2660.927134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.927134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.927134 (E_RNA) where: Base-Base interactions energy: -1816.327 where: short stacking energy: -803.608 Base-Backbone interact. energy: 2.061 local terms energy: -846.660795 where: bonds (distance) C4'-P energy: -157.497 bonds (distance) P-C4' energy: -148.347 flat angles C4'-P-C4' energy: -176.760 flat angles P-C4'-P energy: -112.376 tors. eta vs tors. theta energy: -251.680 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: 2 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2436.956872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.956872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.956872 (E_RNA) where: Base-Base interactions energy: -1689.783 where: short stacking energy: -733.050 Base-Backbone interact. energy: -2.319 local terms energy: -744.854778 where: bonds (distance) C4'-P energy: -138.956 bonds (distance) P-C4' energy: -137.084 flat angles C4'-P-C4' energy: -160.382 flat angles P-C4'-P energy: -104.807 tors. eta vs tors. theta energy: -203.626 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: 413 Temperature: 1.000000 Total energy: -2404.112484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.112484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.112484 (E_RNA) where: Base-Base interactions energy: -1664.607 where: short stacking energy: -731.122 Base-Backbone interact. energy: 0.329 local terms energy: -739.834437 where: bonds (distance) C4'-P energy: -139.327 bonds (distance) P-C4' energy: -143.540 flat angles C4'-P-C4' energy: -156.897 flat angles P-C4'-P energy: -90.096 tors. eta vs tors. theta energy: -209.974 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: 9 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2240.231054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.231054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.231054 (E_RNA) where: Base-Base interactions energy: -1534.003 where: short stacking energy: -667.331 Base-Backbone interact. energy: 0.372 local terms energy: -706.600910 where: bonds (distance) C4'-P energy: -138.708 bonds (distance) P-C4' energy: -127.145 flat angles C4'-P-C4' energy: -149.627 flat angles P-C4'-P energy: -97.241 tors. eta vs tors. theta energy: -193.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2121.711933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.711933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.711933 (E_RNA) where: Base-Base interactions energy: -1470.532 where: short stacking energy: -632.956 Base-Backbone interact. energy: -3.337 local terms energy: -647.843722 where: bonds (distance) C4'-P energy: -121.491 bonds (distance) P-C4' energy: -123.708 flat angles C4'-P-C4' energy: -141.258 flat angles P-C4'-P energy: -106.187 tors. eta vs tors. theta energy: -155.200 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: 4 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1871.372331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.372331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.372331 (E_RNA) where: Base-Base interactions energy: -1258.101 where: short stacking energy: -552.736 Base-Backbone interact. energy: -1.828 local terms energy: -611.443419 where: bonds (distance) C4'-P energy: -126.447 bonds (distance) P-C4' energy: -117.766 flat angles C4'-P-C4' energy: -139.194 flat angles P-C4'-P energy: -83.502 tors. eta vs tors. theta energy: -144.534 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: 413 Temperature: 1.200000 Total energy: -1589.078310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.078310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.078310 (E_RNA) where: Base-Base interactions energy: -1056.754 where: short stacking energy: -487.822 Base-Backbone interact. energy: -0.511 local terms energy: -531.813107 where: bonds (distance) C4'-P energy: -111.339 bonds (distance) P-C4' energy: -115.856 flat angles C4'-P-C4' energy: -126.890 flat angles P-C4'-P energy: -81.576 tors. eta vs tors. theta energy: -96.151 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: 1 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1543.235816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.235816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.235816 (E_RNA) where: Base-Base interactions energy: -994.470 where: short stacking energy: -443.873 Base-Backbone interact. energy: -1.257 local terms energy: -547.509156 where: bonds (distance) C4'-P energy: -127.901 bonds (distance) P-C4' energy: -97.702 flat angles C4'-P-C4' energy: -139.439 flat angles P-C4'-P energy: -75.715 tors. eta vs tors. theta energy: -106.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1231.510544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.510544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.510544 (E_RNA) where: Base-Base interactions energy: -732.713 where: short stacking energy: -368.545 Base-Backbone interact. energy: -1.660 local terms energy: -497.137373 where: bonds (distance) C4'-P energy: -108.227 bonds (distance) P-C4' energy: -122.460 flat angles C4'-P-C4' energy: -127.110 flat angles P-C4'-P energy: -76.731 tors. eta vs tors. theta energy: -62.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -686.586030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.586030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.586030 (E_RNA) where: Base-Base interactions energy: -290.096 where: short stacking energy: -177.758 Base-Backbone interact. energy: -3.784 local terms energy: -392.705480 where: bonds (distance) C4'-P energy: -131.787 bonds (distance) P-C4' energy: -128.947 flat angles C4'-P-C4' energy: -113.664 flat angles P-C4'-P energy: -34.651 tors. eta vs tors. theta energy: 16.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -2638.367235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.367235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.367235 (E_RNA) where: Base-Base interactions energy: -1796.442 where: short stacking energy: -769.300 Base-Backbone interact. energy: -3.442 local terms energy: -838.482582 where: bonds (distance) C4'-P energy: -150.233 bonds (distance) P-C4' energy: -163.929 flat angles C4'-P-C4' energy: -163.342 flat angles P-C4'-P energy: -117.505 tors. eta vs tors. theta energy: -243.475 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: 414 Temperature: 0.950000 Total energy: -2466.845442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.845442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.845442 (E_RNA) where: Base-Base interactions energy: -1682.666 where: short stacking energy: -712.391 Base-Backbone interact. energy: -2.722 local terms energy: -781.457441 where: bonds (distance) C4'-P energy: -146.534 bonds (distance) P-C4' energy: -155.544 flat angles C4'-P-C4' energy: -162.447 flat angles P-C4'-P energy: -105.329 tors. eta vs tors. theta energy: -211.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2408.205153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.205153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.205153 (E_RNA) where: Base-Base interactions energy: -1673.051 where: short stacking energy: -725.758 Base-Backbone interact. energy: -3.476 local terms energy: -731.678490 where: bonds (distance) C4'-P energy: -137.515 bonds (distance) P-C4' energy: -123.185 flat angles C4'-P-C4' energy: -156.221 flat angles P-C4'-P energy: -109.681 tors. eta vs tors. theta energy: -205.076 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: 9 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2239.632685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.632685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.632685 (E_RNA) where: Base-Base interactions energy: -1517.462 where: short stacking energy: -667.985 Base-Backbone interact. energy: 1.963 local terms energy: -724.133361 where: bonds (distance) C4'-P energy: -128.534 bonds (distance) P-C4' energy: -141.506 flat angles C4'-P-C4' energy: -161.139 flat angles P-C4'-P energy: -102.130 tors. eta vs tors. theta energy: -190.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2085.827607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.827607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.827607 (E_RNA) where: Base-Base interactions energy: -1428.961 where: short stacking energy: -607.720 Base-Backbone interact. energy: 1.770 local terms energy: -658.636611 where: bonds (distance) C4'-P energy: -113.142 bonds (distance) P-C4' energy: -129.695 flat angles C4'-P-C4' energy: -147.847 flat angles P-C4'-P energy: -96.051 tors. eta vs tors. theta energy: -171.901 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: 4 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1862.475643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.475643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.475643 (E_RNA) where: Base-Base interactions energy: -1266.609 where: short stacking energy: -539.564 Base-Backbone interact. energy: -0.408 local terms energy: -595.458931 where: bonds (distance) C4'-P energy: -106.149 bonds (distance) P-C4' energy: -115.963 flat angles C4'-P-C4' energy: -139.405 flat angles P-C4'-P energy: -97.998 tors. eta vs tors. theta energy: -135.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1643.851966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.851966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.851966 (E_RNA) where: Base-Base interactions energy: -1059.853 where: short stacking energy: -478.327 Base-Backbone interact. energy: 2.304 local terms energy: -586.302467 where: bonds (distance) C4'-P energy: -119.442 bonds (distance) P-C4' energy: -137.395 flat angles C4'-P-C4' energy: -128.171 flat angles P-C4'-P energy: -93.272 tors. eta vs tors. theta energy: -108.022 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: 1 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1557.286423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.286423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.286423 (E_RNA) where: Base-Base interactions energy: -1001.363 where: short stacking energy: -449.530 Base-Backbone interact. energy: 1.221 local terms energy: -557.144775 where: bonds (distance) C4'-P energy: -122.652 bonds (distance) P-C4' energy: -115.431 flat angles C4'-P-C4' energy: -144.474 flat angles P-C4'-P energy: -82.797 tors. eta vs tors. theta energy: -91.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1204.207845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.207845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.207845 (E_RNA) where: Base-Base interactions energy: -736.059 where: short stacking energy: -362.425 Base-Backbone interact. energy: -0.153 local terms energy: -467.995384 where: bonds (distance) C4'-P energy: -97.073 bonds (distance) P-C4' energy: -135.837 flat angles C4'-P-C4' energy: -121.763 flat angles P-C4'-P energy: -66.466 tors. eta vs tors. theta energy: -46.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -678.340791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.340791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.340791 (E_RNA) where: Base-Base interactions energy: -272.630 where: short stacking energy: -171.980 Base-Backbone interact. energy: 0.925 local terms energy: -406.635506 where: bonds (distance) C4'-P energy: -121.250 bonds (distance) P-C4' energy: -118.584 flat angles C4'-P-C4' energy: -108.307 flat angles P-C4'-P energy: -73.658 tors. eta vs tors. theta energy: 15.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -2672.057416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.057416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.057416 (E_RNA) where: Base-Base interactions energy: -1836.563 where: short stacking energy: -802.387 Base-Backbone interact. energy: -2.343 local terms energy: -833.151182 where: bonds (distance) C4'-P energy: -154.254 bonds (distance) P-C4' energy: -146.724 flat angles C4'-P-C4' energy: -168.434 flat angles P-C4'-P energy: -117.593 tors. eta vs tors. theta energy: -246.147 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: 2, replica: 2 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2459.794901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.794901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.794901 (E_RNA) where: Base-Base interactions energy: -1700.955 where: short stacking energy: -718.773 Base-Backbone interact. energy: -2.305 local terms energy: -756.534764 where: bonds (distance) C4'-P energy: -130.075 bonds (distance) P-C4' energy: -153.845 flat angles C4'-P-C4' energy: -167.708 flat angles P-C4'-P energy: -100.653 tors. eta vs tors. theta energy: -204.254 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: 7 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2446.073418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.073418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.073418 (E_RNA) where: Base-Base interactions energy: -1690.533 where: short stacking energy: -738.180 Base-Backbone interact. energy: -3.492 local terms energy: -752.048026 where: bonds (distance) C4'-P energy: -136.096 bonds (distance) P-C4' energy: -157.805 flat angles C4'-P-C4' energy: -156.408 flat angles P-C4'-P energy: -90.561 tors. eta vs tors. theta energy: -211.179 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: 9 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2288.204437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.204437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.204437 (E_RNA) where: Base-Base interactions energy: -1588.702 where: short stacking energy: -677.051 Base-Backbone interact. energy: -4.114 local terms energy: -695.388021 where: bonds (distance) C4'-P energy: -122.165 bonds (distance) P-C4' energy: -134.814 flat angles C4'-P-C4' energy: -150.777 flat angles P-C4'-P energy: -99.937 tors. eta vs tors. theta energy: -187.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -2099.894036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.894036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.894036 (E_RNA) where: Base-Base interactions energy: -1433.316 where: short stacking energy: -612.596 Base-Backbone interact. energy: -1.593 local terms energy: -664.984933 where: bonds (distance) C4'-P energy: -121.165 bonds (distance) P-C4' energy: -122.765 flat angles C4'-P-C4' energy: -153.831 flat angles P-C4'-P energy: -89.012 tors. eta vs tors. theta energy: -178.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1836.453865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.453865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.453865 (E_RNA) where: Base-Base interactions energy: -1210.200 where: short stacking energy: -540.367 Base-Backbone interact. energy: 0.380 local terms energy: -626.634338 where: bonds (distance) C4'-P energy: -115.284 bonds (distance) P-C4' energy: -144.115 flat angles C4'-P-C4' energy: -141.800 flat angles P-C4'-P energy: -91.084 tors. eta vs tors. theta energy: -134.351 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: 7, replica: 6 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1601.471540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.471540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.471540 (E_RNA) where: Base-Base interactions energy: -1016.788 where: short stacking energy: -464.569 Base-Backbone interact. energy: -0.358 local terms energy: -584.325327 where: bonds (distance) C4'-P energy: -134.545 bonds (distance) P-C4' energy: -131.462 flat angles C4'-P-C4' energy: -143.423 flat angles P-C4'-P energy: -83.711 tors. eta vs tors. theta energy: -91.184 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: 415 Temperature: 1.250000 Total energy: -1551.605219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.605219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.605219 (E_RNA) where: Base-Base interactions energy: -1021.500 where: short stacking energy: -461.553 Base-Backbone interact. energy: 0.774 local terms energy: -530.878841 where: bonds (distance) C4'-P energy: -103.795 bonds (distance) P-C4' energy: -111.867 flat angles C4'-P-C4' energy: -120.956 flat angles P-C4'-P energy: -89.608 tors. eta vs tors. theta energy: -104.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -1201.252363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.252363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.252363 (E_RNA) where: Base-Base interactions energy: -734.402 where: short stacking energy: -338.868 Base-Backbone interact. energy: -1.296 local terms energy: -465.554378 where: bonds (distance) C4'-P energy: -115.379 bonds (distance) P-C4' energy: -124.924 flat angles C4'-P-C4' energy: -115.386 flat angles P-C4'-P energy: -75.783 tors. eta vs tors. theta energy: -34.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -650.615216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.615216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.615216 (E_RNA) where: Base-Base interactions energy: -268.804 where: short stacking energy: -202.219 Base-Backbone interact. energy: -0.871 local terms energy: -380.940229 where: bonds (distance) C4'-P energy: -106.509 bonds (distance) P-C4' energy: -137.177 flat angles C4'-P-C4' energy: -96.097 flat angles P-C4'-P energy: -61.597 tors. eta vs tors. theta energy: 20.440 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: 3 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -2639.842501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.842501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.842501 (E_RNA) where: Base-Base interactions energy: -1817.929 where: short stacking energy: -803.841 Base-Backbone interact. energy: -0.899 local terms energy: -821.014190 where: bonds (distance) C4'-P energy: -141.498 bonds (distance) P-C4' energy: -142.693 flat angles C4'-P-C4' energy: -178.464 flat angles P-C4'-P energy: -108.540 tors. eta vs tors. theta energy: -249.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2489.678987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.678987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.678987 (E_RNA) where: Base-Base interactions energy: -1720.986 where: short stacking energy: -711.178 Base-Backbone interact. energy: -2.349 local terms energy: -766.344404 where: bonds (distance) C4'-P energy: -147.325 bonds (distance) P-C4' energy: -132.911 flat angles C4'-P-C4' energy: -164.116 flat angles P-C4'-P energy: -115.795 tors. eta vs tors. theta energy: -206.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2446.206358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.206358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.206358 (E_RNA) where: Base-Base interactions energy: -1677.507 where: short stacking energy: -715.675 Base-Backbone interact. energy: -1.578 local terms energy: -767.121229 where: bonds (distance) C4'-P energy: -135.757 bonds (distance) P-C4' energy: -148.125 flat angles C4'-P-C4' energy: -158.317 flat angles P-C4'-P energy: -103.708 tors. eta vs tors. theta energy: -221.215 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: 416 Temperature: 1.050000 Total energy: -2315.085986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.085986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.085986 (E_RNA) where: Base-Base interactions energy: -1608.212 where: short stacking energy: -708.936 Base-Backbone interact. energy: -3.312 local terms energy: -703.561347 where: bonds (distance) C4'-P energy: -118.253 bonds (distance) P-C4' energy: -138.887 flat angles C4'-P-C4' energy: -150.039 flat angles P-C4'-P energy: -91.673 tors. eta vs tors. theta energy: -204.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2161.651417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.651417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.651417 (E_RNA) where: Base-Base interactions energy: -1492.911 where: short stacking energy: -630.855 Base-Backbone interact. energy: -2.185 local terms energy: -666.554972 where: bonds (distance) C4'-P energy: -122.024 bonds (distance) P-C4' energy: -127.085 flat angles C4'-P-C4' energy: -160.520 flat angles P-C4'-P energy: -89.546 tors. eta vs tors. theta energy: -167.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1843.151750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.151750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.151750 (E_RNA) where: Base-Base interactions energy: -1213.086 where: short stacking energy: -544.884 Base-Backbone interact. energy: -1.620 local terms energy: -628.445808 where: bonds (distance) C4'-P energy: -133.352 bonds (distance) P-C4' energy: -149.956 flat angles C4'-P-C4' energy: -129.859 flat angles P-C4'-P energy: -92.212 tors. eta vs tors. theta energy: -123.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1659.674208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.674208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.674208 (E_RNA) where: Base-Base interactions energy: -1085.340 where: short stacking energy: -485.718 Base-Backbone interact. energy: -2.208 local terms energy: -572.125745 where: bonds (distance) C4'-P energy: -119.902 bonds (distance) P-C4' energy: -130.421 flat angles C4'-P-C4' energy: -124.678 flat angles P-C4'-P energy: -89.190 tors. eta vs tors. theta energy: -107.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1465.865476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.865476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.865476 (E_RNA) where: Base-Base interactions energy: -962.930 where: short stacking energy: -435.764 Base-Backbone interact. energy: -3.568 local terms energy: -499.366876 where: bonds (distance) C4'-P energy: -112.247 bonds (distance) P-C4' energy: -128.338 flat angles C4'-P-C4' energy: -119.832 flat angles P-C4'-P energy: -63.951 tors. eta vs tors. theta energy: -75.000 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: 5 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -1156.014810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.014810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.014810 (E_RNA) where: Base-Base interactions energy: -689.496 where: short stacking energy: -339.411 Base-Backbone interact. energy: 4.864 local terms energy: -471.383134 where: bonds (distance) C4'-P energy: -124.745 bonds (distance) P-C4' energy: -131.734 flat angles C4'-P-C4' energy: -109.139 flat angles P-C4'-P energy: -64.361 tors. eta vs tors. theta energy: -41.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -679.549261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.549261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.549261 (E_RNA) where: Base-Base interactions energy: -292.241 where: short stacking energy: -182.976 Base-Backbone interact. energy: 9.091 local terms energy: -396.398619 where: bonds (distance) C4'-P energy: -121.476 bonds (distance) P-C4' energy: -130.558 flat angles C4'-P-C4' energy: -95.718 flat angles P-C4'-P energy: -67.206 tors. eta vs tors. theta energy: 18.560 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: 3 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -2693.553016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.553016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.553016 (E_RNA) where: Base-Base interactions energy: -1843.758 where: short stacking energy: -823.617 Base-Backbone interact. energy: -1.166 local terms energy: -848.628732 where: bonds (distance) C4'-P energy: -157.297 bonds (distance) P-C4' energy: -162.068 flat angles C4'-P-C4' energy: -162.455 flat angles P-C4'-P energy: -120.633 tors. eta vs tors. theta energy: -246.176 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: 7 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2496.888089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.888089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.888089 (E_RNA) where: Base-Base interactions energy: -1703.942 where: short stacking energy: -723.402 Base-Backbone interact. energy: -1.483 local terms energy: -791.462772 where: bonds (distance) C4'-P energy: -138.019 bonds (distance) P-C4' energy: -156.536 flat angles C4'-P-C4' energy: -167.640 flat angles P-C4'-P energy: -119.904 tors. eta vs tors. theta energy: -209.364 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: 2 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2383.054077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.054077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.054077 (E_RNA) where: Base-Base interactions energy: -1633.401 where: short stacking energy: -704.182 Base-Backbone interact. energy: -0.103 local terms energy: -749.550139 where: bonds (distance) C4'-P energy: -125.729 bonds (distance) P-C4' energy: -143.623 flat angles C4'-P-C4' energy: -171.020 flat angles P-C4'-P energy: -102.246 tors. eta vs tors. theta energy: -206.932 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: 4, replica: 9 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2367.604160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.604160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.604160 (E_RNA) where: Base-Base interactions energy: -1620.198 where: short stacking energy: -708.416 Base-Backbone interact. energy: 0.848 local terms energy: -748.437634 where: bonds (distance) C4'-P energy: -149.942 bonds (distance) P-C4' energy: -146.123 flat angles C4'-P-C4' energy: -159.164 flat angles P-C4'-P energy: -90.135 tors. eta vs tors. theta energy: -203.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.183 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2182.520673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.520673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.520673 (E_RNA) where: Base-Base interactions energy: -1491.883 where: short stacking energy: -625.288 Base-Backbone interact. energy: 0.946 local terms energy: -691.583778 where: bonds (distance) C4'-P energy: -142.370 bonds (distance) P-C4' energy: -129.822 flat angles C4'-P-C4' energy: -157.515 flat angles P-C4'-P energy: -101.660 tors. eta vs tors. theta energy: -160.217 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: 6, replica: 4 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1893.888028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.888028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.888028 (E_RNA) where: Base-Base interactions energy: -1281.642 where: short stacking energy: -563.131 Base-Backbone interact. energy: -2.971 local terms energy: -609.274660 where: bonds (distance) C4'-P energy: -135.942 bonds (distance) P-C4' energy: -139.553 flat angles C4'-P-C4' energy: -133.050 flat angles P-C4'-P energy: -60.721 tors. eta vs tors. theta energy: -140.009 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: 1 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1695.393321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.393321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.393321 (E_RNA) where: Base-Base interactions energy: -1146.830 where: short stacking energy: -471.186 Base-Backbone interact. energy: -2.507 local terms energy: -546.056129 where: bonds (distance) C4'-P energy: -113.505 bonds (distance) P-C4' energy: -128.728 flat angles C4'-P-C4' energy: -122.508 flat angles P-C4'-P energy: -84.807 tors. eta vs tors. theta energy: -96.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1498.688647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.688647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.688647 (E_RNA) where: Base-Base interactions energy: -988.543 where: short stacking energy: -434.414 Base-Backbone interact. energy: -1.312 local terms energy: -508.834244 where: bonds (distance) C4'-P energy: -96.987 bonds (distance) P-C4' energy: -121.705 flat angles C4'-P-C4' energy: -122.575 flat angles P-C4'-P energy: -80.736 tors. eta vs tors. theta energy: -86.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -1185.631036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.631036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.631036 (E_RNA) where: Base-Base interactions energy: -712.305 where: short stacking energy: -331.736 Base-Backbone interact. energy: 1.272 local terms energy: -474.597811 where: bonds (distance) C4'-P energy: -123.493 bonds (distance) P-C4' energy: -119.208 flat angles C4'-P-C4' energy: -115.537 flat angles P-C4'-P energy: -64.724 tors. eta vs tors. theta energy: -51.637 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: 10, replica: 10 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -749.594322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.594322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.594322 (E_RNA) where: Base-Base interactions energy: -363.663 where: short stacking energy: -217.249 Base-Backbone interact. energy: 5.843 local terms energy: -391.773790 where: bonds (distance) C4'-P energy: -137.226 bonds (distance) P-C4' energy: -117.843 flat angles C4'-P-C4' energy: -118.013 flat angles P-C4'-P energy: -36.208 tors. eta vs tors. theta energy: 17.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -2624.961600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.961600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.961600 (E_RNA) where: Base-Base interactions energy: -1815.397 where: short stacking energy: -791.775 Base-Backbone interact. energy: 0.658 local terms energy: -810.221880 where: bonds (distance) C4'-P energy: -141.713 bonds (distance) P-C4' energy: -143.916 flat angles C4'-P-C4' energy: -177.829 flat angles P-C4'-P energy: -113.019 tors. eta vs tors. theta energy: -233.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2479.318286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.318286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.318286 (E_RNA) where: Base-Base interactions energy: -1703.210 where: short stacking energy: -729.045 Base-Backbone interact. energy: -4.823 local terms energy: -771.284780 where: bonds (distance) C4'-P energy: -132.769 bonds (distance) P-C4' energy: -165.286 flat angles C4'-P-C4' energy: -162.032 flat angles P-C4'-P energy: -103.513 tors. eta vs tors. theta energy: -207.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2411.681999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.681999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.681999 (E_RNA) where: Base-Base interactions energy: -1649.872 where: short stacking energy: -716.280 Base-Backbone interact. energy: -0.966 local terms energy: -760.844267 where: bonds (distance) C4'-P energy: -143.082 bonds (distance) P-C4' energy: -150.657 flat angles C4'-P-C4' energy: -153.264 flat angles P-C4'-P energy: -107.406 tors. eta vs tors. theta energy: -206.436 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: 4, replica: 9 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2293.958585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.958585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.958585 (E_RNA) where: Base-Base interactions energy: -1562.225 where: short stacking energy: -670.963 Base-Backbone interact. energy: 0.614 local terms energy: -732.347829 where: bonds (distance) C4'-P energy: -135.630 bonds (distance) P-C4' energy: -127.819 flat angles C4'-P-C4' energy: -160.843 flat angles P-C4'-P energy: -103.502 tors. eta vs tors. theta energy: -204.554 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: 8 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2206.695161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.695161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.695161 (E_RNA) where: Base-Base interactions energy: -1518.974 where: short stacking energy: -647.555 Base-Backbone interact. energy: -2.197 local terms energy: -685.524385 where: bonds (distance) C4'-P energy: -138.893 bonds (distance) P-C4' energy: -131.525 flat angles C4'-P-C4' energy: -139.421 flat angles P-C4'-P energy: -91.886 tors. eta vs tors. theta energy: -183.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1879.741694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.741694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.741694 (E_RNA) where: Base-Base interactions energy: -1263.337 where: short stacking energy: -555.413 Base-Backbone interact. energy: 6.027 local terms energy: -622.432241 where: bonds (distance) C4'-P energy: -121.163 bonds (distance) P-C4' energy: -145.064 flat angles C4'-P-C4' energy: -122.812 flat angles P-C4'-P energy: -93.177 tors. eta vs tors. theta energy: -140.216 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: 1 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1795.447503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.447503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.447503 (E_RNA) where: Base-Base interactions energy: -1185.856 where: short stacking energy: -550.187 Base-Backbone interact. energy: -2.775 local terms energy: -606.816217 where: bonds (distance) C4'-P energy: -140.013 bonds (distance) P-C4' energy: -112.771 flat angles C4'-P-C4' energy: -149.469 flat angles P-C4'-P energy: -80.666 tors. eta vs tors. theta energy: -123.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1376.917269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.917269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.917269 (E_RNA) where: Base-Base interactions energy: -875.300 where: short stacking energy: -398.092 Base-Backbone interact. energy: 3.183 local terms energy: -504.800251 where: bonds (distance) C4'-P energy: -96.071 bonds (distance) P-C4' energy: -138.508 flat angles C4'-P-C4' energy: -115.453 flat angles P-C4'-P energy: -76.738 tors. eta vs tors. theta energy: -78.031 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: 5 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -1243.198734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.198734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.198734 (E_RNA) where: Base-Base interactions energy: -732.555 where: short stacking energy: -346.655 Base-Backbone interact. energy: -0.629 local terms energy: -510.015391 where: bonds (distance) C4'-P energy: -128.148 bonds (distance) P-C4' energy: -122.083 flat angles C4'-P-C4' energy: -123.147 flat angles P-C4'-P energy: -84.397 tors. eta vs tors. theta energy: -52.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -790.497371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.497371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.497371 (E_RNA) where: Base-Base interactions energy: -395.913 where: short stacking energy: -209.492 Base-Backbone interact. energy: -0.940 local terms energy: -393.644158 where: bonds (distance) C4'-P energy: -101.634 bonds (distance) P-C4' energy: -115.942 flat angles C4'-P-C4' energy: -117.103 flat angles P-C4'-P energy: -68.980 tors. eta vs tors. theta energy: 10.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -2632.985325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.985325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.985325 (E_RNA) where: Base-Base interactions energy: -1817.791 where: short stacking energy: -793.254 Base-Backbone interact. energy: -6.377 local terms energy: -808.818041 where: bonds (distance) C4'-P energy: -135.638 bonds (distance) P-C4' energy: -154.219 flat angles C4'-P-C4' energy: -172.119 flat angles P-C4'-P energy: -97.950 tors. eta vs tors. theta energy: -248.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2497.802978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.802978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.802978 (E_RNA) where: Base-Base interactions energy: -1713.074 where: short stacking energy: -742.156 Base-Backbone interact. energy: -3.526 local terms energy: -781.203143 where: bonds (distance) C4'-P energy: -144.326 bonds (distance) P-C4' energy: -134.791 flat angles C4'-P-C4' energy: -170.256 flat angles P-C4'-P energy: -112.602 tors. eta vs tors. theta energy: -219.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2379.269608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.269608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.269608 (E_RNA) where: Base-Base interactions energy: -1648.739 where: short stacking energy: -701.612 Base-Backbone interact. energy: 0.572 local terms energy: -731.103040 where: bonds (distance) C4'-P energy: -120.982 bonds (distance) P-C4' energy: -150.812 flat angles C4'-P-C4' energy: -160.092 flat angles P-C4'-P energy: -98.085 tors. eta vs tors. theta energy: -201.131 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: 4, replica: 9 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2302.794764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.794764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.794764 (E_RNA) where: Base-Base interactions energy: -1580.660 where: short stacking energy: -681.250 Base-Backbone interact. energy: 1.512 local terms energy: -723.646786 where: bonds (distance) C4'-P energy: -132.572 bonds (distance) P-C4' energy: -139.929 flat angles C4'-P-C4' energy: -153.808 flat angles P-C4'-P energy: -109.599 tors. eta vs tors. theta energy: -187.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2132.343556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.343556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.343556 (E_RNA) where: Base-Base interactions energy: -1461.418 where: short stacking energy: -620.198 Base-Backbone interact. energy: -4.141 local terms energy: -666.784786 where: bonds (distance) C4'-P energy: -124.273 bonds (distance) P-C4' energy: -118.476 flat angles C4'-P-C4' energy: -148.535 flat angles P-C4'-P energy: -107.082 tors. eta vs tors. theta energy: -168.419 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: 4 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1865.664525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.664525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.664525 (E_RNA) where: Base-Base interactions energy: -1238.057 where: short stacking energy: -553.753 Base-Backbone interact. energy: 2.282 local terms energy: -629.889150 where: bonds (distance) C4'-P energy: -121.253 bonds (distance) P-C4' energy: -141.790 flat angles C4'-P-C4' energy: -139.511 flat angles P-C4'-P energy: -92.859 tors. eta vs tors. theta energy: -134.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1812.442709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.442709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.442709 (E_RNA) where: Base-Base interactions energy: -1207.650 where: short stacking energy: -539.723 Base-Backbone interact. energy: -3.270 local terms energy: -601.693258 where: bonds (distance) C4'-P energy: -124.944 bonds (distance) P-C4' energy: -127.235 flat angles C4'-P-C4' energy: -144.442 flat angles P-C4'-P energy: -67.721 tors. eta vs tors. theta energy: -137.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.171 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1462.352342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.352342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.352342 (E_RNA) where: Base-Base interactions energy: -910.796 where: short stacking energy: -374.872 Base-Backbone interact. energy: -2.614 local terms energy: -548.942810 where: bonds (distance) C4'-P energy: -131.029 bonds (distance) P-C4' energy: -149.176 flat angles C4'-P-C4' energy: -122.349 flat angles P-C4'-P energy: -72.371 tors. eta vs tors. theta energy: -74.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1277.256919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.256919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.256919 (E_RNA) where: Base-Base interactions energy: -757.907 where: short stacking energy: -373.752 Base-Backbone interact. energy: 1.276 local terms energy: -520.625661 where: bonds (distance) C4'-P energy: -118.686 bonds (distance) P-C4' energy: -132.436 flat angles C4'-P-C4' energy: -120.950 flat angles P-C4'-P energy: -75.432 tors. eta vs tors. theta energy: -73.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -736.894457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.894457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.894457 (E_RNA) where: Base-Base interactions energy: -385.487 where: short stacking energy: -240.187 Base-Backbone interact. energy: -1.017 local terms energy: -350.390021 where: bonds (distance) C4'-P energy: -112.508 bonds (distance) P-C4' energy: -123.963 flat angles C4'-P-C4' energy: -74.246 flat angles P-C4'-P energy: -56.651 tors. eta vs tors. theta energy: 16.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -2629.658370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.658370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.658370 (E_RNA) where: Base-Base interactions energy: -1804.630 where: short stacking energy: -780.134 Base-Backbone interact. energy: -0.947 local terms energy: -824.080984 where: bonds (distance) C4'-P energy: -144.387 bonds (distance) P-C4' energy: -160.688 flat angles C4'-P-C4' energy: -165.058 flat angles P-C4'-P energy: -115.718 tors. eta vs tors. theta energy: -238.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2443.082132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.082132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.082132 (E_RNA) where: Base-Base interactions energy: -1659.951 where: short stacking energy: -709.794 Base-Backbone interact. energy: -3.054 local terms energy: -780.077276 where: bonds (distance) C4'-P energy: -147.950 bonds (distance) P-C4' energy: -151.606 flat angles C4'-P-C4' energy: -167.919 flat angles P-C4'-P energy: -114.827 tors. eta vs tors. theta energy: -197.775 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: 2 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2385.587860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.587860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.587860 (E_RNA) where: Base-Base interactions energy: -1626.698 where: short stacking energy: -707.555 Base-Backbone interact. energy: -1.961 local terms energy: -756.928306 where: bonds (distance) C4'-P energy: -145.742 bonds (distance) P-C4' energy: -132.219 flat angles C4'-P-C4' energy: -170.296 flat angles P-C4'-P energy: -97.988 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: 4, replica: 9 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2292.467327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.467327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.467327 (E_RNA) where: Base-Base interactions energy: -1585.809 where: short stacking energy: -687.779 Base-Backbone interact. energy: 2.673 local terms energy: -709.331321 where: bonds (distance) C4'-P energy: -141.601 bonds (distance) P-C4' energy: -122.551 flat angles C4'-P-C4' energy: -159.682 flat angles P-C4'-P energy: -87.270 tors. eta vs tors. theta energy: -198.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2152.655537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.655537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.655537 (E_RNA) where: Base-Base interactions energy: -1479.542 where: short stacking energy: -592.031 Base-Backbone interact. energy: 4.258 local terms energy: -677.371689 where: bonds (distance) C4'-P energy: -130.545 bonds (distance) P-C4' energy: -130.747 flat angles C4'-P-C4' energy: -158.813 flat angles P-C4'-P energy: -94.050 tors. eta vs tors. theta energy: -163.217 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: 6, replica: 4 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1869.034545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.034545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.034545 (E_RNA) where: Base-Base interactions energy: -1239.885 where: short stacking energy: -551.777 Base-Backbone interact. energy: -1.522 local terms energy: -627.627385 where: bonds (distance) C4'-P energy: -115.554 bonds (distance) P-C4' energy: -142.907 flat angles C4'-P-C4' energy: -144.914 flat angles P-C4'-P energy: -85.073 tors. eta vs tors. theta energy: -139.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1778.165066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.165066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.165066 (E_RNA) where: Base-Base interactions energy: -1149.244 where: short stacking energy: -530.590 Base-Backbone interact. energy: 0.553 local terms energy: -629.474143 where: bonds (distance) C4'-P energy: -112.416 bonds (distance) P-C4' energy: -137.329 flat angles C4'-P-C4' energy: -134.754 flat angles P-C4'-P energy: -98.787 tors. eta vs tors. theta energy: -146.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1401.803857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.803857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.803857 (E_RNA) where: Base-Base interactions energy: -890.935 where: short stacking energy: -411.971 Base-Backbone interact. energy: -1.960 local terms energy: -508.908577 where: bonds (distance) C4'-P energy: -111.087 bonds (distance) P-C4' energy: -115.656 flat angles C4'-P-C4' energy: -128.934 flat angles P-C4'-P energy: -63.958 tors. eta vs tors. theta energy: -89.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -1283.816007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.816007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.816007 (E_RNA) where: Base-Base interactions energy: -808.769 where: short stacking energy: -365.753 Base-Backbone interact. energy: 2.051 local terms energy: -477.097687 where: bonds (distance) C4'-P energy: -117.504 bonds (distance) P-C4' energy: -112.903 flat angles C4'-P-C4' energy: -108.750 flat angles P-C4'-P energy: -57.585 tors. eta vs tors. theta energy: -80.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -761.030478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.030478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.030478 (E_RNA) where: Base-Base interactions energy: -356.697 where: short stacking energy: -209.351 Base-Backbone interact. energy: 5.706 local terms energy: -410.039132 where: bonds (distance) C4'-P energy: -125.464 bonds (distance) P-C4' energy: -121.814 flat angles C4'-P-C4' energy: -100.462 flat angles P-C4'-P energy: -64.190 tors. eta vs tors. theta energy: 1.891 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: 3 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -2644.440089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.440089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.440089 (E_RNA) where: Base-Base interactions energy: -1837.695 where: short stacking energy: -805.947 Base-Backbone interact. energy: -2.547 local terms energy: -804.198076 where: bonds (distance) C4'-P energy: -147.079 bonds (distance) P-C4' energy: -145.143 flat angles C4'-P-C4' energy: -167.979 flat angles P-C4'-P energy: -99.352 tors. eta vs tors. theta energy: -244.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2487.093456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.093456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.093456 (E_RNA) where: Base-Base interactions energy: -1721.413 where: short stacking energy: -760.215 Base-Backbone interact. energy: -0.380 local terms energy: -765.300744 where: bonds (distance) C4'-P energy: -140.299 bonds (distance) P-C4' energy: -146.782 flat angles C4'-P-C4' energy: -167.275 flat angles P-C4'-P energy: -93.809 tors. eta vs tors. theta energy: -217.135 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: 7 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2411.548707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.548707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.548707 (E_RNA) where: Base-Base interactions energy: -1631.315 where: short stacking energy: -703.575 Base-Backbone interact. energy: -1.513 local terms energy: -778.721469 where: bonds (distance) C4'-P energy: -144.456 bonds (distance) P-C4' energy: -157.199 flat angles C4'-P-C4' energy: -180.621 flat angles P-C4'-P energy: -93.273 tors. eta vs tors. theta energy: -203.172 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: 9 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2292.236841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.236841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.236841 (E_RNA) where: Base-Base interactions energy: -1533.687 where: short stacking energy: -676.111 Base-Backbone interact. energy: -3.407 local terms energy: -755.143310 where: bonds (distance) C4'-P energy: -154.925 bonds (distance) P-C4' energy: -137.192 flat angles C4'-P-C4' energy: -159.826 flat angles P-C4'-P energy: -110.763 tors. eta vs tors. theta energy: -192.437 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: 8 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2128.220840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.220840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.220840 (E_RNA) where: Base-Base interactions energy: -1468.732 where: short stacking energy: -597.399 Base-Backbone interact. energy: -5.520 local terms energy: -653.968702 where: bonds (distance) C4'-P energy: -111.895 bonds (distance) P-C4' energy: -143.772 flat angles C4'-P-C4' energy: -146.844 flat angles P-C4'-P energy: -89.759 tors. eta vs tors. theta energy: -161.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1865.975911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.975911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.975911 (E_RNA) where: Base-Base interactions energy: -1238.354 where: short stacking energy: -561.882 Base-Backbone interact. energy: -1.592 local terms energy: -626.030131 where: bonds (distance) C4'-P energy: -125.054 bonds (distance) P-C4' energy: -128.359 flat angles C4'-P-C4' energy: -154.273 flat angles P-C4'-P energy: -86.460 tors. eta vs tors. theta energy: -131.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1826.028952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.028952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.028952 (E_RNA) where: Base-Base interactions energy: -1186.438 where: short stacking energy: -524.516 Base-Backbone interact. energy: -2.051 local terms energy: -637.539983 where: bonds (distance) C4'-P energy: -119.948 bonds (distance) P-C4' energy: -132.008 flat angles C4'-P-C4' energy: -151.926 flat angles P-C4'-P energy: -98.873 tors. eta vs tors. theta energy: -134.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1320.279706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.279706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.279706 (E_RNA) where: Base-Base interactions energy: -812.688 where: short stacking energy: -363.681 Base-Backbone interact. energy: -1.889 local terms energy: -505.702829 where: bonds (distance) C4'-P energy: -110.784 bonds (distance) P-C4' energy: -145.833 flat angles C4'-P-C4' energy: -122.474 flat angles P-C4'-P energy: -60.324 tors. eta vs tors. theta energy: -66.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -1308.808610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.808610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.808610 (E_RNA) where: Base-Base interactions energy: -805.419 where: short stacking energy: -348.655 Base-Backbone interact. energy: -2.550 local terms energy: -500.942327 where: bonds (distance) C4'-P energy: -122.158 bonds (distance) P-C4' energy: -145.406 flat angles C4'-P-C4' energy: -111.779 flat angles P-C4'-P energy: -63.733 tors. eta vs tors. theta energy: -57.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.103 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -760.523290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.523290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.523290 (E_RNA) where: Base-Base interactions energy: -384.642 where: short stacking energy: -210.441 Base-Backbone interact. energy: -0.239 local terms energy: -375.641997 where: bonds (distance) C4'-P energy: -108.308 bonds (distance) P-C4' energy: -114.998 flat angles C4'-P-C4' energy: -106.792 flat angles P-C4'-P energy: -53.850 tors. eta vs tors. theta energy: 8.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -2635.042827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.042827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.042827 (E_RNA) where: Base-Base interactions energy: -1806.849 where: short stacking energy: -786.650 Base-Backbone interact. energy: -2.116 local terms energy: -826.077738 where: bonds (distance) C4'-P energy: -131.023 bonds (distance) P-C4' energy: -153.722 flat angles C4'-P-C4' energy: -179.920 flat angles P-C4'-P energy: -125.675 tors. eta vs tors. theta energy: -235.738 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: 2 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2479.632454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.632454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.632454 (E_RNA) where: Base-Base interactions energy: -1680.382 where: short stacking energy: -725.995 Base-Backbone interact. energy: -4.709 local terms energy: -794.542162 where: bonds (distance) C4'-P energy: -155.873 bonds (distance) P-C4' energy: -138.166 flat angles C4'-P-C4' energy: -160.772 flat angles P-C4'-P energy: -112.373 tors. eta vs tors. theta energy: -227.358 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: 422 Temperature: 1.000000 Total energy: -2396.126284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.126284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.126284 (E_RNA) where: Base-Base interactions energy: -1638.726 where: short stacking energy: -712.610 Base-Backbone interact. energy: -2.099 local terms energy: -755.301082 where: bonds (distance) C4'-P energy: -131.341 bonds (distance) P-C4' energy: -157.998 flat angles C4'-P-C4' energy: -158.036 flat angles P-C4'-P energy: -103.896 tors. eta vs tors. theta energy: -204.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2322.944605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.944605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.944605 (E_RNA) where: Base-Base interactions energy: -1568.404 where: short stacking energy: -688.984 Base-Backbone interact. energy: -2.633 local terms energy: -751.907432 where: bonds (distance) C4'-P energy: -124.717 bonds (distance) P-C4' energy: -145.337 flat angles C4'-P-C4' energy: -159.442 flat angles P-C4'-P energy: -109.729 tors. eta vs tors. theta energy: -212.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2149.721975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.721975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.721975 (E_RNA) where: Base-Base interactions energy: -1466.070 where: short stacking energy: -619.687 Base-Backbone interact. energy: -0.426 local terms energy: -683.708326 where: bonds (distance) C4'-P energy: -139.529 bonds (distance) P-C4' energy: -138.300 flat angles C4'-P-C4' energy: -143.191 flat angles P-C4'-P energy: -98.672 tors. eta vs tors. theta energy: -164.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.482 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1930.629110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.629110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.629110 (E_RNA) where: Base-Base interactions energy: -1309.408 where: short stacking energy: -548.674 Base-Backbone interact. energy: 0.442 local terms energy: -621.662702 where: bonds (distance) C4'-P energy: -120.015 bonds (distance) P-C4' energy: -131.877 flat angles C4'-P-C4' energy: -129.160 flat angles P-C4'-P energy: -92.684 tors. eta vs tors. theta energy: -147.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1844.483175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.483175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.483175 (E_RNA) where: Base-Base interactions energy: -1206.655 where: short stacking energy: -502.641 Base-Backbone interact. energy: -0.273 local terms energy: -637.554962 where: bonds (distance) C4'-P energy: -121.019 bonds (distance) P-C4' energy: -149.181 flat angles C4'-P-C4' energy: -145.733 flat angles P-C4'-P energy: -97.751 tors. eta vs tors. theta energy: -123.872 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: 5 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1321.980700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.980700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.980700 (E_RNA) where: Base-Base interactions energy: -804.321 where: short stacking energy: -388.955 Base-Backbone interact. energy: -1.412 local terms energy: -516.246916 where: bonds (distance) C4'-P energy: -123.082 bonds (distance) P-C4' energy: -116.501 flat angles C4'-P-C4' energy: -125.310 flat angles P-C4'-P energy: -75.335 tors. eta vs tors. theta energy: -76.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -1329.607165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.607165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.607165 (E_RNA) where: Base-Base interactions energy: -846.273 where: short stacking energy: -361.446 Base-Backbone interact. energy: 0.023 local terms energy: -483.357261 where: bonds (distance) C4'-P energy: -122.321 bonds (distance) P-C4' energy: -128.324 flat angles C4'-P-C4' energy: -115.232 flat angles P-C4'-P energy: -53.988 tors. eta vs tors. theta energy: -63.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -735.565535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.565535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.565535 (E_RNA) where: Base-Base interactions energy: -349.464 where: short stacking energy: -214.013 Base-Backbone interact. energy: -0.051 local terms energy: -386.049997 where: bonds (distance) C4'-P energy: -98.119 bonds (distance) P-C4' energy: -126.727 flat angles C4'-P-C4' energy: -110.021 flat angles P-C4'-P energy: -66.266 tors. eta vs tors. theta energy: 15.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -2647.155423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.155423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.155423 (E_RNA) where: Base-Base interactions energy: -1845.626 where: short stacking energy: -775.856 Base-Backbone interact. energy: -3.186 local terms energy: -798.343601 where: bonds (distance) C4'-P energy: -136.332 bonds (distance) P-C4' energy: -143.603 flat angles C4'-P-C4' energy: -177.090 flat angles P-C4'-P energy: -116.258 tors. eta vs tors. theta energy: -225.061 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: 2, replica: 2 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2470.355219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.355219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.355219 (E_RNA) where: Base-Base interactions energy: -1696.618 where: short stacking energy: -718.132 Base-Backbone interact. energy: -0.474 local terms energy: -773.262690 where: bonds (distance) C4'-P energy: -144.831 bonds (distance) P-C4' energy: -140.766 flat angles C4'-P-C4' energy: -166.217 flat angles P-C4'-P energy: -109.309 tors. eta vs tors. theta energy: -212.141 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: 423 Temperature: 1.000000 Total energy: -2390.141343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.141343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.141343 (E_RNA) where: Base-Base interactions energy: -1647.155 where: short stacking energy: -694.681 Base-Backbone interact. energy: -0.441 local terms energy: -742.545697 where: bonds (distance) C4'-P energy: -143.994 bonds (distance) P-C4' energy: -151.833 flat angles C4'-P-C4' energy: -164.952 flat angles P-C4'-P energy: -92.288 tors. eta vs tors. theta energy: -189.479 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: 423 Temperature: 1.050000 Total energy: -2293.875527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.875527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.875527 (E_RNA) where: Base-Base interactions energy: -1588.610 where: short stacking energy: -688.900 Base-Backbone interact. energy: 0.262 local terms energy: -705.527353 where: bonds (distance) C4'-P energy: -123.246 bonds (distance) P-C4' energy: -135.762 flat angles C4'-P-C4' energy: -162.568 flat angles P-C4'-P energy: -85.784 tors. eta vs tors. theta energy: -198.168 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: 8 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -2096.077238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.077238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.077238 (E_RNA) where: Base-Base interactions energy: -1459.256 where: short stacking energy: -619.413 Base-Backbone interact. energy: 1.670 local terms energy: -638.507259 where: bonds (distance) C4'-P energy: -121.210 bonds (distance) P-C4' energy: -123.722 flat angles C4'-P-C4' energy: -136.815 flat angles P-C4'-P energy: -95.887 tors. eta vs tors. theta energy: -160.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.016 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1892.970135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.970135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.970135 (E_RNA) where: Base-Base interactions energy: -1284.015 where: short stacking energy: -517.946 Base-Backbone interact. energy: -2.679 local terms energy: -606.275909 where: bonds (distance) C4'-P energy: -138.035 bonds (distance) P-C4' energy: -116.581 flat angles C4'-P-C4' energy: -142.207 flat angles P-C4'-P energy: -81.649 tors. eta vs tors. theta energy: -127.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1770.989681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.989681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.989681 (E_RNA) where: Base-Base interactions energy: -1175.599 where: short stacking energy: -542.686 Base-Backbone interact. energy: -1.443 local terms energy: -593.947762 where: bonds (distance) C4'-P energy: -123.887 bonds (distance) P-C4' energy: -134.778 flat angles C4'-P-C4' energy: -126.956 flat angles P-C4'-P energy: -70.943 tors. eta vs tors. theta energy: -137.384 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: 8, replica: 6 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1296.696952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.696952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.696952 (E_RNA) where: Base-Base interactions energy: -799.715 where: short stacking energy: -328.445 Base-Backbone interact. energy: 1.229 local terms energy: -498.211044 where: bonds (distance) C4'-P energy: -134.423 bonds (distance) P-C4' energy: -119.180 flat angles C4'-P-C4' energy: -124.651 flat angles P-C4'-P energy: -68.649 tors. eta vs tors. theta energy: -51.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -1217.690237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.690237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.690237 (E_RNA) where: Base-Base interactions energy: -741.504 where: short stacking energy: -337.786 Base-Backbone interact. energy: 2.161 local terms energy: -478.346811 where: bonds (distance) C4'-P energy: -109.965 bonds (distance) P-C4' energy: -102.937 flat angles C4'-P-C4' energy: -129.192 flat angles P-C4'-P energy: -86.538 tors. eta vs tors. theta energy: -49.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -760.370611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.370611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.370611 (E_RNA) where: Base-Base interactions energy: -385.714 where: short stacking energy: -209.100 Base-Backbone interact. energy: -1.202 local terms energy: -373.454467 where: bonds (distance) C4'-P energy: -92.878 bonds (distance) P-C4' energy: -124.962 flat angles C4'-P-C4' energy: -110.910 flat angles P-C4'-P energy: -57.795 tors. eta vs tors. theta energy: 13.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -2624.726477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.726477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.726477 (E_RNA) where: Base-Base interactions energy: -1809.645 where: short stacking energy: -782.417 Base-Backbone interact. energy: -2.378 local terms energy: -812.703041 where: bonds (distance) C4'-P energy: -143.306 bonds (distance) P-C4' energy: -146.968 flat angles C4'-P-C4' energy: -169.702 flat angles P-C4'-P energy: -120.153 tors. eta vs tors. theta energy: -232.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2435.595150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.595150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.595150 (E_RNA) where: Base-Base interactions energy: -1647.144 where: short stacking energy: -705.612 Base-Backbone interact. energy: -0.249 local terms energy: -788.201857 where: bonds (distance) C4'-P energy: -146.532 bonds (distance) P-C4' energy: -141.400 flat angles C4'-P-C4' energy: -172.639 flat angles P-C4'-P energy: -109.958 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: 3, replica: 7 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2392.362710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.362710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.362710 (E_RNA) where: Base-Base interactions energy: -1664.134 where: short stacking energy: -701.029 Base-Backbone interact. energy: -2.945 local terms energy: -725.284033 where: bonds (distance) C4'-P energy: -125.682 bonds (distance) P-C4' energy: -142.403 flat angles C4'-P-C4' energy: -153.937 flat angles P-C4'-P energy: -99.875 tors. eta vs tors. theta energy: -203.387 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: 9 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2285.212290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.212290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.212290 (E_RNA) where: Base-Base interactions energy: -1581.797 where: short stacking energy: -680.930 Base-Backbone interact. energy: -0.304 local terms energy: -703.111851 where: bonds (distance) C4'-P energy: -135.335 bonds (distance) P-C4' energy: -135.234 flat angles C4'-P-C4' energy: -138.380 flat angles P-C4'-P energy: -106.959 tors. eta vs tors. theta energy: -187.205 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: 8 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2103.059261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.059261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.059261 (E_RNA) where: Base-Base interactions energy: -1416.994 where: short stacking energy: -612.864 Base-Backbone interact. energy: 4.360 local terms energy: -690.425527 where: bonds (distance) C4'-P energy: -133.671 bonds (distance) P-C4' energy: -150.870 flat angles C4'-P-C4' energy: -144.806 flat angles P-C4'-P energy: -93.946 tors. eta vs tors. theta energy: -167.132 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: 424 Temperature: 1.150000 Total energy: -1894.652814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.652814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.652814 (E_RNA) where: Base-Base interactions energy: -1257.675 where: short stacking energy: -518.680 Base-Backbone interact. energy: -2.054 local terms energy: -634.923765 where: bonds (distance) C4'-P energy: -137.895 bonds (distance) P-C4' energy: -120.275 flat angles C4'-P-C4' energy: -145.952 flat angles P-C4'-P energy: -91.401 tors. eta vs tors. theta energy: -139.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1785.621577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.621577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.621577 (E_RNA) where: Base-Base interactions energy: -1204.577 where: short stacking energy: -533.629 Base-Backbone interact. energy: -4.899 local terms energy: -576.146076 where: bonds (distance) C4'-P energy: -129.552 bonds (distance) P-C4' energy: -100.716 flat angles C4'-P-C4' energy: -150.906 flat angles P-C4'-P energy: -75.910 tors. eta vs tors. theta energy: -119.062 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: 8, replica: 6 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1319.624435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.624435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.624435 (E_RNA) where: Base-Base interactions energy: -809.832 where: short stacking energy: -357.447 Base-Backbone interact. energy: 0.902 local terms energy: -510.694460 where: bonds (distance) C4'-P energy: -110.235 bonds (distance) P-C4' energy: -139.365 flat angles C4'-P-C4' energy: -133.006 flat angles P-C4'-P energy: -74.976 tors. eta vs tors. theta energy: -53.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -1056.217711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.217711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.217711 (E_RNA) where: Base-Base interactions energy: -621.172 where: short stacking energy: -303.841 Base-Backbone interact. energy: -0.594 local terms energy: -434.451477 where: bonds (distance) C4'-P energy: -106.233 bonds (distance) P-C4' energy: -126.465 flat angles C4'-P-C4' energy: -101.093 flat angles P-C4'-P energy: -71.041 tors. eta vs tors. theta energy: -29.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -765.592593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.592593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.592593 (E_RNA) where: Base-Base interactions energy: -372.998 where: short stacking energy: -212.792 Base-Backbone interact. energy: 2.827 local terms energy: -395.421119 where: bonds (distance) C4'-P energy: -104.962 bonds (distance) P-C4' energy: -144.855 flat angles C4'-P-C4' energy: -111.326 flat angles P-C4'-P energy: -59.174 tors. eta vs tors. theta energy: 24.895 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: 3 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -2637.582458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.582458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.582458 (E_RNA) where: Base-Base interactions energy: -1824.141 where: short stacking energy: -786.603 Base-Backbone interact. energy: -0.127 local terms energy: -814.620974 where: bonds (distance) C4'-P energy: -141.966 bonds (distance) P-C4' energy: -151.622 flat angles C4'-P-C4' energy: -172.287 flat angles P-C4'-P energy: -114.688 tors. eta vs tors. theta energy: -234.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.307 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2452.415780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.415780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.415780 (E_RNA) where: Base-Base interactions energy: -1692.237 where: short stacking energy: -723.842 Base-Backbone interact. energy: -4.029 local terms energy: -756.150224 where: bonds (distance) C4'-P energy: -133.689 bonds (distance) P-C4' energy: -143.298 flat angles C4'-P-C4' energy: -159.308 flat angles P-C4'-P energy: -108.698 tors. eta vs tors. theta energy: -211.158 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: 425 Temperature: 1.000000 Total energy: -2415.998866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.998866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.998866 (E_RNA) where: Base-Base interactions energy: -1669.312 where: short stacking energy: -706.569 Base-Backbone interact. energy: -3.073 local terms energy: -743.614305 where: bonds (distance) C4'-P energy: -140.183 bonds (distance) P-C4' energy: -150.139 flat angles C4'-P-C4' energy: -168.831 flat angles P-C4'-P energy: -85.096 tors. eta vs tors. theta energy: -199.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2300.038888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.038888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.038888 (E_RNA) where: Base-Base interactions energy: -1588.628 where: short stacking energy: -687.128 Base-Backbone interact. energy: -2.165 local terms energy: -709.245672 where: bonds (distance) C4'-P energy: -129.677 bonds (distance) P-C4' energy: -126.344 flat angles C4'-P-C4' energy: -166.790 flat angles P-C4'-P energy: -100.228 tors. eta vs tors. theta energy: -186.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2130.753558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.753558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.753558 (E_RNA) where: Base-Base interactions energy: -1437.507 where: short stacking energy: -577.144 Base-Backbone interact. energy: -0.343 local terms energy: -692.903073 where: bonds (distance) C4'-P energy: -145.111 bonds (distance) P-C4' energy: -141.958 flat angles C4'-P-C4' energy: -152.871 flat angles P-C4'-P energy: -98.487 tors. eta vs tors. theta energy: -154.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1936.201723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.201723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.201723 (E_RNA) where: Base-Base interactions energy: -1315.163 where: short stacking energy: -554.175 Base-Backbone interact. energy: -0.636 local terms energy: -620.403573 where: bonds (distance) C4'-P energy: -127.053 bonds (distance) P-C4' energy: -135.601 flat angles C4'-P-C4' energy: -146.960 flat angles P-C4'-P energy: -82.141 tors. eta vs tors. theta energy: -128.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1723.327482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.327482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.327482 (E_RNA) where: Base-Base interactions energy: -1148.119 where: short stacking energy: -497.444 Base-Backbone interact. energy: 1.858 local terms energy: -577.065966 where: bonds (distance) C4'-P energy: -134.187 bonds (distance) P-C4' energy: -117.690 flat angles C4'-P-C4' energy: -136.250 flat angles P-C4'-P energy: -82.238 tors. eta vs tors. theta energy: -106.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1283.691167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.691167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.691167 (E_RNA) where: Base-Base interactions energy: -783.315 where: short stacking energy: -382.148 Base-Backbone interact. energy: -2.117 local terms energy: -498.258879 where: bonds (distance) C4'-P energy: -119.267 bonds (distance) P-C4' energy: -133.573 flat angles C4'-P-C4' energy: -117.583 flat angles P-C4'-P energy: -88.374 tors. eta vs tors. theta energy: -39.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1107.214621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.214621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.214621 (E_RNA) where: Base-Base interactions energy: -646.624 where: short stacking energy: -318.648 Base-Backbone interact. energy: -0.144 local terms energy: -460.446260 where: bonds (distance) C4'-P energy: -114.823 bonds (distance) P-C4' energy: -129.939 flat angles C4'-P-C4' energy: -123.871 flat angles P-C4'-P energy: -65.250 tors. eta vs tors. theta energy: -26.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -721.023390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.023390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.023390 (E_RNA) where: Base-Base interactions energy: -316.620 where: short stacking energy: -185.387 Base-Backbone interact. energy: 3.457 local terms energy: -407.860017 where: bonds (distance) C4'-P energy: -105.891 bonds (distance) P-C4' energy: -146.463 flat angles C4'-P-C4' energy: -102.118 flat angles P-C4'-P energy: -65.822 tors. eta vs tors. theta energy: 12.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -2624.311842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.311842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.311842 (E_RNA) where: Base-Base interactions energy: -1824.991 where: short stacking energy: -818.406 Base-Backbone interact. energy: -2.267 local terms energy: -797.712644 where: bonds (distance) C4'-P energy: -138.739 bonds (distance) P-C4' energy: -136.910 flat angles C4'-P-C4' energy: -169.790 flat angles P-C4'-P energy: -114.761 tors. eta vs tors. theta energy: -237.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.659 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2454.181280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.181280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.181280 (E_RNA) where: Base-Base interactions energy: -1706.833 where: short stacking energy: -746.020 Base-Backbone interact. energy: -2.895 local terms energy: -744.452760 where: bonds (distance) C4'-P energy: -132.106 bonds (distance) P-C4' energy: -141.883 flat angles C4'-P-C4' energy: -168.666 flat angles P-C4'-P energy: -97.537 tors. eta vs tors. theta energy: -204.262 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: 3, replica: 7 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2419.087658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.087658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.087658 (E_RNA) where: Base-Base interactions energy: -1674.404 where: short stacking energy: -715.670 Base-Backbone interact. energy: -0.183 local terms energy: -744.500580 where: bonds (distance) C4'-P energy: -150.224 bonds (distance) P-C4' energy: -145.978 flat angles C4'-P-C4' energy: -159.828 flat angles P-C4'-P energy: -98.938 tors. eta vs tors. theta energy: -189.533 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: 9 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2329.226525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.226525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.226525 (E_RNA) where: Base-Base interactions energy: -1590.947 where: short stacking energy: -687.286 Base-Backbone interact. energy: -1.906 local terms energy: -736.374032 where: bonds (distance) C4'-P energy: -133.164 bonds (distance) P-C4' energy: -149.769 flat angles C4'-P-C4' energy: -150.020 flat angles P-C4'-P energy: -112.322 tors. eta vs tors. theta energy: -191.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -2149.723523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.723523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.723523 (E_RNA) where: Base-Base interactions energy: -1474.828 where: short stacking energy: -620.225 Base-Backbone interact. energy: -1.306 local terms energy: -673.589573 where: bonds (distance) C4'-P energy: -138.031 bonds (distance) P-C4' energy: -129.553 flat angles C4'-P-C4' energy: -151.266 flat angles P-C4'-P energy: -85.650 tors. eta vs tors. theta energy: -169.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1815.235822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.235822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.235822 (E_RNA) where: Base-Base interactions energy: -1195.291 where: short stacking energy: -502.910 Base-Backbone interact. energy: -1.095 local terms energy: -618.849677 where: bonds (distance) C4'-P energy: -139.433 bonds (distance) P-C4' energy: -128.493 flat angles C4'-P-C4' energy: -139.820 flat angles P-C4'-P energy: -87.892 tors. eta vs tors. theta energy: -123.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1724.509152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.509152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.509152 (E_RNA) where: Base-Base interactions energy: -1153.267 where: short stacking energy: -485.713 Base-Backbone interact. energy: 2.551 local terms energy: -573.793374 where: bonds (distance) C4'-P energy: -142.348 bonds (distance) P-C4' energy: -119.323 flat angles C4'-P-C4' energy: -127.025 flat angles P-C4'-P energy: -83.508 tors. eta vs tors. theta energy: -101.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1306.662737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.662737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.662737 (E_RNA) where: Base-Base interactions energy: -813.966 where: short stacking energy: -368.608 Base-Backbone interact. energy: 1.895 local terms energy: -494.873785 where: bonds (distance) C4'-P energy: -129.723 bonds (distance) P-C4' energy: -110.546 flat angles C4'-P-C4' energy: -126.864 flat angles P-C4'-P energy: -69.765 tors. eta vs tors. theta energy: -57.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.282 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -1030.033095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.033095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.033095 (E_RNA) where: Base-Base interactions energy: -570.681 where: short stacking energy: -274.513 Base-Backbone interact. energy: 7.044 local terms energy: -466.396204 where: bonds (distance) C4'-P energy: -131.549 bonds (distance) P-C4' energy: -125.998 flat angles C4'-P-C4' energy: -106.240 flat angles P-C4'-P energy: -77.307 tors. eta vs tors. theta energy: -25.302 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: 10 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -710.749202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.749202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.749202 (E_RNA) where: Base-Base interactions energy: -335.269 where: short stacking energy: -211.991 Base-Backbone interact. energy: -2.754 local terms energy: -372.726685 where: bonds (distance) C4'-P energy: -118.593 bonds (distance) P-C4' energy: -125.431 flat angles C4'-P-C4' energy: -81.868 flat angles P-C4'-P energy: -61.206 tors. eta vs tors. theta energy: 14.371 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: 3 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -2650.830526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.830526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.830526 (E_RNA) where: Base-Base interactions energy: -1808.755 where: short stacking energy: -796.282 Base-Backbone interact. energy: -3.553 local terms energy: -840.657103 where: bonds (distance) C4'-P energy: -155.311 bonds (distance) P-C4' energy: -167.012 flat angles C4'-P-C4' energy: -164.825 flat angles P-C4'-P energy: -113.582 tors. eta vs tors. theta energy: -239.927 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: 2, replica: 2 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2453.403314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.403314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.403314 (E_RNA) where: Base-Base interactions energy: -1690.881 where: short stacking energy: -716.623 Base-Backbone interact. energy: -3.810 local terms energy: -758.713164 where: bonds (distance) C4'-P energy: -140.216 bonds (distance) P-C4' energy: -155.983 flat angles C4'-P-C4' energy: -160.906 flat angles P-C4'-P energy: -91.854 tors. eta vs tors. theta energy: -209.755 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: 7 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2411.865745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.865745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.865745 (E_RNA) where: Base-Base interactions energy: -1676.134 where: short stacking energy: -724.572 Base-Backbone interact. energy: -3.375 local terms energy: -732.357223 where: bonds (distance) C4'-P energy: -132.496 bonds (distance) P-C4' energy: -140.594 flat angles C4'-P-C4' energy: -172.227 flat angles P-C4'-P energy: -91.331 tors. eta vs tors. theta energy: -195.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2328.719805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.719805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.719805 (E_RNA) where: Base-Base interactions energy: -1614.001 where: short stacking energy: -717.714 Base-Backbone interact. energy: 0.561 local terms energy: -715.279854 where: bonds (distance) C4'-P energy: -124.964 bonds (distance) P-C4' energy: -128.621 flat angles C4'-P-C4' energy: -158.429 flat angles P-C4'-P energy: -101.730 tors. eta vs tors. theta energy: -201.537 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: 5, replica: 8 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2064.884110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.884110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.884110 (E_RNA) where: Base-Base interactions energy: -1377.084 where: short stacking energy: -591.861 Base-Backbone interact. energy: 0.367 local terms energy: -688.167532 where: bonds (distance) C4'-P energy: -117.828 bonds (distance) P-C4' energy: -156.248 flat angles C4'-P-C4' energy: -169.367 flat angles P-C4'-P energy: -90.419 tors. eta vs tors. theta energy: -154.306 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: 427 Temperature: 1.150000 Total energy: -1868.301502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.301502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.301502 (E_RNA) where: Base-Base interactions energy: -1261.545 where: short stacking energy: -577.843 Base-Backbone interact. energy: 2.931 local terms energy: -609.687612 where: bonds (distance) C4'-P energy: -121.171 bonds (distance) P-C4' energy: -114.479 flat angles C4'-P-C4' energy: -135.314 flat angles P-C4'-P energy: -90.134 tors. eta vs tors. theta energy: -148.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1789.167838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.167838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.167838 (E_RNA) where: Base-Base interactions energy: -1166.578 where: short stacking energy: -507.951 Base-Backbone interact. energy: -1.152 local terms energy: -621.438785 where: bonds (distance) C4'-P energy: -144.280 bonds (distance) P-C4' energy: -147.852 flat angles C4'-P-C4' energy: -127.867 flat angles P-C4'-P energy: -79.006 tors. eta vs tors. theta energy: -122.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1343.603800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.603800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.603800 (E_RNA) where: Base-Base interactions energy: -828.574 where: short stacking energy: -382.383 Base-Backbone interact. energy: -1.091 local terms energy: -513.939422 where: bonds (distance) C4'-P energy: -106.508 bonds (distance) P-C4' energy: -114.641 flat angles C4'-P-C4' energy: -132.333 flat angles P-C4'-P energy: -81.140 tors. eta vs tors. theta energy: -79.317 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: 9, replica: 5 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -1056.447169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.447169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.447169 (E_RNA) where: Base-Base interactions energy: -588.414 where: short stacking energy: -281.686 Base-Backbone interact. energy: 0.728 local terms energy: -468.761154 where: bonds (distance) C4'-P energy: -127.636 bonds (distance) P-C4' energy: -130.571 flat angles C4'-P-C4' energy: -103.863 flat angles P-C4'-P energy: -71.633 tors. eta vs tors. theta energy: -35.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -727.549616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.549616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.549616 (E_RNA) where: Base-Base interactions energy: -359.201 where: short stacking energy: -218.302 Base-Backbone interact. energy: 3.334 local terms energy: -371.682448 where: bonds (distance) C4'-P energy: -125.925 bonds (distance) P-C4' energy: -106.145 flat angles C4'-P-C4' energy: -87.821 flat angles P-C4'-P energy: -48.451 tors. eta vs tors. theta energy: -3.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -2626.401033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.401033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.401033 (E_RNA) where: Base-Base interactions energy: -1807.954 where: short stacking energy: -758.241 Base-Backbone interact. energy: 0.322 local terms energy: -818.768793 where: bonds (distance) C4'-P energy: -150.296 bonds (distance) P-C4' energy: -143.766 flat angles C4'-P-C4' energy: -172.028 flat angles P-C4'-P energy: -115.978 tors. eta vs tors. theta energy: -236.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2467.823406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.823406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.823406 (E_RNA) where: Base-Base interactions energy: -1683.779 where: short stacking energy: -740.883 Base-Backbone interact. energy: 0.729 local terms energy: -784.773305 where: bonds (distance) C4'-P energy: -150.264 bonds (distance) P-C4' energy: -133.098 flat angles C4'-P-C4' energy: -172.568 flat angles P-C4'-P energy: -109.095 tors. eta vs tors. theta energy: -219.747 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: 3, replica: 7 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2407.987184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.987184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.987184 (E_RNA) where: Base-Base interactions energy: -1632.070 where: short stacking energy: -691.898 Base-Backbone interact. energy: 0.733 local terms energy: -776.650406 where: bonds (distance) C4'-P energy: -148.541 bonds (distance) P-C4' energy: -149.892 flat angles C4'-P-C4' energy: -167.500 flat angles P-C4'-P energy: -106.762 tors. eta vs tors. theta energy: -203.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2285.573310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.573310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.573310 (E_RNA) where: Base-Base interactions energy: -1549.862 where: short stacking energy: -642.741 Base-Backbone interact. energy: -1.931 local terms energy: -733.780451 where: bonds (distance) C4'-P energy: -143.921 bonds (distance) P-C4' energy: -135.530 flat angles C4'-P-C4' energy: -158.732 flat angles P-C4'-P energy: -104.207 tors. eta vs tors. theta energy: -191.391 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: 8 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2091.274232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.274232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.274232 (E_RNA) where: Base-Base interactions energy: -1427.992 where: short stacking energy: -626.216 Base-Backbone interact. energy: -2.157 local terms energy: -661.125161 where: bonds (distance) C4'-P energy: -127.038 bonds (distance) P-C4' energy: -126.563 flat angles C4'-P-C4' energy: -155.966 flat angles P-C4'-P energy: -92.486 tors. eta vs tors. theta energy: -159.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1869.719858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.719858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.719858 (E_RNA) where: Base-Base interactions energy: -1262.480 where: short stacking energy: -530.477 Base-Backbone interact. energy: -3.132 local terms energy: -604.107313 where: bonds (distance) C4'-P energy: -110.157 bonds (distance) P-C4' energy: -123.386 flat angles C4'-P-C4' energy: -150.924 flat angles P-C4'-P energy: -88.966 tors. eta vs tors. theta energy: -130.675 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: 1 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1787.441388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.441388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.441388 (E_RNA) where: Base-Base interactions energy: -1181.711 where: short stacking energy: -546.243 Base-Backbone interact. energy: -2.443 local terms energy: -603.287131 where: bonds (distance) C4'-P energy: -121.141 bonds (distance) P-C4' energy: -115.680 flat angles C4'-P-C4' energy: -143.702 flat angles P-C4'-P energy: -91.900 tors. eta vs tors. theta energy: -130.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1332.783813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.783813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.783813 (E_RNA) where: Base-Base interactions energy: -836.659 where: short stacking energy: -390.989 Base-Backbone interact. energy: -0.297 local terms energy: -495.827349 where: bonds (distance) C4'-P energy: -104.571 bonds (distance) P-C4' energy: -123.578 flat angles C4'-P-C4' energy: -122.972 flat angles P-C4'-P energy: -72.285 tors. eta vs tors. theta energy: -72.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -1093.266990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.266990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.266990 (E_RNA) where: Base-Base interactions energy: -618.432 where: short stacking energy: -331.305 Base-Backbone interact. energy: 3.890 local terms energy: -478.724447 where: bonds (distance) C4'-P energy: -129.718 bonds (distance) P-C4' energy: -133.728 flat angles C4'-P-C4' energy: -108.468 flat angles P-C4'-P energy: -68.453 tors. eta vs tors. theta energy: -38.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -710.826677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.826677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.826677 (E_RNA) where: Base-Base interactions energy: -319.802 where: short stacking energy: -200.937 Base-Backbone interact. energy: 3.098 local terms energy: -394.122945 where: bonds (distance) C4'-P energy: -120.805 bonds (distance) P-C4' energy: -122.578 flat angles C4'-P-C4' energy: -101.581 flat angles P-C4'-P energy: -67.856 tors. eta vs tors. theta energy: 18.697 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: 3 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -2596.452351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.452351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.452351 (E_RNA) where: Base-Base interactions energy: -1766.211 where: short stacking energy: -779.493 Base-Backbone interact. energy: -2.937 local terms energy: -827.304179 where: bonds (distance) C4'-P energy: -142.182 bonds (distance) P-C4' energy: -160.139 flat angles C4'-P-C4' energy: -170.247 flat angles P-C4'-P energy: -121.779 tors. eta vs tors. theta energy: -232.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -2430.796650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.796650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.796650 (E_RNA) where: Base-Base interactions energy: -1659.057 where: short stacking energy: -706.322 Base-Backbone interact. energy: -1.950 local terms energy: -769.789586 where: bonds (distance) C4'-P energy: -142.668 bonds (distance) P-C4' energy: -161.353 flat angles C4'-P-C4' energy: -153.996 flat angles P-C4'-P energy: -108.622 tors. eta vs tors. theta energy: -203.151 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: 429 Temperature: 1.000000 Total energy: -2391.044193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.044193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.044193 (E_RNA) where: Base-Base interactions energy: -1626.548 where: short stacking energy: -683.619 Base-Backbone interact. energy: -3.337 local terms energy: -761.159112 where: bonds (distance) C4'-P energy: -148.855 bonds (distance) P-C4' energy: -135.551 flat angles C4'-P-C4' energy: -160.947 flat angles P-C4'-P energy: -116.732 tors. eta vs tors. theta energy: -199.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2311.555222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.555222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.555222 (E_RNA) where: Base-Base interactions energy: -1586.200 where: short stacking energy: -648.905 Base-Backbone interact. energy: -0.105 local terms energy: -725.250086 where: bonds (distance) C4'-P energy: -125.791 bonds (distance) P-C4' energy: -149.574 flat angles C4'-P-C4' energy: -155.685 flat angles P-C4'-P energy: -100.259 tors. eta vs tors. theta energy: -193.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2063.743918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.743918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.743918 (E_RNA) where: Base-Base interactions energy: -1364.206 where: short stacking energy: -580.144 Base-Backbone interact. energy: 0.645 local terms energy: -700.182615 where: bonds (distance) C4'-P energy: -138.770 bonds (distance) P-C4' energy: -160.801 flat angles C4'-P-C4' energy: -146.609 flat angles P-C4'-P energy: -106.888 tors. eta vs tors. theta energy: -147.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1891.820235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.820235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.820235 (E_RNA) where: Base-Base interactions energy: -1255.433 where: short stacking energy: -520.983 Base-Backbone interact. energy: 1.264 local terms energy: -637.651441 where: bonds (distance) C4'-P energy: -121.256 bonds (distance) P-C4' energy: -148.073 flat angles C4'-P-C4' energy: -139.404 flat angles P-C4'-P energy: -86.521 tors. eta vs tors. theta energy: -142.398 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: 1 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1728.191903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.191903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.191903 (E_RNA) where: Base-Base interactions energy: -1148.115 where: short stacking energy: -498.097 Base-Backbone interact. energy: 3.456 local terms energy: -583.532780 where: bonds (distance) C4'-P energy: -116.487 bonds (distance) P-C4' energy: -130.069 flat angles C4'-P-C4' energy: -134.377 flat angles P-C4'-P energy: -88.918 tors. eta vs tors. theta energy: -113.681 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: 6 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1311.631858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.631858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.631858 (E_RNA) where: Base-Base interactions energy: -794.602 where: short stacking energy: -370.195 Base-Backbone interact. energy: 2.112 local terms energy: -519.142360 where: bonds (distance) C4'-P energy: -128.762 bonds (distance) P-C4' energy: -125.302 flat angles C4'-P-C4' energy: -109.716 flat angles P-C4'-P energy: -67.143 tors. eta vs tors. theta energy: -88.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -1056.663294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.663294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.663294 (E_RNA) where: Base-Base interactions energy: -599.079 where: short stacking energy: -312.591 Base-Backbone interact. energy: 0.986 local terms energy: -458.570140 where: bonds (distance) C4'-P energy: -111.450 bonds (distance) P-C4' energy: -142.230 flat angles C4'-P-C4' energy: -112.709 flat angles P-C4'-P energy: -55.520 tors. eta vs tors. theta energy: -36.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -721.468549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.468549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.468549 (E_RNA) where: Base-Base interactions energy: -312.841 where: short stacking energy: -189.437 Base-Backbone interact. energy: 6.766 local terms energy: -415.393600 where: bonds (distance) C4'-P energy: -132.457 bonds (distance) P-C4' energy: -139.465 flat angles C4'-P-C4' energy: -94.167 flat angles P-C4'-P energy: -67.486 tors. eta vs tors. theta energy: 18.182 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: 3 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -2612.613621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.613621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.613621 (E_RNA) where: Base-Base interactions energy: -1781.332 where: short stacking energy: -763.435 Base-Backbone interact. energy: -2.866 local terms energy: -828.415134 where: bonds (distance) C4'-P energy: -140.091 bonds (distance) P-C4' energy: -163.410 flat angles C4'-P-C4' energy: -165.768 flat angles P-C4'-P energy: -122.955 tors. eta vs tors. theta energy: -236.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2447.410260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.410260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.410260 (E_RNA) where: Base-Base interactions energy: -1673.296 where: short stacking energy: -720.646 Base-Backbone interact. energy: -4.175 local terms energy: -769.939364 where: bonds (distance) C4'-P energy: -138.282 bonds (distance) P-C4' energy: -157.987 flat angles C4'-P-C4' energy: -154.528 flat angles P-C4'-P energy: -105.381 tors. eta vs tors. theta energy: -213.761 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: 430 Temperature: 1.000000 Total energy: -2413.788367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.788367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.788367 (E_RNA) where: Base-Base interactions energy: -1691.673 where: short stacking energy: -738.355 Base-Backbone interact. energy: 4.766 local terms energy: -726.881369 where: bonds (distance) C4'-P energy: -129.558 bonds (distance) P-C4' energy: -138.550 flat angles C4'-P-C4' energy: -155.863 flat angles P-C4'-P energy: -102.654 tors. eta vs tors. theta energy: -200.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2291.531778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.531778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.531778 (E_RNA) where: Base-Base interactions energy: -1572.050 where: short stacking energy: -663.060 Base-Backbone interact. energy: 0.544 local terms energy: -720.025626 where: bonds (distance) C4'-P energy: -130.695 bonds (distance) P-C4' energy: -146.615 flat angles C4'-P-C4' energy: -156.613 flat angles P-C4'-P energy: -101.120 tors. eta vs tors. theta energy: -184.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2013.241121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.241121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.241121 (E_RNA) where: Base-Base interactions energy: -1378.979 where: short stacking energy: -578.776 Base-Backbone interact. energy: -2.570 local terms energy: -631.691467 where: bonds (distance) C4'-P energy: -109.644 bonds (distance) P-C4' energy: -129.821 flat angles C4'-P-C4' energy: -150.864 flat angles P-C4'-P energy: -101.434 tors. eta vs tors. theta energy: -139.929 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: 4 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1878.083289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.083289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.083289 (E_RNA) where: Base-Base interactions energy: -1237.008 where: short stacking energy: -515.406 Base-Backbone interact. energy: -4.366 local terms energy: -636.709771 where: bonds (distance) C4'-P energy: -136.923 bonds (distance) P-C4' energy: -127.779 flat angles C4'-P-C4' energy: -155.405 flat angles P-C4'-P energy: -86.800 tors. eta vs tors. theta energy: -129.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1730.324757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.324757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.324757 (E_RNA) where: Base-Base interactions energy: -1177.587 where: short stacking energy: -496.628 Base-Backbone interact. energy: -2.123 local terms energy: -550.615023 where: bonds (distance) C4'-P energy: -103.612 bonds (distance) P-C4' energy: -130.398 flat angles C4'-P-C4' energy: -136.460 flat angles P-C4'-P energy: -68.927 tors. eta vs tors. theta energy: -111.218 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: 6 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1329.192253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.192253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.192253 (E_RNA) where: Base-Base interactions energy: -830.302 where: short stacking energy: -381.715 Base-Backbone interact. energy: -1.411 local terms energy: -497.479266 where: bonds (distance) C4'-P energy: -111.798 bonds (distance) P-C4' energy: -127.699 flat angles C4'-P-C4' energy: -131.689 flat angles P-C4'-P energy: -59.174 tors. eta vs tors. theta energy: -67.119 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: 5 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -1132.237889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.237889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.237889 (E_RNA) where: Base-Base interactions energy: -666.556 where: short stacking energy: -346.864 Base-Backbone interact. energy: 0.478 local terms energy: -466.159174 where: bonds (distance) C4'-P energy: -89.257 bonds (distance) P-C4' energy: -124.189 flat angles C4'-P-C4' energy: -113.576 flat angles P-C4'-P energy: -76.733 tors. eta vs tors. theta energy: -62.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -777.802816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.802816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.802816 (E_RNA) where: Base-Base interactions energy: -411.489 where: short stacking energy: -246.975 Base-Backbone interact. energy: 0.248 local terms energy: -366.562048 where: bonds (distance) C4'-P energy: -90.578 bonds (distance) P-C4' energy: -115.784 flat angles C4'-P-C4' energy: -104.322 flat angles P-C4'-P energy: -53.828 tors. eta vs tors. theta energy: -2.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -2591.962756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.962756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.962756 (E_RNA) where: Base-Base interactions energy: -1763.492 where: short stacking energy: -758.924 Base-Backbone interact. energy: 5.000 local terms energy: -833.470669 where: bonds (distance) C4'-P energy: -144.007 bonds (distance) P-C4' energy: -158.809 flat angles C4'-P-C4' energy: -180.912 flat angles P-C4'-P energy: -112.553 tors. eta vs tors. theta energy: -237.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2467.389840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.389840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.389840 (E_RNA) where: Base-Base interactions energy: -1675.597 where: short stacking energy: -705.293 Base-Backbone interact. energy: -2.461 local terms energy: -789.331293 where: bonds (distance) C4'-P energy: -154.254 bonds (distance) P-C4' energy: -142.699 flat angles C4'-P-C4' energy: -173.062 flat angles P-C4'-P energy: -105.274 tors. eta vs tors. theta energy: -214.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2401.069611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.069611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.069611 (E_RNA) where: Base-Base interactions energy: -1640.589 where: short stacking energy: -692.206 Base-Backbone interact. energy: -3.552 local terms energy: -756.929027 where: bonds (distance) C4'-P energy: -146.906 bonds (distance) P-C4' energy: -149.263 flat angles C4'-P-C4' energy: -163.260 flat angles P-C4'-P energy: -104.038 tors. eta vs tors. theta energy: -193.463 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: 9 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2277.634086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.634086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.634086 (E_RNA) where: Base-Base interactions energy: -1551.092 where: short stacking energy: -667.685 Base-Backbone interact. energy: 1.408 local terms energy: -727.950184 where: bonds (distance) C4'-P energy: -128.939 bonds (distance) P-C4' energy: -145.710 flat angles C4'-P-C4' energy: -164.298 flat angles P-C4'-P energy: -99.875 tors. eta vs tors. theta energy: -189.129 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: 8 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2017.903438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.903438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.903438 (E_RNA) where: Base-Base interactions energy: -1340.352 where: short stacking energy: -566.367 Base-Backbone interact. energy: -2.994 local terms energy: -674.557428 where: bonds (distance) C4'-P energy: -136.835 bonds (distance) P-C4' energy: -141.277 flat angles C4'-P-C4' energy: -153.796 flat angles P-C4'-P energy: -92.442 tors. eta vs tors. theta energy: -150.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1867.113817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.113817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.113817 (E_RNA) where: Base-Base interactions energy: -1243.502 where: short stacking energy: -544.468 Base-Backbone interact. energy: 1.557 local terms energy: -625.168972 where: bonds (distance) C4'-P energy: -117.425 bonds (distance) P-C4' energy: -132.412 flat angles C4'-P-C4' energy: -144.092 flat angles P-C4'-P energy: -92.326 tors. eta vs tors. theta energy: -138.913 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: 1 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1742.442745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.442745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.442745 (E_RNA) where: Base-Base interactions energy: -1146.503 where: short stacking energy: -484.263 Base-Backbone interact. energy: -0.502 local terms energy: -595.898522 where: bonds (distance) C4'-P energy: -130.254 bonds (distance) P-C4' energy: -131.327 flat angles C4'-P-C4' energy: -140.792 flat angles P-C4'-P energy: -74.936 tors. eta vs tors. theta energy: -118.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.461 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1292.255459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.255459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.255459 (E_RNA) where: Base-Base interactions energy: -807.686 where: short stacking energy: -402.381 Base-Backbone interact. energy: -2.736 local terms energy: -481.832703 where: bonds (distance) C4'-P energy: -113.674 bonds (distance) P-C4' energy: -119.559 flat angles C4'-P-C4' energy: -125.693 flat angles P-C4'-P energy: -57.820 tors. eta vs tors. theta energy: -65.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -1047.708818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.708818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.708818 (E_RNA) where: Base-Base interactions energy: -590.832 where: short stacking energy: -312.549 Base-Backbone interact. energy: -2.798 local terms energy: -454.079687 where: bonds (distance) C4'-P energy: -124.841 bonds (distance) P-C4' energy: -115.213 flat angles C4'-P-C4' energy: -117.853 flat angles P-C4'-P energy: -78.091 tors. eta vs tors. theta energy: -18.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -774.104358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.104358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.104358 (E_RNA) where: Base-Base interactions energy: -370.761 where: short stacking energy: -217.525 Base-Backbone interact. energy: 1.945 local terms energy: -405.287663 where: bonds (distance) C4'-P energy: -123.803 bonds (distance) P-C4' energy: -126.591 flat angles C4'-P-C4' energy: -94.216 flat angles P-C4'-P energy: -58.714 tors. eta vs tors. theta energy: -1.964 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: 3 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -2576.171574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.171574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.171574 (E_RNA) where: Base-Base interactions energy: -1745.266 where: short stacking energy: -757.203 Base-Backbone interact. energy: -1.598 local terms energy: -829.307853 where: bonds (distance) C4'-P energy: -150.026 bonds (distance) P-C4' energy: -162.486 flat angles C4'-P-C4' energy: -169.692 flat angles P-C4'-P energy: -118.445 tors. eta vs tors. theta energy: -228.658 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: 2, replica: 2 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -2446.705043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.705043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.705043 (E_RNA) where: Base-Base interactions energy: -1682.302 where: short stacking energy: -737.597 Base-Backbone interact. energy: -0.426 local terms energy: -763.977582 where: bonds (distance) C4'-P energy: -147.735 bonds (distance) P-C4' energy: -131.853 flat angles C4'-P-C4' energy: -162.997 flat angles P-C4'-P energy: -102.256 tors. eta vs tors. theta energy: -219.137 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: 432 Temperature: 1.000000 Total energy: -2456.555676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.555676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.555676 (E_RNA) where: Base-Base interactions energy: -1693.793 where: short stacking energy: -736.167 Base-Backbone interact. energy: -2.302 local terms energy: -760.460663 where: bonds (distance) C4'-P energy: -140.991 bonds (distance) P-C4' energy: -126.913 flat angles C4'-P-C4' energy: -168.396 flat angles P-C4'-P energy: -108.957 tors. eta vs tors. theta energy: -215.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2250.277636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.277636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.277636 (E_RNA) where: Base-Base interactions energy: -1554.055 where: short stacking energy: -658.694 Base-Backbone interact. energy: -1.830 local terms energy: -694.391903 where: bonds (distance) C4'-P energy: -121.689 bonds (distance) P-C4' energy: -126.711 flat angles C4'-P-C4' energy: -162.279 flat angles P-C4'-P energy: -93.100 tors. eta vs tors. theta energy: -190.614 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: 8 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -2078.027338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.027338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.027338 (E_RNA) where: Base-Base interactions energy: -1415.222 where: short stacking energy: -572.617 Base-Backbone interact. energy: 3.234 local terms energy: -666.795039 where: bonds (distance) C4'-P energy: -117.561 bonds (distance) P-C4' energy: -138.080 flat angles C4'-P-C4' energy: -162.318 flat angles P-C4'-P energy: -96.535 tors. eta vs tors. theta energy: -152.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.755 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1888.835303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.835303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.835303 (E_RNA) where: Base-Base interactions energy: -1270.962 where: short stacking energy: -553.016 Base-Backbone interact. energy: -3.666 local terms energy: -614.207318 where: bonds (distance) C4'-P energy: -126.361 bonds (distance) P-C4' energy: -122.294 flat angles C4'-P-C4' energy: -155.874 flat angles P-C4'-P energy: -93.565 tors. eta vs tors. theta energy: -116.113 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: 1 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1807.025724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.025724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.025724 (E_RNA) where: Base-Base interactions energy: -1192.573 where: short stacking energy: -524.386 Base-Backbone interact. energy: -0.504 local terms energy: -614.086451 where: bonds (distance) C4'-P energy: -130.200 bonds (distance) P-C4' energy: -132.877 flat angles C4'-P-C4' energy: -135.267 flat angles P-C4'-P energy: -86.435 tors. eta vs tors. theta energy: -129.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.139 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1300.408490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.408490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.408490 (E_RNA) where: Base-Base interactions energy: -806.274 where: short stacking energy: -369.229 Base-Backbone interact. energy: -1.669 local terms energy: -492.466042 where: bonds (distance) C4'-P energy: -121.139 bonds (distance) P-C4' energy: -125.939 flat angles C4'-P-C4' energy: -118.880 flat angles P-C4'-P energy: -59.332 tors. eta vs tors. theta energy: -67.176 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: 5 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -1063.429207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.429207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.429207 (E_RNA) where: Base-Base interactions energy: -624.626 where: short stacking energy: -319.460 Base-Backbone interact. energy: 1.238 local terms energy: -440.040724 where: bonds (distance) C4'-P energy: -128.257 bonds (distance) P-C4' energy: -83.579 flat angles C4'-P-C4' energy: -117.221 flat angles P-C4'-P energy: -70.765 tors. eta vs tors. theta energy: -40.218 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: 10, replica: 10 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -769.114580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.114580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.114580 (E_RNA) where: Base-Base interactions energy: -342.760 where: short stacking energy: -222.190 Base-Backbone interact. energy: 0.965 local terms energy: -427.692795 where: bonds (distance) C4'-P energy: -113.479 bonds (distance) P-C4' energy: -129.607 flat angles C4'-P-C4' energy: -101.388 flat angles P-C4'-P energy: -71.140 tors. eta vs tors. theta energy: -12.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.374 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -2583.451624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.451624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.451624 (E_RNA) where: Base-Base interactions energy: -1776.941 where: short stacking energy: -782.585 Base-Backbone interact. energy: -2.126 local terms energy: -804.384230 where: bonds (distance) C4'-P energy: -142.969 bonds (distance) P-C4' energy: -141.790 flat angles C4'-P-C4' energy: -172.934 flat angles P-C4'-P energy: -106.743 tors. eta vs tors. theta energy: -239.948 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: 2, replica: 7 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -2500.342537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.342537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.342537 (E_RNA) where: Base-Base interactions energy: -1711.222 where: short stacking energy: -744.911 Base-Backbone interact. energy: -2.911 local terms energy: -786.209810 where: bonds (distance) C4'-P energy: -150.022 bonds (distance) P-C4' energy: -144.388 flat angles C4'-P-C4' energy: -168.115 flat angles P-C4'-P energy: -111.266 tors. eta vs tors. theta energy: -212.419 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: 3, replica: 2 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2382.119133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.119133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.119133 (E_RNA) where: Base-Base interactions energy: -1644.515 where: short stacking energy: -702.109 Base-Backbone interact. energy: 1.162 local terms energy: -738.765505 where: bonds (distance) C4'-P energy: -145.261 bonds (distance) P-C4' energy: -149.876 flat angles C4'-P-C4' energy: -155.697 flat angles P-C4'-P energy: -87.380 tors. eta vs tors. theta energy: -200.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2254.841238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.841238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.841238 (E_RNA) where: Base-Base interactions energy: -1522.092 where: short stacking energy: -683.715 Base-Backbone interact. energy: -3.716 local terms energy: -729.033080 where: bonds (distance) C4'-P energy: -143.329 bonds (distance) P-C4' energy: -145.848 flat angles C4'-P-C4' energy: -143.808 flat angles P-C4'-P energy: -115.455 tors. eta vs tors. theta energy: -180.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -2016.043402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.043402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.043402 (E_RNA) where: Base-Base interactions energy: -1390.744 where: short stacking energy: -588.338 Base-Backbone interact. energy: -3.217 local terms energy: -622.083017 where: bonds (distance) C4'-P energy: -125.373 bonds (distance) P-C4' energy: -125.263 flat angles C4'-P-C4' energy: -142.456 flat angles P-C4'-P energy: -87.511 tors. eta vs tors. theta energy: -141.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1884.581180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.581180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.581180 (E_RNA) where: Base-Base interactions energy: -1289.250 where: short stacking energy: -538.241 Base-Backbone interact. energy: -0.650 local terms energy: -594.681534 where: bonds (distance) C4'-P energy: -121.601 bonds (distance) P-C4' energy: -143.173 flat angles C4'-P-C4' energy: -124.383 flat angles P-C4'-P energy: -84.096 tors. eta vs tors. theta energy: -121.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1838.910030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.910030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.910030 (E_RNA) where: Base-Base interactions energy: -1224.007 where: short stacking energy: -565.169 Base-Backbone interact. energy: 4.685 local terms energy: -619.587602 where: bonds (distance) C4'-P energy: -118.143 bonds (distance) P-C4' energy: -128.850 flat angles C4'-P-C4' energy: -139.666 flat angles P-C4'-P energy: -83.481 tors. eta vs tors. theta energy: -149.447 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: 6 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1224.021772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.021772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.021772 (E_RNA) where: Base-Base interactions energy: -758.893 where: short stacking energy: -356.764 Base-Backbone interact. energy: -2.857 local terms energy: -462.271369 where: bonds (distance) C4'-P energy: -119.872 bonds (distance) P-C4' energy: -129.320 flat angles C4'-P-C4' energy: -89.676 flat angles P-C4'-P energy: -72.273 tors. eta vs tors. theta energy: -51.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -1171.386529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.386529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.386529 (E_RNA) where: Base-Base interactions energy: -707.328 where: short stacking energy: -371.326 Base-Backbone interact. energy: -2.839 local terms energy: -461.219138 where: bonds (distance) C4'-P energy: -99.460 bonds (distance) P-C4' energy: -134.028 flat angles C4'-P-C4' energy: -119.337 flat angles P-C4'-P energy: -61.234 tors. eta vs tors. theta energy: -47.162 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: 10, replica: 10 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -780.788998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.788998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.788998 (E_RNA) where: Base-Base interactions energy: -391.138 where: short stacking energy: -246.411 Base-Backbone interact. energy: 5.428 local terms energy: -395.079057 where: bonds (distance) C4'-P energy: -102.564 bonds (distance) P-C4' energy: -121.708 flat angles C4'-P-C4' energy: -93.418 flat angles P-C4'-P energy: -75.191 tors. eta vs tors. theta energy: -2.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -2620.601810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.601810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.601810 (E_RNA) where: Base-Base interactions energy: -1808.877 where: short stacking energy: -774.424 Base-Backbone interact. energy: -0.882 local terms energy: -810.843207 where: bonds (distance) C4'-P energy: -142.671 bonds (distance) P-C4' energy: -153.245 flat angles C4'-P-C4' energy: -171.830 flat angles P-C4'-P energy: -108.214 tors. eta vs tors. theta energy: -234.884 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: 7 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -2487.458891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.458891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.458891 (E_RNA) where: Base-Base interactions energy: -1701.039 where: short stacking energy: -727.716 Base-Backbone interact. energy: -2.503 local terms energy: -783.916391 where: bonds (distance) C4'-P energy: -147.008 bonds (distance) P-C4' energy: -143.724 flat angles C4'-P-C4' energy: -164.565 flat angles P-C4'-P energy: -108.907 tors. eta vs tors. theta energy: -219.712 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: 3, replica: 2 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2378.480506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.480506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.480506 (E_RNA) where: Base-Base interactions energy: -1645.580 where: short stacking energy: -707.609 Base-Backbone interact. energy: -2.096 local terms energy: -730.804570 where: bonds (distance) C4'-P energy: -128.831 bonds (distance) P-C4' energy: -134.157 flat angles C4'-P-C4' energy: -155.600 flat angles P-C4'-P energy: -108.276 tors. eta vs tors. theta energy: -203.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2276.245522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.245522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.245522 (E_RNA) where: Base-Base interactions energy: -1584.173 where: short stacking energy: -646.666 Base-Backbone interact. energy: -1.668 local terms energy: -690.404557 where: bonds (distance) C4'-P energy: -131.000 bonds (distance) P-C4' energy: -132.838 flat angles C4'-P-C4' energy: -152.877 flat angles P-C4'-P energy: -92.090 tors. eta vs tors. theta energy: -181.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2054.290466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.290466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.290466 (E_RNA) where: Base-Base interactions energy: -1382.141 where: short stacking energy: -592.496 Base-Backbone interact. energy: -0.851 local terms energy: -671.298565 where: bonds (distance) C4'-P energy: -137.481 bonds (distance) P-C4' energy: -149.467 flat angles C4'-P-C4' energy: -160.475 flat angles P-C4'-P energy: -80.208 tors. eta vs tors. theta energy: -143.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1927.552799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.552799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.552799 (E_RNA) where: Base-Base interactions energy: -1282.767 where: short stacking energy: -555.868 Base-Backbone interact. energy: -3.111 local terms energy: -641.675390 where: bonds (distance) C4'-P energy: -128.686 bonds (distance) P-C4' energy: -138.932 flat angles C4'-P-C4' energy: -144.347 flat angles P-C4'-P energy: -81.894 tors. eta vs tors. theta energy: -147.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1734.666385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.666385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.666385 (E_RNA) where: Base-Base interactions energy: -1150.374 where: short stacking energy: -491.778 Base-Backbone interact. energy: -0.624 local terms energy: -583.668554 where: bonds (distance) C4'-P energy: -118.828 bonds (distance) P-C4' energy: -126.404 flat angles C4'-P-C4' energy: -146.527 flat angles P-C4'-P energy: -86.881 tors. eta vs tors. theta energy: -105.028 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: 6 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1256.404210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.404210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.404210 (E_RNA) where: Base-Base interactions energy: -742.430 where: short stacking energy: -361.294 Base-Backbone interact. energy: 0.881 local terms energy: -514.856018 where: bonds (distance) C4'-P energy: -122.058 bonds (distance) P-C4' energy: -127.833 flat angles C4'-P-C4' energy: -127.726 flat angles P-C4'-P energy: -83.747 tors. eta vs tors. theta energy: -53.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1221.569879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.569879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.569879 (E_RNA) where: Base-Base interactions energy: -731.923 where: short stacking energy: -321.504 Base-Backbone interact. energy: 8.649 local terms energy: -498.296235 where: bonds (distance) C4'-P energy: -119.783 bonds (distance) P-C4' energy: -142.760 flat angles C4'-P-C4' energy: -119.024 flat angles P-C4'-P energy: -67.223 tors. eta vs tors. theta energy: -49.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -764.374231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.374231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.374231 (E_RNA) where: Base-Base interactions energy: -335.210 where: short stacking energy: -232.736 Base-Backbone interact. energy: -2.312 local terms energy: -426.852959 where: bonds (distance) C4'-P energy: -123.485 bonds (distance) P-C4' energy: -124.426 flat angles C4'-P-C4' energy: -99.208 flat angles P-C4'-P energy: -67.433 tors. eta vs tors. theta energy: -12.301 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: 3 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -2606.271518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.271518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.271518 (E_RNA) where: Base-Base interactions energy: -1782.810 where: short stacking energy: -762.303 Base-Backbone interact. energy: -1.903 local terms energy: -821.557973 where: bonds (distance) C4'-P energy: -141.298 bonds (distance) P-C4' energy: -141.037 flat angles C4'-P-C4' energy: -168.327 flat angles P-C4'-P energy: -129.418 tors. eta vs tors. theta energy: -241.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -2515.576295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.576295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.576295 (E_RNA) where: Base-Base interactions energy: -1715.203 where: short stacking energy: -757.030 Base-Backbone interact. energy: -0.778 local terms energy: -799.595385 where: bonds (distance) C4'-P energy: -129.325 bonds (distance) P-C4' energy: -165.725 flat angles C4'-P-C4' energy: -163.048 flat angles P-C4'-P energy: -119.455 tors. eta vs tors. theta energy: -222.042 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: 3, replica: 2 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2348.922910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.922910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.922910 (E_RNA) where: Base-Base interactions energy: -1612.425 where: short stacking energy: -675.311 Base-Backbone interact. energy: -4.052 local terms energy: -732.446122 where: bonds (distance) C4'-P energy: -140.079 bonds (distance) P-C4' energy: -145.157 flat angles C4'-P-C4' energy: -156.440 flat angles P-C4'-P energy: -106.034 tors. eta vs tors. theta energy: -184.735 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: 9 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2286.866069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.866069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.866069 (E_RNA) where: Base-Base interactions energy: -1580.172 where: short stacking energy: -660.794 Base-Backbone interact. energy: -3.863 local terms energy: -702.830323 where: bonds (distance) C4'-P energy: -128.457 bonds (distance) P-C4' energy: -126.167 flat angles C4'-P-C4' energy: -157.166 flat angles P-C4'-P energy: -100.266 tors. eta vs tors. theta energy: -190.773 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: 5, replica: 8 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2091.684315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.684315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.684315 (E_RNA) where: Base-Base interactions energy: -1414.731 where: short stacking energy: -574.906 Base-Backbone interact. energy: -2.041 local terms energy: -674.912261 where: bonds (distance) C4'-P energy: -149.809 bonds (distance) P-C4' energy: -129.128 flat angles C4'-P-C4' energy: -146.753 flat angles P-C4'-P energy: -90.056 tors. eta vs tors. theta energy: -159.167 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: 4 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1942.008084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.008084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.008084 (E_RNA) where: Base-Base interactions energy: -1305.541 where: short stacking energy: -563.483 Base-Backbone interact. energy: 1.665 local terms energy: -638.132826 where: bonds (distance) C4'-P energy: -113.648 bonds (distance) P-C4' energy: -134.956 flat angles C4'-P-C4' energy: -140.919 flat angles P-C4'-P energy: -97.995 tors. eta vs tors. theta energy: -150.615 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: 1 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1722.096269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.096269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.096269 (E_RNA) where: Base-Base interactions energy: -1148.479 where: short stacking energy: -496.877 Base-Backbone interact. energy: -1.110 local terms energy: -572.507609 where: bonds (distance) C4'-P energy: -129.084 bonds (distance) P-C4' energy: -136.770 flat angles C4'-P-C4' energy: -113.035 flat angles P-C4'-P energy: -74.566 tors. eta vs tors. theta energy: -119.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1164.594866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.594866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.594866 (E_RNA) where: Base-Base interactions energy: -687.766 where: short stacking energy: -310.985 Base-Backbone interact. energy: -2.264 local terms energy: -474.564995 where: bonds (distance) C4'-P energy: -117.234 bonds (distance) P-C4' energy: -132.600 flat angles C4'-P-C4' energy: -106.603 flat angles P-C4'-P energy: -90.110 tors. eta vs tors. theta energy: -28.017 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: 6 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1189.676999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.676999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.676999 (E_RNA) where: Base-Base interactions energy: -684.236 where: short stacking energy: -331.750 Base-Backbone interact. energy: 0.143 local terms energy: -505.583481 where: bonds (distance) C4'-P energy: -126.837 bonds (distance) P-C4' energy: -124.838 flat angles C4'-P-C4' energy: -127.333 flat angles P-C4'-P energy: -83.343 tors. eta vs tors. theta energy: -43.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -772.488405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.488405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.488405 (E_RNA) where: Base-Base interactions energy: -351.483 where: short stacking energy: -190.710 Base-Backbone interact. energy: -0.053 local terms energy: -420.952236 where: bonds (distance) C4'-P energy: -131.448 bonds (distance) P-C4' energy: -137.029 flat angles C4'-P-C4' energy: -109.287 flat angles P-C4'-P energy: -51.383 tors. eta vs tors. theta energy: 8.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -2604.989483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.989483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.989483 (E_RNA) where: Base-Base interactions energy: -1786.595 where: short stacking energy: -761.862 Base-Backbone interact. energy: -2.702 local terms energy: -815.693147 where: bonds (distance) C4'-P energy: -148.543 bonds (distance) P-C4' energy: -158.654 flat angles C4'-P-C4' energy: -168.272 flat angles P-C4'-P energy: -108.161 tors. eta vs tors. theta energy: -232.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -2507.542017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.542017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.542017 (E_RNA) where: Base-Base interactions energy: -1733.578 where: short stacking energy: -723.386 Base-Backbone interact. energy: -3.764 local terms energy: -770.200280 where: bonds (distance) C4'-P energy: -142.827 bonds (distance) P-C4' energy: -146.194 flat angles C4'-P-C4' energy: -162.571 flat angles P-C4'-P energy: -111.513 tors. eta vs tors. theta energy: -207.095 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: 436 Temperature: 1.000000 Total energy: -2343.843948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.843948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.843948 (E_RNA) where: Base-Base interactions energy: -1598.697 where: short stacking energy: -654.414 Base-Backbone interact. energy: -3.613 local terms energy: -741.533610 where: bonds (distance) C4'-P energy: -140.923 bonds (distance) P-C4' energy: -148.689 flat angles C4'-P-C4' energy: -154.474 flat angles P-C4'-P energy: -114.297 tors. eta vs tors. theta energy: -183.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2323.170228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.170228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.170228 (E_RNA) where: Base-Base interactions energy: -1606.046 where: short stacking energy: -679.166 Base-Backbone interact. energy: -0.513 local terms energy: -716.610964 where: bonds (distance) C4'-P energy: -140.532 bonds (distance) P-C4' energy: -129.447 flat angles C4'-P-C4' energy: -166.592 flat angles P-C4'-P energy: -103.058 tors. eta vs tors. theta energy: -176.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2173.350700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.350700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.350700 (E_RNA) where: Base-Base interactions energy: -1497.150 where: short stacking energy: -628.204 Base-Backbone interact. energy: -3.572 local terms energy: -672.628813 where: bonds (distance) C4'-P energy: -132.074 bonds (distance) P-C4' energy: -147.347 flat angles C4'-P-C4' energy: -132.647 flat angles P-C4'-P energy: -97.501 tors. eta vs tors. theta energy: -163.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1879.159327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.159327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.159327 (E_RNA) where: Base-Base interactions energy: -1267.686 where: short stacking energy: -544.463 Base-Backbone interact. energy: -0.712 local terms energy: -610.761948 where: bonds (distance) C4'-P energy: -111.304 bonds (distance) P-C4' energy: -137.782 flat angles C4'-P-C4' energy: -146.911 flat angles P-C4'-P energy: -94.906 tors. eta vs tors. theta energy: -119.859 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: 436 Temperature: 1.200000 Total energy: -1801.361825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.361825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.361825 (E_RNA) where: Base-Base interactions energy: -1186.944 where: short stacking energy: -530.150 Base-Backbone interact. energy: -1.382 local terms energy: -613.035810 where: bonds (distance) C4'-P energy: -140.668 bonds (distance) P-C4' energy: -136.316 flat angles C4'-P-C4' energy: -125.633 flat angles P-C4'-P energy: -82.885 tors. eta vs tors. theta energy: -127.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1307.641395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.641395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.641395 (E_RNA) where: Base-Base interactions energy: -819.106 where: short stacking energy: -385.172 Base-Backbone interact. energy: 1.475 local terms energy: -490.010413 where: bonds (distance) C4'-P energy: -108.197 bonds (distance) P-C4' energy: -115.709 flat angles C4'-P-C4' energy: -114.765 flat angles P-C4'-P energy: -76.658 tors. eta vs tors. theta energy: -74.683 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: 6 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -1209.019376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.019376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.019376 (E_RNA) where: Base-Base interactions energy: -720.157 where: short stacking energy: -333.724 Base-Backbone interact. energy: 2.959 local terms energy: -491.820881 where: bonds (distance) C4'-P energy: -118.100 bonds (distance) P-C4' energy: -147.814 flat angles C4'-P-C4' energy: -122.631 flat angles P-C4'-P energy: -65.472 tors. eta vs tors. theta energy: -37.803 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: 10 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -676.202972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.202972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.202972 (E_RNA) where: Base-Base interactions energy: -283.237 where: short stacking energy: -176.632 Base-Backbone interact. energy: 0.595 local terms energy: -393.560800 where: bonds (distance) C4'-P energy: -121.560 bonds (distance) P-C4' energy: -115.691 flat angles C4'-P-C4' energy: -117.078 flat angles P-C4'-P energy: -62.246 tors. eta vs tors. theta energy: 23.014 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: 3 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -2627.843346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.843346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.843346 (E_RNA) where: Base-Base interactions energy: -1808.884 where: short stacking energy: -795.444 Base-Backbone interact. energy: -0.248 local terms energy: -818.711001 where: bonds (distance) C4'-P energy: -150.358 bonds (distance) P-C4' energy: -140.884 flat angles C4'-P-C4' energy: -175.370 flat angles P-C4'-P energy: -121.224 tors. eta vs tors. theta energy: -230.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2531.799070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.799070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.799070 (E_RNA) where: Base-Base interactions energy: -1745.752 where: short stacking energy: -743.407 Base-Backbone interact. energy: 1.351 local terms energy: -787.398431 where: bonds (distance) C4'-P energy: -156.836 bonds (distance) P-C4' energy: -139.801 flat angles C4'-P-C4' energy: -160.182 flat angles P-C4'-P energy: -121.444 tors. eta vs tors. theta energy: -209.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2354.031423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.031423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.031423 (E_RNA) where: Base-Base interactions energy: -1617.714 where: short stacking energy: -680.438 Base-Backbone interact. energy: -3.685 local terms energy: -732.632763 where: bonds (distance) C4'-P energy: -126.958 bonds (distance) P-C4' energy: -137.241 flat angles C4'-P-C4' energy: -157.716 flat angles P-C4'-P energy: -116.026 tors. eta vs tors. theta energy: -194.691 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: 9 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2327.078515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.078515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.078515 (E_RNA) where: Base-Base interactions energy: -1624.206 where: short stacking energy: -673.774 Base-Backbone interact. energy: -2.331 local terms energy: -700.541367 where: bonds (distance) C4'-P energy: -125.778 bonds (distance) P-C4' energy: -135.491 flat angles C4'-P-C4' energy: -161.092 flat angles P-C4'-P energy: -86.592 tors. eta vs tors. theta energy: -191.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2132.123529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.123529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.123529 (E_RNA) where: Base-Base interactions energy: -1433.611 where: short stacking energy: -608.207 Base-Backbone interact. energy: -3.686 local terms energy: -694.826576 where: bonds (distance) C4'-P energy: -136.934 bonds (distance) P-C4' energy: -142.665 flat angles C4'-P-C4' energy: -154.519 flat angles P-C4'-P energy: -93.542 tors. eta vs tors. theta energy: -167.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1930.595699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.595699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.595699 (E_RNA) where: Base-Base interactions energy: -1300.631 where: short stacking energy: -544.790 Base-Backbone interact. energy: -0.303 local terms energy: -629.661980 where: bonds (distance) C4'-P energy: -133.561 bonds (distance) P-C4' energy: -124.260 flat angles C4'-P-C4' energy: -147.547 flat angles P-C4'-P energy: -88.691 tors. eta vs tors. theta energy: -135.604 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: 7, replica: 1 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1763.715994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.715994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.715994 (E_RNA) where: Base-Base interactions energy: -1173.062 where: short stacking energy: -512.514 Base-Backbone interact. energy: 5.882 local terms energy: -596.536271 where: bonds (distance) C4'-P energy: -117.797 bonds (distance) P-C4' energy: -130.994 flat angles C4'-P-C4' energy: -145.244 flat angles P-C4'-P energy: -80.787 tors. eta vs tors. theta energy: -121.715 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: 8, replica: 5 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1312.544285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.544285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.544285 (E_RNA) where: Base-Base interactions energy: -784.368 where: short stacking energy: -379.364 Base-Backbone interact. energy: 1.655 local terms energy: -529.832027 where: bonds (distance) C4'-P energy: -123.801 bonds (distance) P-C4' energy: -131.752 flat angles C4'-P-C4' energy: -125.350 flat angles P-C4'-P energy: -72.442 tors. eta vs tors. theta energy: -76.487 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: 6 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1132.082439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.082439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.082439 (E_RNA) where: Base-Base interactions energy: -675.092 where: short stacking energy: -313.659 Base-Backbone interact. energy: 6.231 local terms energy: -463.220949 where: bonds (distance) C4'-P energy: -110.748 bonds (distance) P-C4' energy: -105.929 flat angles C4'-P-C4' energy: -137.628 flat angles P-C4'-P energy: -73.412 tors. eta vs tors. theta energy: -35.504 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: 10, replica: 10 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -678.258577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.258577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.258577 (E_RNA) where: Base-Base interactions energy: -303.079 where: short stacking energy: -200.297 Base-Backbone interact. energy: 1.177 local terms energy: -376.356967 where: bonds (distance) C4'-P energy: -121.673 bonds (distance) P-C4' energy: -104.140 flat angles C4'-P-C4' energy: -97.175 flat angles P-C4'-P energy: -69.168 tors. eta vs tors. theta energy: 15.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -2623.905053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.905053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.905053 (E_RNA) where: Base-Base interactions energy: -1783.237 where: short stacking energy: -772.429 Base-Backbone interact. energy: -0.972 local terms energy: -839.696006 where: bonds (distance) C4'-P energy: -153.356 bonds (distance) P-C4' energy: -152.240 flat angles C4'-P-C4' energy: -174.910 flat angles P-C4'-P energy: -110.863 tors. eta vs tors. theta energy: -248.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -2524.898923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.898923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.898923 (E_RNA) where: Base-Base interactions energy: -1764.729 where: short stacking energy: -727.523 Base-Backbone interact. energy: -2.881 local terms energy: -757.288973 where: bonds (distance) C4'-P energy: -159.060 bonds (distance) P-C4' energy: -137.703 flat angles C4'-P-C4' energy: -148.696 flat angles P-C4'-P energy: -107.454 tors. eta vs tors. theta energy: -204.376 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: 3, replica: 2 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2416.585634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.585634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.585634 (E_RNA) where: Base-Base interactions energy: -1669.881 where: short stacking energy: -706.472 Base-Backbone interact. energy: -1.912 local terms energy: -744.792292 where: bonds (distance) C4'-P energy: -129.540 bonds (distance) P-C4' energy: -149.480 flat angles C4'-P-C4' energy: -152.725 flat angles P-C4'-P energy: -102.005 tors. eta vs tors. theta energy: -211.041 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: 438 Temperature: 1.050000 Total energy: -2328.027290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.027290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.027290 (E_RNA) where: Base-Base interactions energy: -1569.796 where: short stacking energy: -690.597 Base-Backbone interact. energy: 0.228 local terms energy: -758.458996 where: bonds (distance) C4'-P energy: -145.213 bonds (distance) P-C4' energy: -134.002 flat angles C4'-P-C4' energy: -156.091 flat angles P-C4'-P energy: -111.005 tors. eta vs tors. theta energy: -212.148 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: 8 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2125.593903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.593903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.593903 (E_RNA) where: Base-Base interactions energy: -1436.566 where: short stacking energy: -613.838 Base-Backbone interact. energy: -0.294 local terms energy: -688.734364 where: bonds (distance) C4'-P energy: -143.399 bonds (distance) P-C4' energy: -127.792 flat angles C4'-P-C4' energy: -159.331 flat angles P-C4'-P energy: -98.863 tors. eta vs tors. theta energy: -159.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1899.486186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.486186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.486186 (E_RNA) where: Base-Base interactions energy: -1262.818 where: short stacking energy: -526.627 Base-Backbone interact. energy: -3.795 local terms energy: -632.873343 where: bonds (distance) C4'-P energy: -124.826 bonds (distance) P-C4' energy: -147.402 flat angles C4'-P-C4' energy: -137.486 flat angles P-C4'-P energy: -94.314 tors. eta vs tors. theta energy: -128.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1724.080503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.080503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.080503 (E_RNA) where: Base-Base interactions energy: -1158.395 where: short stacking energy: -511.766 Base-Backbone interact. energy: -1.675 local terms energy: -564.009721 where: bonds (distance) C4'-P energy: -100.543 bonds (distance) P-C4' energy: -133.902 flat angles C4'-P-C4' energy: -127.718 flat angles P-C4'-P energy: -85.374 tors. eta vs tors. theta energy: -116.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1352.177224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.177224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.177224 (E_RNA) where: Base-Base interactions energy: -844.408 where: short stacking energy: -364.833 Base-Backbone interact. energy: -2.967 local terms energy: -504.802146 where: bonds (distance) C4'-P energy: -105.324 bonds (distance) P-C4' energy: -126.374 flat angles C4'-P-C4' energy: -128.616 flat angles P-C4'-P energy: -83.316 tors. eta vs tors. theta energy: -61.173 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: 6 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -985.037364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.037364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.037364 (E_RNA) where: Base-Base interactions energy: -583.525 where: short stacking energy: -275.714 Base-Backbone interact. energy: 5.267 local terms energy: -406.778850 where: bonds (distance) C4'-P energy: -101.375 bonds (distance) P-C4' energy: -126.377 flat angles C4'-P-C4' energy: -95.885 flat angles P-C4'-P energy: -82.897 tors. eta vs tors. theta energy: -0.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -667.779735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.779735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.779735 (E_RNA) where: Base-Base interactions energy: -302.285 where: short stacking energy: -200.046 Base-Backbone interact. energy: 6.144 local terms energy: -371.638714 where: bonds (distance) C4'-P energy: -103.562 bonds (distance) P-C4' energy: -143.432 flat angles C4'-P-C4' energy: -97.400 flat angles P-C4'-P energy: -45.499 tors. eta vs tors. theta energy: 18.254 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: 3 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -2650.277923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.277923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.277923 (E_RNA) where: Base-Base interactions energy: -1810.286 where: short stacking energy: -768.416 Base-Backbone interact. energy: 0.641 local terms energy: -840.632598 where: bonds (distance) C4'-P energy: -148.657 bonds (distance) P-C4' energy: -161.383 flat angles C4'-P-C4' energy: -176.127 flat angles P-C4'-P energy: -115.007 tors. eta vs tors. theta energy: -239.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2481.325026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.325026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.325026 (E_RNA) where: Base-Base interactions energy: -1707.706 where: short stacking energy: -726.645 Base-Backbone interact. energy: -1.157 local terms energy: -772.461988 where: bonds (distance) C4'-P energy: -144.754 bonds (distance) P-C4' energy: -136.677 flat angles C4'-P-C4' energy: -163.209 flat angles P-C4'-P energy: -114.944 tors. eta vs tors. theta energy: -212.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2458.861808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.861808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.861808 (E_RNA) where: Base-Base interactions energy: -1685.532 where: short stacking energy: -719.230 Base-Backbone interact. energy: -1.671 local terms energy: -771.658415 where: bonds (distance) C4'-P energy: -146.413 bonds (distance) P-C4' energy: -140.037 flat angles C4'-P-C4' energy: -155.940 flat angles P-C4'-P energy: -108.752 tors. eta vs tors. theta energy: -220.517 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: 439 Temperature: 1.050000 Total energy: -2340.583364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.583364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.583364 (E_RNA) where: Base-Base interactions energy: -1617.406 where: short stacking energy: -691.946 Base-Backbone interact. energy: 2.050 local terms energy: -725.226722 where: bonds (distance) C4'-P energy: -136.907 bonds (distance) P-C4' energy: -126.025 flat angles C4'-P-C4' energy: -156.007 flat angles P-C4'-P energy: -101.224 tors. eta vs tors. theta energy: -205.064 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: 8 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2172.090944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.090944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.090944 (E_RNA) where: Base-Base interactions energy: -1520.391 where: short stacking energy: -644.408 Base-Backbone interact. energy: -3.452 local terms energy: -648.248127 where: bonds (distance) C4'-P energy: -115.321 bonds (distance) P-C4' energy: -105.604 flat angles C4'-P-C4' energy: -151.183 flat angles P-C4'-P energy: -107.776 tors. eta vs tors. theta energy: -168.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1938.476448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.476448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.476448 (E_RNA) where: Base-Base interactions energy: -1316.192 where: short stacking energy: -576.623 Base-Backbone interact. energy: 3.032 local terms energy: -625.316501 where: bonds (distance) C4'-P energy: -109.201 bonds (distance) P-C4' energy: -140.949 flat angles C4'-P-C4' energy: -144.242 flat angles P-C4'-P energy: -85.425 tors. eta vs tors. theta energy: -145.500 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: 4 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1809.357267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.357267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.357267 (E_RNA) where: Base-Base interactions energy: -1221.269 where: short stacking energy: -533.360 Base-Backbone interact. energy: -2.542 local terms energy: -585.546595 where: bonds (distance) C4'-P energy: -115.231 bonds (distance) P-C4' energy: -146.060 flat angles C4'-P-C4' energy: -122.908 flat angles P-C4'-P energy: -91.471 tors. eta vs tors. theta energy: -109.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1357.719791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.719791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.719791 (E_RNA) where: Base-Base interactions energy: -824.254 where: short stacking energy: -383.429 Base-Backbone interact. energy: -0.094 local terms energy: -533.372186 where: bonds (distance) C4'-P energy: -124.100 bonds (distance) P-C4' energy: -150.398 flat angles C4'-P-C4' energy: -111.829 flat angles P-C4'-P energy: -86.135 tors. eta vs tors. theta energy: -60.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -947.048904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.048904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.048904 (E_RNA) where: Base-Base interactions energy: -500.636 where: short stacking energy: -283.692 Base-Backbone interact. energy: 1.246 local terms energy: -447.659689 where: bonds (distance) C4'-P energy: -116.374 bonds (distance) P-C4' energy: -128.434 flat angles C4'-P-C4' energy: -99.031 flat angles P-C4'-P energy: -72.315 tors. eta vs tors. theta energy: -31.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -681.053357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.053357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.053357 (E_RNA) where: Base-Base interactions energy: -294.292 where: short stacking energy: -161.848 Base-Backbone interact. energy: -4.646 local terms energy: -382.115635 where: bonds (distance) C4'-P energy: -106.835 bonds (distance) P-C4' energy: -111.927 flat angles C4'-P-C4' energy: -109.904 flat angles P-C4'-P energy: -80.961 tors. eta vs tors. theta energy: 27.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -2624.348868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.348868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.348868 (E_RNA) where: Base-Base interactions energy: -1816.719 where: short stacking energy: -787.744 Base-Backbone interact. energy: -1.485 local terms energy: -806.145569 where: bonds (distance) C4'-P energy: -140.780 bonds (distance) P-C4' energy: -152.140 flat angles C4'-P-C4' energy: -160.507 flat angles P-C4'-P energy: -116.355 tors. eta vs tors. theta energy: -236.363 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: 2, replica: 2 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2467.125326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.125326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.125326 (E_RNA) where: Base-Base interactions energy: -1700.346 where: short stacking energy: -727.247 Base-Backbone interact. energy: -2.958 local terms energy: -763.820823 where: bonds (distance) C4'-P energy: -139.927 bonds (distance) P-C4' energy: -152.241 flat angles C4'-P-C4' energy: -158.081 flat angles P-C4'-P energy: -103.685 tors. eta vs tors. theta energy: -209.887 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: 440 Temperature: 1.000000 Total energy: -2440.707881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.707881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.707881 (E_RNA) where: Base-Base interactions energy: -1699.164 where: short stacking energy: -735.217 Base-Backbone interact. energy: -1.950 local terms energy: -739.593979 where: bonds (distance) C4'-P energy: -127.859 bonds (distance) P-C4' energy: -142.442 flat angles C4'-P-C4' energy: -161.841 flat angles P-C4'-P energy: -94.023 tors. eta vs tors. theta energy: -213.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2348.336196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.336196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.336196 (E_RNA) where: Base-Base interactions energy: -1629.412 where: short stacking energy: -709.689 Base-Backbone interact. energy: 0.389 local terms energy: -719.313505 where: bonds (distance) C4'-P energy: -129.011 bonds (distance) P-C4' energy: -122.565 flat angles C4'-P-C4' energy: -161.064 flat angles P-C4'-P energy: -101.901 tors. eta vs tors. theta energy: -204.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2139.363087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.363087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.363087 (E_RNA) where: Base-Base interactions energy: -1450.053 where: short stacking energy: -615.772 Base-Backbone interact. energy: -0.934 local terms energy: -688.375901 where: bonds (distance) C4'-P energy: -137.867 bonds (distance) P-C4' energy: -145.649 flat angles C4'-P-C4' energy: -150.189 flat angles P-C4'-P energy: -103.966 tors. eta vs tors. theta energy: -150.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -2026.105069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.105069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.105069 (E_RNA) where: Base-Base interactions energy: -1348.199 where: short stacking energy: -616.453 Base-Backbone interact. energy: -2.145 local terms energy: -675.761184 where: bonds (distance) C4'-P energy: -115.356 bonds (distance) P-C4' energy: -143.156 flat angles C4'-P-C4' energy: -146.726 flat angles P-C4'-P energy: -100.839 tors. eta vs tors. theta energy: -169.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1750.443008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.443008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.443008 (E_RNA) where: Base-Base interactions energy: -1154.026 where: short stacking energy: -521.721 Base-Backbone interact. energy: -3.428 local terms energy: -592.989211 where: bonds (distance) C4'-P energy: -105.501 bonds (distance) P-C4' energy: -129.788 flat angles C4'-P-C4' energy: -145.626 flat angles P-C4'-P energy: -88.045 tors. eta vs tors. theta energy: -124.029 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: 5 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1414.874012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.874012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.874012 (E_RNA) where: Base-Base interactions energy: -900.296 where: short stacking energy: -423.087 Base-Backbone interact. energy: 1.546 local terms energy: -516.124370 where: bonds (distance) C4'-P energy: -115.988 bonds (distance) P-C4' energy: -123.905 flat angles C4'-P-C4' energy: -137.545 flat angles P-C4'-P energy: -53.390 tors. eta vs tors. theta energy: -85.295 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: 9, replica: 6 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -893.263463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.263463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.263463 (E_RNA) where: Base-Base interactions energy: -493.495 where: short stacking energy: -274.247 Base-Backbone interact. energy: 0.488 local terms energy: -400.257115 where: bonds (distance) C4'-P energy: -117.868 bonds (distance) P-C4' energy: -114.092 flat angles C4'-P-C4' energy: -103.314 flat angles P-C4'-P energy: -39.965 tors. eta vs tors. theta energy: -25.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -709.967240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.967240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.967240 (E_RNA) where: Base-Base interactions energy: -334.491 where: short stacking energy: -199.552 Base-Backbone interact. energy: 0.843 local terms energy: -376.319555 where: bonds (distance) C4'-P energy: -118.601 bonds (distance) P-C4' energy: -114.211 flat angles C4'-P-C4' energy: -109.969 flat angles P-C4'-P energy: -47.759 tors. eta vs tors. theta energy: 14.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -2645.620822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.620822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.620822 (E_RNA) where: Base-Base interactions energy: -1825.954 where: short stacking energy: -782.410 Base-Backbone interact. energy: -2.429 local terms energy: -817.237873 where: bonds (distance) C4'-P energy: -136.141 bonds (distance) P-C4' energy: -147.594 flat angles C4'-P-C4' energy: -178.956 flat angles P-C4'-P energy: -117.364 tors. eta vs tors. theta energy: -237.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2486.719378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.719378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.719378 (E_RNA) where: Base-Base interactions energy: -1673.083 where: short stacking energy: -741.521 Base-Backbone interact. energy: -1.363 local terms energy: -812.272764 where: bonds (distance) C4'-P energy: -144.252 bonds (distance) P-C4' energy: -153.267 flat angles C4'-P-C4' energy: -171.244 flat angles P-C4'-P energy: -122.250 tors. eta vs tors. theta energy: -221.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2484.699992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.699992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.699992 (E_RNA) where: Base-Base interactions energy: -1732.289 where: short stacking energy: -734.711 Base-Backbone interact. energy: -1.959 local terms energy: -750.451416 where: bonds (distance) C4'-P energy: -132.280 bonds (distance) P-C4' energy: -144.092 flat angles C4'-P-C4' energy: -158.831 flat angles P-C4'-P energy: -109.478 tors. eta vs tors. theta energy: -205.769 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: 9 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2341.740687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.740687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.740687 (E_RNA) where: Base-Base interactions energy: -1621.531 where: short stacking energy: -685.555 Base-Backbone interact. energy: -2.558 local terms energy: -717.651942 where: bonds (distance) C4'-P energy: -115.069 bonds (distance) P-C4' energy: -144.650 flat angles C4'-P-C4' energy: -160.223 flat angles P-C4'-P energy: -108.002 tors. eta vs tors. theta energy: -189.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2153.316749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.316749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.316749 (E_RNA) where: Base-Base interactions energy: -1476.057 where: short stacking energy: -600.061 Base-Backbone interact. energy: 4.143 local terms energy: -681.403073 where: bonds (distance) C4'-P energy: -133.702 bonds (distance) P-C4' energy: -151.139 flat angles C4'-P-C4' energy: -141.129 flat angles P-C4'-P energy: -88.286 tors. eta vs tors. theta energy: -167.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -2047.706632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.706632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.706632 (E_RNA) where: Base-Base interactions energy: -1392.822 where: short stacking energy: -598.568 Base-Backbone interact. energy: -0.187 local terms energy: -654.697639 where: bonds (distance) C4'-P energy: -128.390 bonds (distance) P-C4' energy: -134.354 flat angles C4'-P-C4' energy: -142.471 flat angles P-C4'-P energy: -88.436 tors. eta vs tors. theta energy: -161.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1765.272360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.272360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.272360 (E_RNA) where: Base-Base interactions energy: -1166.894 where: short stacking energy: -508.801 Base-Backbone interact. energy: -1.358 local terms energy: -598.311615 where: bonds (distance) C4'-P energy: -132.265 bonds (distance) P-C4' energy: -128.427 flat angles C4'-P-C4' energy: -139.440 flat angles P-C4'-P energy: -82.331 tors. eta vs tors. theta energy: -115.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.292 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1363.649178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.649178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.649178 (E_RNA) where: Base-Base interactions energy: -856.845 where: short stacking energy: -388.372 Base-Backbone interact. energy: -0.989 local terms energy: -505.814478 where: bonds (distance) C4'-P energy: -118.893 bonds (distance) P-C4' energy: -116.387 flat angles C4'-P-C4' energy: -117.193 flat angles P-C4'-P energy: -73.215 tors. eta vs tors. theta energy: -80.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -876.365128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.365128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.365128 (E_RNA) where: Base-Base interactions energy: -464.222 where: short stacking energy: -244.381 Base-Backbone interact. energy: 2.384 local terms energy: -414.526952 where: bonds (distance) C4'-P energy: -129.326 bonds (distance) P-C4' energy: -130.510 flat angles C4'-P-C4' energy: -103.429 flat angles P-C4'-P energy: -52.823 tors. eta vs tors. theta energy: 1.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -752.000595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.000595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.000595 (E_RNA) where: Base-Base interactions energy: -364.177 where: short stacking energy: -193.203 Base-Backbone interact. energy: 7.343 local terms energy: -395.359000 where: bonds (distance) C4'-P energy: -129.181 bonds (distance) P-C4' energy: -113.715 flat angles C4'-P-C4' energy: -106.960 flat angles P-C4'-P energy: -59.399 tors. eta vs tors. theta energy: 13.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.193 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -2640.015281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.015281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.015281 (E_RNA) where: Base-Base interactions energy: -1818.028 where: short stacking energy: -778.025 Base-Backbone interact. energy: 1.092 local terms energy: -823.080065 where: bonds (distance) C4'-P energy: -154.303 bonds (distance) P-C4' energy: -146.478 flat angles C4'-P-C4' energy: -168.955 flat angles P-C4'-P energy: -117.375 tors. eta vs tors. theta energy: -235.969 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: 2 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2473.455273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.455273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.455273 (E_RNA) where: Base-Base interactions energy: -1680.988 where: short stacking energy: -719.870 Base-Backbone interact. energy: -2.339 local terms energy: -790.128420 where: bonds (distance) C4'-P energy: -141.356 bonds (distance) P-C4' energy: -155.000 flat angles C4'-P-C4' energy: -173.764 flat angles P-C4'-P energy: -103.396 tors. eta vs tors. theta energy: -216.612 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: 7 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2442.630546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.630546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.630546 (E_RNA) where: Base-Base interactions energy: -1675.408 where: short stacking energy: -735.645 Base-Backbone interact. energy: -5.861 local terms energy: -761.361786 where: bonds (distance) C4'-P energy: -130.657 bonds (distance) P-C4' energy: -134.495 flat angles C4'-P-C4' energy: -163.227 flat angles P-C4'-P energy: -113.451 tors. eta vs tors. theta energy: -219.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2332.315958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.315958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.315958 (E_RNA) where: Base-Base interactions energy: -1616.868 where: short stacking energy: -656.030 Base-Backbone interact. energy: -2.238 local terms energy: -713.210782 where: bonds (distance) C4'-P energy: -144.478 bonds (distance) P-C4' energy: -141.176 flat angles C4'-P-C4' energy: -163.452 flat angles P-C4'-P energy: -91.126 tors. eta vs tors. theta energy: -172.978 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: 5, replica: 8 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2130.271172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.271172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.271172 (E_RNA) where: Base-Base interactions energy: -1448.223 where: short stacking energy: -613.375 Base-Backbone interact. energy: -6.433 local terms energy: -675.614511 where: bonds (distance) C4'-P energy: -138.162 bonds (distance) P-C4' energy: -142.449 flat angles C4'-P-C4' energy: -146.498 flat angles P-C4'-P energy: -89.062 tors. eta vs tors. theta energy: -159.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -2067.063654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.063654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.063654 (E_RNA) where: Base-Base interactions energy: -1410.802 where: short stacking energy: -595.557 Base-Backbone interact. energy: 0.957 local terms energy: -657.217693 where: bonds (distance) C4'-P energy: -114.726 bonds (distance) P-C4' energy: -137.537 flat angles C4'-P-C4' energy: -146.014 flat angles P-C4'-P energy: -101.729 tors. eta vs tors. theta energy: -157.213 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: 4 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1759.913446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.913446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.913446 (E_RNA) where: Base-Base interactions energy: -1152.612 where: short stacking energy: -506.623 Base-Backbone interact. energy: -1.465 local terms energy: -605.837072 where: bonds (distance) C4'-P energy: -128.202 bonds (distance) P-C4' energy: -121.727 flat angles C4'-P-C4' energy: -124.278 flat angles P-C4'-P energy: -89.272 tors. eta vs tors. theta energy: -142.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1420.102362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.102362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.102362 (E_RNA) where: Base-Base interactions energy: -910.894 where: short stacking energy: -406.084 Base-Backbone interact. energy: 0.084 local terms energy: -509.292627 where: bonds (distance) C4'-P energy: -115.772 bonds (distance) P-C4' energy: -137.680 flat angles C4'-P-C4' energy: -120.383 flat angles P-C4'-P energy: -74.040 tors. eta vs tors. theta energy: -61.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -906.903242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.903242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.903242 (E_RNA) where: Base-Base interactions energy: -478.527 where: short stacking energy: -259.992 Base-Backbone interact. energy: -1.877 local terms energy: -426.499545 where: bonds (distance) C4'-P energy: -100.759 bonds (distance) P-C4' energy: -135.771 flat angles C4'-P-C4' energy: -126.686 flat angles P-C4'-P energy: -59.534 tors. eta vs tors. theta energy: -3.749 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: 10 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -711.842962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.842962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.842962 (E_RNA) where: Base-Base interactions energy: -347.805 where: short stacking energy: -206.904 Base-Backbone interact. energy: 4.571 local terms energy: -368.609639 where: bonds (distance) C4'-P energy: -107.675 bonds (distance) P-C4' energy: -119.237 flat angles C4'-P-C4' energy: -118.334 flat angles P-C4'-P energy: -51.664 tors. eta vs tors. theta energy: 28.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -2611.703856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.703856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.703856 (E_RNA) where: Base-Base interactions energy: -1804.651 where: short stacking energy: -768.542 Base-Backbone interact. energy: -5.259 local terms energy: -801.793530 where: bonds (distance) C4'-P energy: -143.405 bonds (distance) P-C4' energy: -133.969 flat angles C4'-P-C4' energy: -169.281 flat angles P-C4'-P energy: -116.319 tors. eta vs tors. theta energy: -238.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2497.564355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.564355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.564355 (E_RNA) where: Base-Base interactions energy: -1711.875 where: short stacking energy: -733.495 Base-Backbone interact. energy: -2.387 local terms energy: -783.302124 where: bonds (distance) C4'-P energy: -157.877 bonds (distance) P-C4' energy: -149.842 flat angles C4'-P-C4' energy: -168.472 flat angles P-C4'-P energy: -108.704 tors. eta vs tors. theta energy: -198.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2371.184380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.184380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.184380 (E_RNA) where: Base-Base interactions energy: -1640.421 where: short stacking energy: -694.176 Base-Backbone interact. energy: -2.687 local terms energy: -728.076646 where: bonds (distance) C4'-P energy: -145.734 bonds (distance) P-C4' energy: -135.601 flat angles C4'-P-C4' energy: -142.230 flat angles P-C4'-P energy: -110.620 tors. eta vs tors. theta energy: -193.892 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: 9 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2333.950935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.950935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.950935 (E_RNA) where: Base-Base interactions energy: -1615.673 where: short stacking energy: -686.803 Base-Backbone interact. energy: -1.491 local terms energy: -716.787161 where: bonds (distance) C4'-P energy: -123.363 bonds (distance) P-C4' energy: -134.700 flat angles C4'-P-C4' energy: -160.396 flat angles P-C4'-P energy: -89.805 tors. eta vs tors. theta energy: -208.524 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: 8 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2118.465459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.465459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.465459 (E_RNA) where: Base-Base interactions energy: -1446.671 where: short stacking energy: -621.372 Base-Backbone interact. energy: 1.535 local terms energy: -673.328842 where: bonds (distance) C4'-P energy: -128.870 bonds (distance) P-C4' energy: -138.807 flat angles C4'-P-C4' energy: -140.242 flat angles P-C4'-P energy: -101.916 tors. eta vs tors. theta energy: -163.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1994.778937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.778937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.778937 (E_RNA) where: Base-Base interactions energy: -1319.061 where: short stacking energy: -594.908 Base-Backbone interact. energy: 6.932 local terms energy: -682.649860 where: bonds (distance) C4'-P energy: -124.886 bonds (distance) P-C4' energy: -144.701 flat angles C4'-P-C4' energy: -161.461 flat angles P-C4'-P energy: -95.773 tors. eta vs tors. theta energy: -155.829 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: 4 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1741.111773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.111773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.111773 (E_RNA) where: Base-Base interactions energy: -1159.137 where: short stacking energy: -499.890 Base-Backbone interact. energy: 0.842 local terms energy: -582.817162 where: bonds (distance) C4'-P energy: -124.239 bonds (distance) P-C4' energy: -119.973 flat angles C4'-P-C4' energy: -131.379 flat angles P-C4'-P energy: -96.632 tors. eta vs tors. theta energy: -110.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1370.700358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.700358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.700358 (E_RNA) where: Base-Base interactions energy: -848.938 where: short stacking energy: -399.537 Base-Backbone interact. energy: -1.254 local terms energy: -520.508455 where: bonds (distance) C4'-P energy: -125.021 bonds (distance) P-C4' energy: -139.120 flat angles C4'-P-C4' energy: -128.826 flat angles P-C4'-P energy: -55.415 tors. eta vs tors. theta energy: -72.126 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: 6 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -897.716378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.716378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.716378 (E_RNA) where: Base-Base interactions energy: -415.998 where: short stacking energy: -225.442 Base-Backbone interact. energy: 2.546 local terms energy: -484.532010 where: bonds (distance) C4'-P energy: -135.153 bonds (distance) P-C4' energy: -136.300 flat angles C4'-P-C4' energy: -137.858 flat angles P-C4'-P energy: -64.529 tors. eta vs tors. theta energy: -10.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.268 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -689.907321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.907321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.907321 (E_RNA) where: Base-Base interactions energy: -308.438 where: short stacking energy: -194.586 Base-Backbone interact. energy: -1.446 local terms energy: -380.023067 where: bonds (distance) C4'-P energy: -116.512 bonds (distance) P-C4' energy: -116.025 flat angles C4'-P-C4' energy: -102.348 flat angles P-C4'-P energy: -56.895 tors. eta vs tors. theta energy: 11.756 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: 3 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -2610.010269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.010269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.010269 (E_RNA) where: Base-Base interactions energy: -1769.049 where: short stacking energy: -774.183 Base-Backbone interact. energy: -3.105 local terms energy: -837.855950 where: bonds (distance) C4'-P energy: -157.955 bonds (distance) P-C4' energy: -147.967 flat angles C4'-P-C4' energy: -173.010 flat angles P-C4'-P energy: -117.275 tors. eta vs tors. theta energy: -241.649 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: 2, replica: 7 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2524.675516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.675516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.675516 (E_RNA) where: Base-Base interactions energy: -1736.706 where: short stacking energy: -744.504 Base-Backbone interact. energy: -1.347 local terms energy: -786.622643 where: bonds (distance) C4'-P energy: -147.279 bonds (distance) P-C4' energy: -147.105 flat angles C4'-P-C4' energy: -168.785 flat angles P-C4'-P energy: -110.710 tors. eta vs tors. theta energy: -212.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2390.706404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.706404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.706404 (E_RNA) where: Base-Base interactions energy: -1648.443 where: short stacking energy: -725.639 Base-Backbone interact. energy: -0.999 local terms energy: -741.264193 where: bonds (distance) C4'-P energy: -128.047 bonds (distance) P-C4' energy: -129.847 flat angles C4'-P-C4' energy: -156.243 flat angles P-C4'-P energy: -107.649 tors. eta vs tors. theta energy: -219.479 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: 2 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2349.177671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.177671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.177671 (E_RNA) where: Base-Base interactions energy: -1609.257 where: short stacking energy: -700.039 Base-Backbone interact. energy: -2.542 local terms energy: -737.377829 where: bonds (distance) C4'-P energy: -122.271 bonds (distance) P-C4' energy: -153.396 flat angles C4'-P-C4' energy: -155.463 flat angles P-C4'-P energy: -106.298 tors. eta vs tors. theta energy: -199.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -2134.532636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.532636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.532636 (E_RNA) where: Base-Base interactions energy: -1482.334 where: short stacking energy: -604.944 Base-Backbone interact. energy: -3.533 local terms energy: -648.665792 where: bonds (distance) C4'-P energy: -139.322 bonds (distance) P-C4' energy: -139.225 flat angles C4'-P-C4' energy: -146.074 flat angles P-C4'-P energy: -75.138 tors. eta vs tors. theta energy: -148.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -2013.959540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.959540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.959540 (E_RNA) where: Base-Base interactions energy: -1363.696 where: short stacking energy: -619.368 Base-Backbone interact. energy: -3.544 local terms energy: -646.719335 where: bonds (distance) C4'-P energy: -115.257 bonds (distance) P-C4' energy: -134.877 flat angles C4'-P-C4' energy: -146.722 flat angles P-C4'-P energy: -82.156 tors. eta vs tors. theta energy: -167.708 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: 4 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1774.828599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.828599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.828599 (E_RNA) where: Base-Base interactions energy: -1175.639 where: short stacking energy: -514.829 Base-Backbone interact. energy: 1.136 local terms energy: -600.325648 where: bonds (distance) C4'-P energy: -133.055 bonds (distance) P-C4' energy: -111.466 flat angles C4'-P-C4' energy: -156.019 flat angles P-C4'-P energy: -80.602 tors. eta vs tors. theta energy: -119.184 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: 5 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1342.297444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.297444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.297444 (E_RNA) where: Base-Base interactions energy: -831.933 where: short stacking energy: -405.838 Base-Backbone interact. energy: -0.197 local terms energy: -510.167718 where: bonds (distance) C4'-P energy: -118.561 bonds (distance) P-C4' energy: -127.897 flat angles C4'-P-C4' energy: -126.576 flat angles P-C4'-P energy: -62.840 tors. eta vs tors. theta energy: -74.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -887.774775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.774775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.774775 (E_RNA) where: Base-Base interactions energy: -459.191 where: short stacking energy: -268.633 Base-Backbone interact. energy: 0.258 local terms energy: -428.842291 where: bonds (distance) C4'-P energy: -90.896 bonds (distance) P-C4' energy: -137.686 flat angles C4'-P-C4' energy: -124.410 flat angles P-C4'-P energy: -59.768 tors. eta vs tors. theta energy: -16.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -754.589539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.589539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.589539 (E_RNA) where: Base-Base interactions energy: -376.711 where: short stacking energy: -210.671 Base-Backbone interact. energy: -4.271 local terms energy: -373.607461 where: bonds (distance) C4'-P energy: -99.394 bonds (distance) P-C4' energy: -125.909 flat angles C4'-P-C4' energy: -84.875 flat angles P-C4'-P energy: -68.469 tors. eta vs tors. theta energy: 5.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -2614.688103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.688103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.688103 (E_RNA) where: Base-Base interactions energy: -1800.622 where: short stacking energy: -778.104 Base-Backbone interact. energy: -0.280 local terms energy: -813.786064 where: bonds (distance) C4'-P energy: -127.945 bonds (distance) P-C4' energy: -149.104 flat angles C4'-P-C4' energy: -163.520 flat angles P-C4'-P energy: -125.769 tors. eta vs tors. theta energy: -247.448 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: 7 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -2470.633241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.633241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.633241 (E_RNA) where: Base-Base interactions energy: -1699.108 where: short stacking energy: -746.082 Base-Backbone interact. energy: -2.656 local terms energy: -768.869049 where: bonds (distance) C4'-P energy: -141.641 bonds (distance) P-C4' energy: -147.422 flat angles C4'-P-C4' energy: -169.549 flat angles P-C4'-P energy: -88.418 tors. eta vs tors. theta energy: -221.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2395.111162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.111162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.111162 (E_RNA) where: Base-Base interactions energy: -1630.880 where: short stacking energy: -701.759 Base-Backbone interact. energy: 0.333 local terms energy: -764.564389 where: bonds (distance) C4'-P energy: -141.832 bonds (distance) P-C4' energy: -141.611 flat angles C4'-P-C4' energy: -160.716 flat angles P-C4'-P energy: -114.483 tors. eta vs tors. theta energy: -205.922 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: 2 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2329.358903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.358903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.358903 (E_RNA) where: Base-Base interactions energy: -1599.572 where: short stacking energy: -693.071 Base-Backbone interact. energy: -0.441 local terms energy: -729.346056 where: bonds (distance) C4'-P energy: -152.083 bonds (distance) P-C4' energy: -134.368 flat angles C4'-P-C4' energy: -154.521 flat angles P-C4'-P energy: -92.705 tors. eta vs tors. theta energy: -195.669 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: 5, replica: 8 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -2122.339645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.339645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.339645 (E_RNA) where: Base-Base interactions energy: -1459.875 where: short stacking energy: -639.950 Base-Backbone interact. energy: -2.110 local terms energy: -660.354441 where: bonds (distance) C4'-P energy: -116.340 bonds (distance) P-C4' energy: -146.786 flat angles C4'-P-C4' energy: -160.766 flat angles P-C4'-P energy: -87.893 tors. eta vs tors. theta energy: -148.570 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: 6, replica: 1 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -2014.960181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.960181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.960181 (E_RNA) where: Base-Base interactions energy: -1370.684 where: short stacking energy: -626.239 Base-Backbone interact. energy: -3.079 local terms energy: -641.197409 where: bonds (distance) C4'-P energy: -135.497 bonds (distance) P-C4' energy: -122.636 flat angles C4'-P-C4' energy: -131.978 flat angles P-C4'-P energy: -84.004 tors. eta vs tors. theta energy: -167.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1767.371125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.371125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.371125 (E_RNA) where: Base-Base interactions energy: -1174.983 where: short stacking energy: -515.418 Base-Backbone interact. energy: -6.951 local terms energy: -585.437311 where: bonds (distance) C4'-P energy: -126.774 bonds (distance) P-C4' energy: -144.926 flat angles C4'-P-C4' energy: -128.297 flat angles P-C4'-P energy: -65.114 tors. eta vs tors. theta energy: -120.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1403.726858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.726858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.726858 (E_RNA) where: Base-Base interactions energy: -891.824 where: short stacking energy: -435.521 Base-Backbone interact. energy: 4.689 local terms energy: -516.592065 where: bonds (distance) C4'-P energy: -110.717 bonds (distance) P-C4' energy: -127.868 flat angles C4'-P-C4' energy: -118.237 flat angles P-C4'-P energy: -69.921 tors. eta vs tors. theta energy: -89.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -922.950986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.950986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.950986 (E_RNA) where: Base-Base interactions energy: -449.209 where: short stacking energy: -229.341 Base-Backbone interact. energy: 4.352 local terms energy: -478.093729 where: bonds (distance) C4'-P energy: -121.046 bonds (distance) P-C4' energy: -126.291 flat angles C4'-P-C4' energy: -113.341 flat angles P-C4'-P energy: -90.839 tors. eta vs tors. theta energy: -26.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -785.166591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.166591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.166591 (E_RNA) where: Base-Base interactions energy: -382.123 where: short stacking energy: -221.709 Base-Backbone interact. energy: 0.152 local terms energy: -403.194923 where: bonds (distance) C4'-P energy: -101.518 bonds (distance) P-C4' energy: -112.889 flat angles C4'-P-C4' energy: -113.230 flat angles P-C4'-P energy: -75.785 tors. eta vs tors. theta energy: 0.227 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: 3 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -2656.690319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.690319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.690319 (E_RNA) where: Base-Base interactions energy: -1805.240 where: short stacking energy: -777.621 Base-Backbone interact. energy: -0.867 local terms energy: -850.584095 where: bonds (distance) C4'-P energy: -163.672 bonds (distance) P-C4' energy: -150.344 flat angles C4'-P-C4' energy: -173.463 flat angles P-C4'-P energy: -116.286 tors. eta vs tors. theta energy: -246.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -2473.702640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.702640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.702640 (E_RNA) where: Base-Base interactions energy: -1695.659 where: short stacking energy: -722.698 Base-Backbone interact. energy: -2.307 local terms energy: -775.736625 where: bonds (distance) C4'-P energy: -131.677 bonds (distance) P-C4' energy: -139.766 flat angles C4'-P-C4' energy: -177.263 flat angles P-C4'-P energy: -112.401 tors. eta vs tors. theta energy: -214.629 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: 9 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2408.951886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.951886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.951886 (E_RNA) where: Base-Base interactions energy: -1661.382 where: short stacking energy: -724.721 Base-Backbone interact. energy: -2.217 local terms energy: -745.353168 where: bonds (distance) C4'-P energy: -135.322 bonds (distance) P-C4' energy: -141.593 flat angles C4'-P-C4' energy: -159.511 flat angles P-C4'-P energy: -99.846 tors. eta vs tors. theta energy: -209.081 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: 2 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2284.207365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.207365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.207365 (E_RNA) where: Base-Base interactions energy: -1566.287 where: short stacking energy: -671.597 Base-Backbone interact. energy: 2.312 local terms energy: -720.232689 where: bonds (distance) C4'-P energy: -130.654 bonds (distance) P-C4' energy: -137.933 flat angles C4'-P-C4' energy: -165.757 flat angles P-C4'-P energy: -99.560 tors. eta vs tors. theta energy: -186.329 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: 446 Temperature: 1.100000 Total energy: -2173.832628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.832628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.832628 (E_RNA) where: Base-Base interactions energy: -1508.458 where: short stacking energy: -635.082 Base-Backbone interact. energy: -2.333 local terms energy: -663.041387 where: bonds (distance) C4'-P energy: -130.207 bonds (distance) P-C4' energy: -130.309 flat angles C4'-P-C4' energy: -147.869 flat angles P-C4'-P energy: -90.320 tors. eta vs tors. theta energy: -164.336 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: 1 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -2062.531772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.531772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.531772 (E_RNA) where: Base-Base interactions energy: -1399.214 where: short stacking energy: -616.557 Base-Backbone interact. energy: -0.769 local terms energy: -662.548764 where: bonds (distance) C4'-P energy: -112.487 bonds (distance) P-C4' energy: -140.792 flat angles C4'-P-C4' energy: -150.035 flat angles P-C4'-P energy: -88.367 tors. eta vs tors. theta energy: -170.868 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: 4 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1742.597841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.597841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.597841 (E_RNA) where: Base-Base interactions energy: -1168.781 where: short stacking energy: -491.391 Base-Backbone interact. energy: 3.768 local terms energy: -577.584167 where: bonds (distance) C4'-P energy: -128.300 bonds (distance) P-C4' energy: -134.970 flat angles C4'-P-C4' energy: -123.911 flat angles P-C4'-P energy: -92.429 tors. eta vs tors. theta energy: -97.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1423.735715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.735715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.735715 (E_RNA) where: Base-Base interactions energy: -900.866 where: short stacking energy: -401.958 Base-Backbone interact. energy: 0.540 local terms energy: -523.409140 where: bonds (distance) C4'-P energy: -108.744 bonds (distance) P-C4' energy: -122.186 flat angles C4'-P-C4' energy: -123.642 flat angles P-C4'-P energy: -81.609 tors. eta vs tors. theta energy: -87.227 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: 6 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -875.548033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.548033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.548033 (E_RNA) where: Base-Base interactions energy: -464.357 where: short stacking energy: -254.299 Base-Backbone interact. energy: 1.657 local terms energy: -412.848184 where: bonds (distance) C4'-P energy: -120.036 bonds (distance) P-C4' energy: -123.741 flat angles C4'-P-C4' energy: -108.136 flat angles P-C4'-P energy: -63.100 tors. eta vs tors. theta energy: 2.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -788.517203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.517203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.517203 (E_RNA) where: Base-Base interactions energy: -404.689 where: short stacking energy: -226.152 Base-Backbone interact. energy: -1.749 local terms energy: -382.078866 where: bonds (distance) C4'-P energy: -95.371 bonds (distance) P-C4' energy: -121.168 flat angles C4'-P-C4' energy: -96.505 flat angles P-C4'-P energy: -59.743 tors. eta vs tors. theta energy: -9.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -2656.836982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.836982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.836982 (E_RNA) where: Base-Base interactions energy: -1845.898 where: short stacking energy: -786.411 Base-Backbone interact. energy: -2.875 local terms energy: -808.063721 where: bonds (distance) C4'-P energy: -138.244 bonds (distance) P-C4' energy: -150.495 flat angles C4'-P-C4' energy: -167.137 flat angles P-C4'-P energy: -120.739 tors. eta vs tors. theta energy: -231.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2507.083826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.083826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.083826 (E_RNA) where: Base-Base interactions energy: -1737.421 where: short stacking energy: -746.849 Base-Backbone interact. energy: -0.979 local terms energy: -768.684448 where: bonds (distance) C4'-P energy: -123.073 bonds (distance) P-C4' energy: -143.827 flat angles C4'-P-C4' energy: -165.869 flat angles P-C4'-P energy: -123.388 tors. eta vs tors. theta energy: -212.528 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: 3, replica: 9 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2366.159763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.159763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.159763 (E_RNA) where: Base-Base interactions energy: -1629.542 where: short stacking energy: -685.256 Base-Backbone interact. energy: -3.049 local terms energy: -733.568977 where: bonds (distance) C4'-P energy: -148.094 bonds (distance) P-C4' energy: -136.864 flat angles C4'-P-C4' energy: -152.005 flat angles P-C4'-P energy: -103.060 tors. eta vs tors. theta energy: -193.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2267.906794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.906794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.906794 (E_RNA) where: Base-Base interactions energy: -1530.187 where: short stacking energy: -649.656 Base-Backbone interact. energy: 1.152 local terms energy: -738.871752 where: bonds (distance) C4'-P energy: -145.062 bonds (distance) P-C4' energy: -139.747 flat angles C4'-P-C4' energy: -167.302 flat angles P-C4'-P energy: -98.038 tors. eta vs tors. theta energy: -188.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -2180.138719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.138719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.138719 (E_RNA) where: Base-Base interactions energy: -1520.502 where: short stacking energy: -635.130 Base-Backbone interact. energy: 2.390 local terms energy: -662.026589 where: bonds (distance) C4'-P energy: -118.133 bonds (distance) P-C4' energy: -132.857 flat angles C4'-P-C4' energy: -143.031 flat angles P-C4'-P energy: -92.381 tors. eta vs tors. theta energy: -175.626 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: 1 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -2103.435381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.435381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.435381 (E_RNA) where: Base-Base interactions energy: -1452.304 where: short stacking energy: -645.810 Base-Backbone interact. energy: -0.523 local terms energy: -650.608026 where: bonds (distance) C4'-P energy: -134.974 bonds (distance) P-C4' energy: -111.719 flat angles C4'-P-C4' energy: -155.115 flat angles P-C4'-P energy: -77.411 tors. eta vs tors. theta energy: -171.389 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: 4 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1686.079499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.079499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.079499 (E_RNA) where: Base-Base interactions energy: -1126.622 where: short stacking energy: -492.997 Base-Backbone interact. energy: -1.328 local terms energy: -558.129139 where: bonds (distance) C4'-P energy: -122.077 bonds (distance) P-C4' energy: -115.539 flat angles C4'-P-C4' energy: -126.165 flat angles P-C4'-P energy: -78.754 tors. eta vs tors. theta energy: -115.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1409.881474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.881474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.881474 (E_RNA) where: Base-Base interactions energy: -892.916 where: short stacking energy: -417.717 Base-Backbone interact. energy: 2.279 local terms energy: -519.245179 where: bonds (distance) C4'-P energy: -129.635 bonds (distance) P-C4' energy: -115.413 flat angles C4'-P-C4' energy: -114.458 flat angles P-C4'-P energy: -76.324 tors. eta vs tors. theta energy: -83.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -895.961280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.961280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.961280 (E_RNA) where: Base-Base interactions energy: -461.764 where: short stacking energy: -268.119 Base-Backbone interact. energy: -1.642 local terms energy: -432.555162 where: bonds (distance) C4'-P energy: -118.169 bonds (distance) P-C4' energy: -129.532 flat angles C4'-P-C4' energy: -112.250 flat angles P-C4'-P energy: -66.274 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: 10, replica: 10 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -825.599921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.599921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.599921 (E_RNA) where: Base-Base interactions energy: -437.735 where: short stacking energy: -266.960 Base-Backbone interact. energy: -2.852 local terms energy: -385.013324 where: bonds (distance) C4'-P energy: -94.628 bonds (distance) P-C4' energy: -104.491 flat angles C4'-P-C4' energy: -97.252 flat angles P-C4'-P energy: -81.990 tors. eta vs tors. theta energy: -6.653 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: 3 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -2677.216376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.216376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.216376 (E_RNA) where: Base-Base interactions energy: -1814.489 where: short stacking energy: -806.076 Base-Backbone interact. energy: 0.862 local terms energy: -863.588572 where: bonds (distance) C4'-P energy: -156.124 bonds (distance) P-C4' energy: -148.993 flat angles C4'-P-C4' energy: -182.417 flat angles P-C4'-P energy: -131.114 tors. eta vs tors. theta energy: -244.940 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: 7 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2518.462544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.462544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.462544 (E_RNA) where: Base-Base interactions energy: -1758.222 where: short stacking energy: -728.512 Base-Backbone interact. energy: 0.698 local terms energy: -760.939137 where: bonds (distance) C4'-P energy: -143.034 bonds (distance) P-C4' energy: -137.542 flat angles C4'-P-C4' energy: -179.262 flat angles P-C4'-P energy: -94.788 tors. eta vs tors. theta energy: -206.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2377.268280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.268280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.268280 (E_RNA) where: Base-Base interactions energy: -1630.069 where: short stacking energy: -705.458 Base-Backbone interact. energy: -1.145 local terms energy: -746.054716 where: bonds (distance) C4'-P energy: -134.074 bonds (distance) P-C4' energy: -152.916 flat angles C4'-P-C4' energy: -148.311 flat angles P-C4'-P energy: -103.320 tors. eta vs tors. theta energy: -207.433 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: 2 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2235.491948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.491948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.491948 (E_RNA) where: Base-Base interactions energy: -1542.184 where: short stacking energy: -656.788 Base-Backbone interact. energy: -1.141 local terms energy: -692.166387 where: bonds (distance) C4'-P energy: -136.655 bonds (distance) P-C4' energy: -134.192 flat angles C4'-P-C4' energy: -156.342 flat angles P-C4'-P energy: -94.431 tors. eta vs tors. theta energy: -170.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -2144.360516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.360516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.360516 (E_RNA) where: Base-Base interactions energy: -1469.074 where: short stacking energy: -601.722 Base-Backbone interact. energy: -2.646 local terms energy: -672.640570 where: bonds (distance) C4'-P energy: -139.357 bonds (distance) P-C4' energy: -140.863 flat angles C4'-P-C4' energy: -138.859 flat angles P-C4'-P energy: -87.990 tors. eta vs tors. theta energy: -165.571 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: 1 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -2045.067202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.067202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.067202 (E_RNA) where: Base-Base interactions energy: -1358.683 where: short stacking energy: -606.873 Base-Backbone interact. energy: -2.201 local terms energy: -684.183531 where: bonds (distance) C4'-P energy: -137.799 bonds (distance) P-C4' energy: -135.072 flat angles C4'-P-C4' energy: -147.943 flat angles P-C4'-P energy: -95.364 tors. eta vs tors. theta energy: -168.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1733.346141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.346141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.346141 (E_RNA) where: Base-Base interactions energy: -1149.980 where: short stacking energy: -492.702 Base-Backbone interact. energy: -1.242 local terms energy: -582.124292 where: bonds (distance) C4'-P energy: -117.255 bonds (distance) P-C4' energy: -118.506 flat angles C4'-P-C4' energy: -130.081 flat angles P-C4'-P energy: -100.627 tors. eta vs tors. theta energy: -115.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1384.504874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.504874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.504874 (E_RNA) where: Base-Base interactions energy: -884.500 where: short stacking energy: -443.978 Base-Backbone interact. energy: -0.552 local terms energy: -500.038981 where: bonds (distance) C4'-P energy: -99.333 bonds (distance) P-C4' energy: -121.624 flat angles C4'-P-C4' energy: -124.692 flat angles P-C4'-P energy: -66.304 tors. eta vs tors. theta energy: -88.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.586 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -847.225834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.225834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.225834 (E_RNA) where: Base-Base interactions energy: -431.036 where: short stacking energy: -256.402 Base-Backbone interact. energy: 5.913 local terms energy: -422.102598 where: bonds (distance) C4'-P energy: -115.948 bonds (distance) P-C4' energy: -128.830 flat angles C4'-P-C4' energy: -109.660 flat angles P-C4'-P energy: -64.181 tors. eta vs tors. theta energy: -3.484 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: 10 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -802.976007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.976007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.976007 (E_RNA) where: Base-Base interactions energy: -378.711 where: short stacking energy: -227.664 Base-Backbone interact. energy: 1.737 local terms energy: -426.002645 where: bonds (distance) C4'-P energy: -118.613 bonds (distance) P-C4' energy: -141.277 flat angles C4'-P-C4' energy: -107.329 flat angles P-C4'-P energy: -56.922 tors. eta vs tors. theta energy: -1.862 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: 3 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -2665.321494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.321494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.321494 (E_RNA) where: Base-Base interactions energy: -1860.648 where: short stacking energy: -821.752 Base-Backbone interact. energy: -2.070 local terms energy: -802.603162 where: bonds (distance) C4'-P energy: -137.575 bonds (distance) P-C4' energy: -127.939 flat angles C4'-P-C4' energy: -170.900 flat angles P-C4'-P energy: -119.453 tors. eta vs tors. theta energy: -246.735 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: 449 Temperature: 0.950000 Total energy: -2493.676626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.676626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.676626 (E_RNA) where: Base-Base interactions energy: -1715.482 where: short stacking energy: -717.009 Base-Backbone interact. energy: -1.357 local terms energy: -776.837463 where: bonds (distance) C4'-P energy: -130.979 bonds (distance) P-C4' energy: -147.701 flat angles C4'-P-C4' energy: -169.827 flat angles P-C4'-P energy: -124.334 tors. eta vs tors. theta energy: -203.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2363.274814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.274814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.274814 (E_RNA) where: Base-Base interactions energy: -1609.609 where: short stacking energy: -682.792 Base-Backbone interact. energy: 1.707 local terms energy: -755.372037 where: bonds (distance) C4'-P energy: -137.449 bonds (distance) P-C4' energy: -141.124 flat angles C4'-P-C4' energy: -160.793 flat angles P-C4'-P energy: -110.742 tors. eta vs tors. theta energy: -205.264 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: 4, replica: 2 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2252.732895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.732895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.732895 (E_RNA) where: Base-Base interactions energy: -1498.004 where: short stacking energy: -659.827 Base-Backbone interact. energy: -0.770 local terms energy: -753.959146 where: bonds (distance) C4'-P energy: -137.468 bonds (distance) P-C4' energy: -145.255 flat angles C4'-P-C4' energy: -166.145 flat angles P-C4'-P energy: -116.219 tors. eta vs tors. theta energy: -188.871 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: 8 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2128.522060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.522060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.522060 (E_RNA) where: Base-Base interactions energy: -1472.573 where: short stacking energy: -608.618 Base-Backbone interact. energy: -1.379 local terms energy: -654.569963 where: bonds (distance) C4'-P energy: -132.996 bonds (distance) P-C4' energy: -135.231 flat angles C4'-P-C4' energy: -131.223 flat angles P-C4'-P energy: -90.255 tors. eta vs tors. theta energy: -164.865 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: 1 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -2032.156868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.156868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.156868 (E_RNA) where: Base-Base interactions energy: -1388.783 where: short stacking energy: -609.270 Base-Backbone interact. energy: -1.907 local terms energy: -641.599947 where: bonds (distance) C4'-P energy: -120.547 bonds (distance) P-C4' energy: -131.665 flat angles C4'-P-C4' energy: -159.690 flat angles P-C4'-P energy: -75.358 tors. eta vs tors. theta energy: -154.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.133 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1678.425357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.425357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.425357 (E_RNA) where: Base-Base interactions energy: -1125.691 where: short stacking energy: -484.760 Base-Backbone interact. energy: -2.381 local terms energy: -550.353388 where: bonds (distance) C4'-P energy: -112.019 bonds (distance) P-C4' energy: -114.990 flat angles C4'-P-C4' energy: -131.204 flat angles P-C4'-P energy: -74.839 tors. eta vs tors. theta energy: -117.302 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: 5 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1349.226619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.226619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.226619 (E_RNA) where: Base-Base interactions energy: -804.106 where: short stacking energy: -368.260 Base-Backbone interact. energy: 2.051 local terms energy: -547.171457 where: bonds (distance) C4'-P energy: -110.744 bonds (distance) P-C4' energy: -135.551 flat angles C4'-P-C4' energy: -132.290 flat angles P-C4'-P energy: -84.525 tors. eta vs tors. theta energy: -84.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -943.798251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.798251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.798251 (E_RNA) where: Base-Base interactions energy: -485.362 where: short stacking energy: -262.658 Base-Backbone interact. energy: 0.079 local terms energy: -458.515210 where: bonds (distance) C4'-P energy: -130.346 bonds (distance) P-C4' energy: -132.510 flat angles C4'-P-C4' energy: -122.413 flat angles P-C4'-P energy: -54.498 tors. eta vs tors. theta energy: -18.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -741.907613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.907613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.907613 (E_RNA) where: Base-Base interactions energy: -312.557 where: short stacking energy: -197.243 Base-Backbone interact. energy: -2.922 local terms energy: -426.428562 where: bonds (distance) C4'-P energy: -123.313 bonds (distance) P-C4' energy: -127.765 flat angles C4'-P-C4' energy: -120.906 flat angles P-C4'-P energy: -63.492 tors. eta vs tors. theta energy: 9.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -2654.942537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.942537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.942537 (E_RNA) where: Base-Base interactions energy: -1825.849 where: short stacking energy: -791.480 Base-Backbone interact. energy: -2.502 local terms energy: -826.591013 where: bonds (distance) C4'-P energy: -150.832 bonds (distance) P-C4' energy: -155.910 flat angles C4'-P-C4' energy: -178.369 flat angles P-C4'-P energy: -100.292 tors. eta vs tors. theta energy: -241.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -2485.670767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.670767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.670767 (E_RNA) where: Base-Base interactions energy: -1702.960 where: short stacking energy: -744.045 Base-Backbone interact. energy: -0.922 local terms energy: -781.789353 where: bonds (distance) C4'-P energy: -139.965 bonds (distance) P-C4' energy: -150.311 flat angles C4'-P-C4' energy: -179.002 flat angles P-C4'-P energy: -104.845 tors. eta vs tors. theta energy: -207.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2368.561085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.561085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.561085 (E_RNA) where: Base-Base interactions energy: -1637.619 where: short stacking energy: -681.367 Base-Backbone interact. energy: -2.155 local terms energy: -728.787510 where: bonds (distance) C4'-P energy: -137.150 bonds (distance) P-C4' energy: -146.973 flat angles C4'-P-C4' energy: -144.153 flat angles P-C4'-P energy: -108.148 tors. eta vs tors. theta energy: -192.362 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: 2 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2266.802381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.802381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.802381 (E_RNA) where: Base-Base interactions energy: -1570.010 where: short stacking energy: -668.143 Base-Backbone interact. energy: 0.048 local terms energy: -696.839883 where: bonds (distance) C4'-P energy: -123.969 bonds (distance) P-C4' energy: -135.310 flat angles C4'-P-C4' energy: -146.086 flat angles P-C4'-P energy: -113.725 tors. eta vs tors. theta energy: -177.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -2159.946967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.946967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.946967 (E_RNA) where: Base-Base interactions energy: -1483.088 where: short stacking energy: -599.127 Base-Backbone interact. energy: -2.109 local terms energy: -674.750702 where: bonds (distance) C4'-P energy: -140.317 bonds (distance) P-C4' energy: -135.602 flat angles C4'-P-C4' energy: -145.254 flat angles P-C4'-P energy: -88.956 tors. eta vs tors. theta energy: -164.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -2032.314036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.314036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.314036 (E_RNA) where: Base-Base interactions energy: -1372.359 where: short stacking energy: -590.694 Base-Backbone interact. energy: -0.632 local terms energy: -659.323376 where: bonds (distance) C4'-P energy: -143.108 bonds (distance) P-C4' energy: -124.515 flat angles C4'-P-C4' energy: -141.485 flat angles P-C4'-P energy: -91.312 tors. eta vs tors. theta energy: -158.904 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: 4 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1728.314282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.314282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.314282 (E_RNA) where: Base-Base interactions energy: -1131.360 where: short stacking energy: -517.215 Base-Backbone interact. energy: 2.298 local terms energy: -599.252201 where: bonds (distance) C4'-P energy: -128.221 bonds (distance) P-C4' energy: -126.454 flat angles C4'-P-C4' energy: -137.735 flat angles P-C4'-P energy: -74.017 tors. eta vs tors. theta energy: -132.824 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: 5 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1366.359525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.359525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.359525 (E_RNA) where: Base-Base interactions energy: -861.627 where: short stacking energy: -401.898 Base-Backbone interact. energy: 2.166 local terms energy: -506.898240 where: bonds (distance) C4'-P energy: -120.548 bonds (distance) P-C4' energy: -121.965 flat angles C4'-P-C4' energy: -109.214 flat angles P-C4'-P energy: -73.776 tors. eta vs tors. theta energy: -81.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -940.518020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.518020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.518020 (E_RNA) where: Base-Base interactions energy: -522.044 where: short stacking energy: -266.721 Base-Backbone interact. energy: -1.584 local terms energy: -416.890410 where: bonds (distance) C4'-P energy: -115.939 bonds (distance) P-C4' energy: -127.078 flat angles C4'-P-C4' energy: -111.260 flat angles P-C4'-P energy: -58.266 tors. eta vs tors. theta energy: -4.348 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: 10, replica: 10 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -725.401008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.401008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.401008 (E_RNA) where: Base-Base interactions energy: -360.128 where: short stacking energy: -240.284 Base-Backbone interact. energy: 2.398 local terms energy: -367.671244 where: bonds (distance) C4'-P energy: -104.422 bonds (distance) P-C4' energy: -133.932 flat angles C4'-P-C4' energy: -102.148 flat angles P-C4'-P energy: -42.417 tors. eta vs tors. theta energy: 15.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -2645.188389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.188389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.188389 (E_RNA) where: Base-Base interactions energy: -1799.422 where: short stacking energy: -794.407 Base-Backbone interact. energy: -0.451 local terms energy: -845.315550 where: bonds (distance) C4'-P energy: -138.117 bonds (distance) P-C4' energy: -154.694 flat angles C4'-P-C4' energy: -176.904 flat angles P-C4'-P energy: -126.564 tors. eta vs tors. theta energy: -249.037 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: 7 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -2490.901465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.901465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.901465 (E_RNA) where: Base-Base interactions energy: -1735.781 where: short stacking energy: -721.518 Base-Backbone interact. energy: -3.064 local terms energy: -752.056493 where: bonds (distance) C4'-P energy: -141.692 bonds (distance) P-C4' energy: -133.366 flat angles C4'-P-C4' energy: -170.749 flat angles P-C4'-P energy: -110.510 tors. eta vs tors. theta energy: -195.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2393.246859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.246859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.246859 (E_RNA) where: Base-Base interactions energy: -1654.880 where: short stacking energy: -707.921 Base-Backbone interact. energy: -2.808 local terms energy: -735.558495 where: bonds (distance) C4'-P energy: -123.090 bonds (distance) P-C4' energy: -140.973 flat angles C4'-P-C4' energy: -160.695 flat angles P-C4'-P energy: -106.477 tors. eta vs tors. theta energy: -204.325 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: 8 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2247.424301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.424301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.424301 (E_RNA) where: Base-Base interactions energy: -1540.321 where: short stacking energy: -661.737 Base-Backbone interact. energy: -3.586 local terms energy: -703.517648 where: bonds (distance) C4'-P energy: -134.692 bonds (distance) P-C4' energy: -128.917 flat angles C4'-P-C4' energy: -150.809 flat angles P-C4'-P energy: -108.988 tors. eta vs tors. theta energy: -180.111 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: 2 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2156.821008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.821008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.821008 (E_RNA) where: Base-Base interactions energy: -1452.827 where: short stacking energy: -611.315 Base-Backbone interact. energy: 0.439 local terms energy: -704.432830 where: bonds (distance) C4'-P energy: -136.119 bonds (distance) P-C4' energy: -142.108 flat angles C4'-P-C4' energy: -147.676 flat angles P-C4'-P energy: -98.284 tors. eta vs tors. theta energy: -180.246 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: 6, replica: 1 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -2063.801286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.801286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.801286 (E_RNA) where: Base-Base interactions energy: -1410.773 where: short stacking energy: -626.167 Base-Backbone interact. energy: -1.817 local terms energy: -651.210670 where: bonds (distance) C4'-P energy: -112.196 bonds (distance) P-C4' energy: -134.708 flat angles C4'-P-C4' energy: -142.413 flat angles P-C4'-P energy: -92.190 tors. eta vs tors. theta energy: -169.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1692.834052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.834052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.834052 (E_RNA) where: Base-Base interactions energy: -1100.478 where: short stacking energy: -481.095 Base-Backbone interact. energy: -2.121 local terms energy: -590.235373 where: bonds (distance) C4'-P energy: -129.024 bonds (distance) P-C4' energy: -135.033 flat angles C4'-P-C4' energy: -135.804 flat angles P-C4'-P energy: -88.226 tors. eta vs tors. theta energy: -102.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1347.896865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.896865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.896865 (E_RNA) where: Base-Base interactions energy: -853.769 where: short stacking energy: -405.719 Base-Backbone interact. energy: 0.023 local terms energy: -494.150254 where: bonds (distance) C4'-P energy: -101.627 bonds (distance) P-C4' energy: -97.594 flat angles C4'-P-C4' energy: -129.419 flat angles P-C4'-P energy: -75.535 tors. eta vs tors. theta energy: -89.975 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: 6 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -941.727723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.727723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.727723 (E_RNA) where: Base-Base interactions energy: -498.977 where: short stacking energy: -250.281 Base-Backbone interact. energy: 0.552 local terms energy: -443.302855 where: bonds (distance) C4'-P energy: -119.531 bonds (distance) P-C4' energy: -128.100 flat angles C4'-P-C4' energy: -123.029 flat angles P-C4'-P energy: -67.171 tors. eta vs tors. theta energy: -5.472 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: 10, replica: 10 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -707.932463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.932463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.932463 (E_RNA) where: Base-Base interactions energy: -303.793 where: short stacking energy: -194.652 Base-Backbone interact. energy: 5.135 local terms energy: -409.273970 where: bonds (distance) C4'-P energy: -116.632 bonds (distance) P-C4' energy: -144.778 flat angles C4'-P-C4' energy: -104.285 flat angles P-C4'-P energy: -60.018 tors. eta vs tors. theta energy: 16.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -2653.903391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.903391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.903391 (E_RNA) where: Base-Base interactions energy: -1818.857 where: short stacking energy: -783.540 Base-Backbone interact. energy: -1.377 local terms energy: -833.669024 where: bonds (distance) C4'-P energy: -148.639 bonds (distance) P-C4' energy: -163.713 flat angles C4'-P-C4' energy: -167.217 flat angles P-C4'-P energy: -118.693 tors. eta vs tors. theta energy: -235.407 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: 7 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -2522.358178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.358178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.358178 (E_RNA) where: Base-Base interactions energy: -1709.095 where: short stacking energy: -745.587 Base-Backbone interact. energy: 0.323 local terms energy: -813.585886 where: bonds (distance) C4'-P energy: -162.970 bonds (distance) P-C4' energy: -160.143 flat angles C4'-P-C4' energy: -166.520 flat angles P-C4'-P energy: -110.657 tors. eta vs tors. theta energy: -213.296 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: 9 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2378.029927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.029927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.029927 (E_RNA) where: Base-Base interactions energy: -1600.581 where: short stacking energy: -680.849 Base-Backbone interact. energy: -1.391 local terms energy: -776.058047 where: bonds (distance) C4'-P energy: -136.459 bonds (distance) P-C4' energy: -155.124 flat angles C4'-P-C4' energy: -169.427 flat angles P-C4'-P energy: -113.944 tors. eta vs tors. theta energy: -201.104 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: 8 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2243.238547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.238547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.238547 (E_RNA) where: Base-Base interactions energy: -1519.339 where: short stacking energy: -625.627 Base-Backbone interact. energy: -3.129 local terms energy: -720.770685 where: bonds (distance) C4'-P energy: -139.791 bonds (distance) P-C4' energy: -160.362 flat angles C4'-P-C4' energy: -157.798 flat angles P-C4'-P energy: -93.820 tors. eta vs tors. theta energy: -169.000 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: 2 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2155.173539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.173539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.173539 (E_RNA) where: Base-Base interactions energy: -1474.681 where: short stacking energy: -618.420 Base-Backbone interact. energy: -3.584 local terms energy: -676.908692 where: bonds (distance) C4'-P energy: -130.187 bonds (distance) P-C4' energy: -132.937 flat angles C4'-P-C4' energy: -148.702 flat angles P-C4'-P energy: -88.828 tors. eta vs tors. theta energy: -176.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -2014.333713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.333713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.333713 (E_RNA) where: Base-Base interactions energy: -1356.949 where: short stacking energy: -611.518 Base-Backbone interact. energy: 0.011 local terms energy: -657.395890 where: bonds (distance) C4'-P energy: -137.652 bonds (distance) P-C4' energy: -120.165 flat angles C4'-P-C4' energy: -148.928 flat angles P-C4'-P energy: -76.402 tors. eta vs tors. theta energy: -174.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1728.882157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.882157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.882157 (E_RNA) where: Base-Base interactions energy: -1125.352 where: short stacking energy: -495.816 Base-Backbone interact. energy: 5.004 local terms energy: -608.534619 where: bonds (distance) C4'-P energy: -133.503 bonds (distance) P-C4' energy: -119.762 flat angles C4'-P-C4' energy: -137.697 flat angles P-C4'-P energy: -92.599 tors. eta vs tors. theta energy: -124.973 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: 8, replica: 5 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1296.719090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.719090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.719090 (E_RNA) where: Base-Base interactions energy: -799.291 where: short stacking energy: -378.568 Base-Backbone interact. energy: -2.530 local terms energy: -494.897831 where: bonds (distance) C4'-P energy: -110.701 bonds (distance) P-C4' energy: -130.411 flat angles C4'-P-C4' energy: -109.107 flat angles P-C4'-P energy: -77.240 tors. eta vs tors. theta energy: -67.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -895.284203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.284203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.284203 (E_RNA) where: Base-Base interactions energy: -465.935 where: short stacking energy: -255.052 Base-Backbone interact. energy: 2.061 local terms energy: -431.410052 where: bonds (distance) C4'-P energy: -123.602 bonds (distance) P-C4' energy: -117.953 flat angles C4'-P-C4' energy: -113.130 flat angles P-C4'-P energy: -62.162 tors. eta vs tors. theta energy: -14.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -649.637399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.637399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.637399 (E_RNA) where: Base-Base interactions energy: -306.524 where: short stacking energy: -199.401 Base-Backbone interact. energy: 1.687 local terms energy: -344.799834 where: bonds (distance) C4'-P energy: -108.685 bonds (distance) P-C4' energy: -127.984 flat angles C4'-P-C4' energy: -76.619 flat angles P-C4'-P energy: -53.929 tors. eta vs tors. theta energy: 22.416 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: 1, replica: 3 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -2660.790975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.790975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.790975 (E_RNA) where: Base-Base interactions energy: -1832.675 where: short stacking energy: -787.950 Base-Backbone interact. energy: -1.651 local terms energy: -826.465339 where: bonds (distance) C4'-P energy: -136.912 bonds (distance) P-C4' energy: -161.762 flat angles C4'-P-C4' energy: -168.744 flat angles P-C4'-P energy: -120.221 tors. eta vs tors. theta energy: -238.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -2489.424089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.424089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.424089 (E_RNA) where: Base-Base interactions energy: -1708.292 where: short stacking energy: -732.545 Base-Backbone interact. energy: -1.634 local terms energy: -779.497951 where: bonds (distance) C4'-P energy: -144.476 bonds (distance) P-C4' energy: -145.927 flat angles C4'-P-C4' energy: -163.282 flat angles P-C4'-P energy: -110.314 tors. eta vs tors. theta energy: -215.500 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: 453 Temperature: 1.000000 Total energy: -2400.203390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.203390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.203390 (E_RNA) where: Base-Base interactions energy: -1644.001 where: short stacking energy: -700.494 Base-Backbone interact. energy: 4.633 local terms energy: -760.835499 where: bonds (distance) C4'-P energy: -135.495 bonds (distance) P-C4' energy: -151.167 flat angles C4'-P-C4' energy: -154.835 flat angles P-C4'-P energy: -109.924 tors. eta vs tors. theta energy: -209.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2161.168926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.168926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.168926 (E_RNA) where: Base-Base interactions energy: -1449.978 where: short stacking energy: -633.984 Base-Backbone interact. energy: -3.495 local terms energy: -707.695854 where: bonds (distance) C4'-P energy: -129.601 bonds (distance) P-C4' energy: -140.412 flat angles C4'-P-C4' energy: -159.935 flat angles P-C4'-P energy: -105.708 tors. eta vs tors. theta energy: -172.040 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: 8 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2168.512819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.512819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.512819 (E_RNA) where: Base-Base interactions energy: -1485.122 where: short stacking energy: -595.732 Base-Backbone interact. energy: -3.057 local terms energy: -680.332981 where: bonds (distance) C4'-P energy: -132.576 bonds (distance) P-C4' energy: -146.735 flat angles C4'-P-C4' energy: -148.056 flat angles P-C4'-P energy: -93.368 tors. eta vs tors. theta energy: -159.598 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: 6, replica: 1 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1943.364712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.364712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.364712 (E_RNA) where: Base-Base interactions energy: -1323.745 where: short stacking energy: -593.960 Base-Backbone interact. energy: -1.198 local terms energy: -618.421203 where: bonds (distance) C4'-P energy: -119.883 bonds (distance) P-C4' energy: -134.478 flat angles C4'-P-C4' energy: -131.901 flat angles P-C4'-P energy: -72.119 tors. eta vs tors. theta energy: -160.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1709.459230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.459230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.459230 (E_RNA) where: Base-Base interactions energy: -1102.624 where: short stacking energy: -479.585 Base-Backbone interact. energy: -1.804 local terms energy: -605.030633 where: bonds (distance) C4'-P energy: -110.906 bonds (distance) P-C4' energy: -127.702 flat angles C4'-P-C4' energy: -148.120 flat angles P-C4'-P energy: -98.339 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: 8, replica: 5 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1302.665359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.665359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.665359 (E_RNA) where: Base-Base interactions energy: -807.128 where: short stacking energy: -382.705 Base-Backbone interact. energy: -0.538 local terms energy: -494.999091 where: bonds (distance) C4'-P energy: -107.513 bonds (distance) P-C4' energy: -118.458 flat angles C4'-P-C4' energy: -132.324 flat angles P-C4'-P energy: -73.664 tors. eta vs tors. theta energy: -63.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -929.527045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.527045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.527045 (E_RNA) where: Base-Base interactions energy: -459.070 where: short stacking energy: -253.338 Base-Backbone interact. energy: -1.699 local terms energy: -468.758024 where: bonds (distance) C4'-P energy: -146.964 bonds (distance) P-C4' energy: -107.690 flat angles C4'-P-C4' energy: -119.646 flat angles P-C4'-P energy: -76.693 tors. eta vs tors. theta energy: -17.765 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: 10, replica: 10 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -654.135781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.135781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.135781 (E_RNA) where: Base-Base interactions energy: -242.885 where: short stacking energy: -158.847 Base-Backbone interact. energy: 0.217 local terms energy: -411.467578 where: bonds (distance) C4'-P energy: -136.556 bonds (distance) P-C4' energy: -110.243 flat angles C4'-P-C4' energy: -122.418 flat angles P-C4'-P energy: -55.986 tors. eta vs tors. theta energy: 13.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -2678.994914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.994914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.994914 (E_RNA) where: Base-Base interactions energy: -1825.483 where: short stacking energy: -799.609 Base-Backbone interact. energy: -1.727 local terms energy: -851.785007 where: bonds (distance) C4'-P energy: -145.497 bonds (distance) P-C4' energy: -157.245 flat angles C4'-P-C4' energy: -182.352 flat angles P-C4'-P energy: -122.969 tors. eta vs tors. theta energy: -243.722 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: 2, replica: 7 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -2494.455323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.455323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.455323 (E_RNA) where: Base-Base interactions energy: -1697.860 where: short stacking energy: -725.186 Base-Backbone interact. energy: -3.449 local terms energy: -793.146872 where: bonds (distance) C4'-P energy: -143.962 bonds (distance) P-C4' energy: -165.287 flat angles C4'-P-C4' energy: -169.693 flat angles P-C4'-P energy: -106.036 tors. eta vs tors. theta energy: -208.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2381.450170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.450170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.450170 (E_RNA) where: Base-Base interactions energy: -1622.472 where: short stacking energy: -694.206 Base-Backbone interact. energy: -0.600 local terms energy: -758.378032 where: bonds (distance) C4'-P energy: -141.475 bonds (distance) P-C4' energy: -131.421 flat angles C4'-P-C4' energy: -172.949 flat angles P-C4'-P energy: -112.436 tors. eta vs tors. theta energy: -200.097 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: 4, replica: 2 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2162.872491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.872491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.872491 (E_RNA) where: Base-Base interactions energy: -1445.390 where: short stacking energy: -644.289 Base-Backbone interact. energy: -0.763 local terms energy: -717.774711 where: bonds (distance) C4'-P energy: -150.677 bonds (distance) P-C4' energy: -154.841 flat angles C4'-P-C4' energy: -158.522 flat angles P-C4'-P energy: -84.640 tors. eta vs tors. theta energy: -169.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.055 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -2179.286665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.286665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.286665 (E_RNA) where: Base-Base interactions energy: -1496.949 where: short stacking energy: -633.237 Base-Backbone interact. energy: -2.833 local terms energy: -679.504629 where: bonds (distance) C4'-P energy: -136.286 bonds (distance) P-C4' energy: -123.902 flat angles C4'-P-C4' energy: -160.068 flat angles P-C4'-P energy: -86.521 tors. eta vs tors. theta energy: -172.728 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: 1 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -2018.869196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.869196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.869196 (E_RNA) where: Base-Base interactions energy: -1375.626 where: short stacking energy: -597.228 Base-Backbone interact. energy: -4.738 local terms energy: -638.505581 where: bonds (distance) C4'-P energy: -110.208 bonds (distance) P-C4' energy: -136.591 flat angles C4'-P-C4' energy: -140.981 flat angles P-C4'-P energy: -87.797 tors. eta vs tors. theta energy: -162.930 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: 7, replica: 4 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1715.470397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.470397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.470397 (E_RNA) where: Base-Base interactions energy: -1114.632 where: short stacking energy: -508.254 Base-Backbone interact. energy: 3.227 local terms energy: -604.065338 where: bonds (distance) C4'-P energy: -133.885 bonds (distance) P-C4' energy: -132.186 flat angles C4'-P-C4' energy: -142.719 flat angles P-C4'-P energy: -68.241 tors. eta vs tors. theta energy: -127.033 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: 5 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1382.293192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.293192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.293192 (E_RNA) where: Base-Base interactions energy: -856.251 where: short stacking energy: -414.104 Base-Backbone interact. energy: 0.925 local terms energy: -526.967390 where: bonds (distance) C4'-P energy: -120.907 bonds (distance) P-C4' energy: -111.856 flat angles C4'-P-C4' energy: -130.034 flat angles P-C4'-P energy: -82.867 tors. eta vs tors. theta energy: -81.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -883.108013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.108013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.108013 (E_RNA) where: Base-Base interactions energy: -452.180 where: short stacking energy: -261.700 Base-Backbone interact. energy: -0.502 local terms energy: -430.426006 where: bonds (distance) C4'-P energy: -113.068 bonds (distance) P-C4' energy: -115.255 flat angles C4'-P-C4' energy: -104.880 flat angles P-C4'-P energy: -75.287 tors. eta vs tors. theta energy: -21.936 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: 454 Temperature: 1.350000 Total energy: -673.680392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.680392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.680392 (E_RNA) where: Base-Base interactions energy: -296.225 where: short stacking energy: -200.374 Base-Backbone interact. energy: 5.217 local terms energy: -382.671785 where: bonds (distance) C4'-P energy: -106.755 bonds (distance) P-C4' energy: -127.599 flat angles C4'-P-C4' energy: -90.459 flat angles P-C4'-P energy: -65.127 tors. eta vs tors. theta energy: 7.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -2659.276595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.276595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.276595 (E_RNA) where: Base-Base interactions energy: -1812.375 where: short stacking energy: -766.738 Base-Backbone interact. energy: -3.455 local terms energy: -843.446732 where: bonds (distance) C4'-P energy: -144.282 bonds (distance) P-C4' energy: -152.687 flat angles C4'-P-C4' energy: -180.582 flat angles P-C4'-P energy: -120.009 tors. eta vs tors. theta energy: -245.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -2476.553805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.553805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.553805 (E_RNA) where: Base-Base interactions energy: -1684.831 where: short stacking energy: -742.895 Base-Backbone interact. energy: -2.512 local terms energy: -789.211464 where: bonds (distance) C4'-P energy: -140.908 bonds (distance) P-C4' energy: -151.201 flat angles C4'-P-C4' energy: -174.261 flat angles P-C4'-P energy: -113.995 tors. eta vs tors. theta energy: -208.846 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: 9 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2387.511407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.511407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.511407 (E_RNA) where: Base-Base interactions energy: -1614.292 where: short stacking energy: -707.876 Base-Backbone interact. energy: 0.420 local terms energy: -773.639227 where: bonds (distance) C4'-P energy: -149.003 bonds (distance) P-C4' energy: -150.609 flat angles C4'-P-C4' energy: -158.095 flat angles P-C4'-P energy: -110.190 tors. eta vs tors. theta energy: -205.742 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: 2 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2138.284933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.284933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.284933 (E_RNA) where: Base-Base interactions energy: -1449.728 where: short stacking energy: -645.996 Base-Backbone interact. energy: -3.121 local terms energy: -685.493902 where: bonds (distance) C4'-P energy: -123.946 bonds (distance) P-C4' energy: -140.525 flat angles C4'-P-C4' energy: -150.950 flat angles P-C4'-P energy: -98.150 tors. eta vs tors. theta energy: -171.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.058 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2111.047025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.047025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.047025 (E_RNA) where: Base-Base interactions energy: -1429.236 where: short stacking energy: -616.175 Base-Backbone interact. energy: -4.096 local terms energy: -677.715640 where: bonds (distance) C4'-P energy: -132.815 bonds (distance) P-C4' energy: -142.662 flat angles C4'-P-C4' energy: -160.139 flat angles P-C4'-P energy: -71.725 tors. eta vs tors. theta energy: -170.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -2004.174514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.174514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.174514 (E_RNA) where: Base-Base interactions energy: -1371.228 where: short stacking energy: -596.339 Base-Backbone interact. energy: -0.950 local terms energy: -631.996552 where: bonds (distance) C4'-P energy: -134.806 bonds (distance) P-C4' energy: -113.109 flat angles C4'-P-C4' energy: -144.648 flat angles P-C4'-P energy: -95.126 tors. eta vs tors. theta energy: -144.309 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: 4 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1702.426560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.426560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.426560 (E_RNA) where: Base-Base interactions energy: -1140.046 where: short stacking energy: -519.964 Base-Backbone interact. energy: -0.129 local terms energy: -562.251806 where: bonds (distance) C4'-P energy: -103.555 bonds (distance) P-C4' energy: -121.279 flat angles C4'-P-C4' energy: -104.131 flat angles P-C4'-P energy: -97.790 tors. eta vs tors. theta energy: -135.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1447.245364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.245364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.245364 (E_RNA) where: Base-Base interactions energy: -934.815 where: short stacking energy: -460.163 Base-Backbone interact. energy: 0.762 local terms energy: -513.192657 where: bonds (distance) C4'-P energy: -112.261 bonds (distance) P-C4' energy: -131.521 flat angles C4'-P-C4' energy: -112.621 flat angles P-C4'-P energy: -58.616 tors. eta vs tors. theta energy: -98.173 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: 6 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -862.002625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.002625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.002625 (E_RNA) where: Base-Base interactions energy: -463.465 where: short stacking energy: -235.258 Base-Backbone interact. energy: -0.579 local terms energy: -397.958137 where: bonds (distance) C4'-P energy: -111.579 bonds (distance) P-C4' energy: -127.651 flat angles C4'-P-C4' energy: -104.014 flat angles P-C4'-P energy: -51.913 tors. eta vs tors. theta energy: -2.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -686.585200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.585200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.585200 (E_RNA) where: Base-Base interactions energy: -331.840 where: short stacking energy: -193.190 Base-Backbone interact. energy: 0.579 local terms energy: -355.324077 where: bonds (distance) C4'-P energy: -112.050 bonds (distance) P-C4' energy: -114.260 flat angles C4'-P-C4' energy: -87.259 flat angles P-C4'-P energy: -52.700 tors. eta vs tors. theta energy: 10.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -2668.951170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.951170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.951170 (E_RNA) where: Base-Base interactions energy: -1817.742 where: short stacking energy: -773.419 Base-Backbone interact. energy: -3.124 local terms energy: -848.084995 where: bonds (distance) C4'-P energy: -155.240 bonds (distance) P-C4' energy: -153.389 flat angles C4'-P-C4' energy: -177.230 flat angles P-C4'-P energy: -121.986 tors. eta vs tors. theta energy: -240.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -2477.867783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.867783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.867783 (E_RNA) where: Base-Base interactions energy: -1686.176 where: short stacking energy: -750.114 Base-Backbone interact. energy: -2.012 local terms energy: -789.679779 where: bonds (distance) C4'-P energy: -135.825 bonds (distance) P-C4' energy: -159.397 flat angles C4'-P-C4' energy: -179.310 flat angles P-C4'-P energy: -108.113 tors. eta vs tors. theta energy: -207.036 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: 3, replica: 9 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2410.108911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.108911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.108911 (E_RNA) where: Base-Base interactions energy: -1622.524 where: short stacking energy: -693.510 Base-Backbone interact. energy: -1.461 local terms energy: -786.123668 where: bonds (distance) C4'-P energy: -139.298 bonds (distance) P-C4' energy: -154.590 flat angles C4'-P-C4' energy: -174.334 flat angles P-C4'-P energy: -111.666 tors. eta vs tors. theta energy: -206.236 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: 2 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2270.883122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.883122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.883122 (E_RNA) where: Base-Base interactions energy: -1565.816 where: short stacking energy: -642.717 Base-Backbone interact. energy: -3.337 local terms energy: -701.730101 where: bonds (distance) C4'-P energy: -126.582 bonds (distance) P-C4' energy: -145.923 flat angles C4'-P-C4' energy: -150.811 flat angles P-C4'-P energy: -100.668 tors. eta vs tors. theta energy: -177.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2088.281136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.281136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.281136 (E_RNA) where: Base-Base interactions energy: -1438.048 where: short stacking energy: -614.352 Base-Backbone interact. energy: 0.929 local terms energy: -651.162216 where: bonds (distance) C4'-P energy: -124.606 bonds (distance) P-C4' energy: -132.758 flat angles C4'-P-C4' energy: -146.726 flat angles P-C4'-P energy: -76.063 tors. eta vs tors. theta energy: -171.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -2022.203821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.203821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.203821 (E_RNA) where: Base-Base interactions energy: -1384.081 where: short stacking energy: -590.988 Base-Backbone interact. energy: -0.560 local terms energy: -637.563211 where: bonds (distance) C4'-P energy: -122.674 bonds (distance) P-C4' energy: -113.949 flat angles C4'-P-C4' energy: -154.730 flat angles P-C4'-P energy: -83.948 tors. eta vs tors. theta energy: -162.262 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: 4 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1691.532890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.532890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.532890 (E_RNA) where: Base-Base interactions energy: -1092.012 where: short stacking energy: -474.614 Base-Backbone interact. energy: -0.835 local terms energy: -598.685181 where: bonds (distance) C4'-P energy: -122.833 bonds (distance) P-C4' energy: -139.530 flat angles C4'-P-C4' energy: -135.897 flat angles P-C4'-P energy: -93.675 tors. eta vs tors. theta energy: -106.750 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: 5 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1405.305693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.305693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.305693 (E_RNA) where: Base-Base interactions energy: -903.136 where: short stacking energy: -406.951 Base-Backbone interact. energy: -1.555 local terms energy: -500.614691 where: bonds (distance) C4'-P energy: -114.831 bonds (distance) P-C4' energy: -107.829 flat angles C4'-P-C4' energy: -119.030 flat angles P-C4'-P energy: -70.073 tors. eta vs tors. theta energy: -88.852 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: 6 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -873.904329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.904329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.904329 (E_RNA) where: Base-Base interactions energy: -429.926 where: short stacking energy: -216.826 Base-Backbone interact. energy: -3.571 local terms energy: -440.407305 where: bonds (distance) C4'-P energy: -136.671 bonds (distance) P-C4' energy: -126.786 flat angles C4'-P-C4' energy: -110.012 flat angles P-C4'-P energy: -74.690 tors. eta vs tors. theta energy: 7.752 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: 10 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -697.709699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.709699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.709699 (E_RNA) where: Base-Base interactions energy: -299.584 where: short stacking energy: -190.569 Base-Backbone interact. energy: 1.471 local terms energy: -401.871922 where: bonds (distance) C4'-P energy: -96.585 bonds (distance) P-C4' energy: -144.226 flat angles C4'-P-C4' energy: -124.112 flat angles P-C4'-P energy: -57.292 tors. eta vs tors. theta energy: 20.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 2.276 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -2647.300799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.300799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.300799 (E_RNA) where: Base-Base interactions energy: -1811.711 where: short stacking energy: -787.569 Base-Backbone interact. energy: -6.612 local terms energy: -829.913170 where: bonds (distance) C4'-P energy: -134.660 bonds (distance) P-C4' energy: -143.419 flat angles C4'-P-C4' energy: -181.822 flat angles P-C4'-P energy: -125.822 tors. eta vs tors. theta energy: -244.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.935 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -2465.490648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.490648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.490648 (E_RNA) where: Base-Base interactions energy: -1713.381 where: short stacking energy: -731.587 Base-Backbone interact. energy: -1.879 local terms energy: -750.231008 where: bonds (distance) C4'-P energy: -136.938 bonds (distance) P-C4' energy: -142.681 flat angles C4'-P-C4' energy: -165.783 flat angles P-C4'-P energy: -95.563 tors. eta vs tors. theta energy: -209.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2405.967028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.967028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.967028 (E_RNA) where: Base-Base interactions energy: -1638.265 where: short stacking energy: -708.453 Base-Backbone interact. energy: -1.408 local terms energy: -766.293320 where: bonds (distance) C4'-P energy: -139.798 bonds (distance) P-C4' energy: -145.784 flat angles C4'-P-C4' energy: -158.939 flat angles P-C4'-P energy: -110.474 tors. eta vs tors. theta energy: -211.298 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: 2 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2225.602568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.602568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.602568 (E_RNA) where: Base-Base interactions energy: -1483.339 where: short stacking energy: -621.179 Base-Backbone interact. energy: -3.052 local terms energy: -740.054737 where: bonds (distance) C4'-P energy: -135.976 bonds (distance) P-C4' energy: -143.041 flat angles C4'-P-C4' energy: -173.880 flat angles P-C4'-P energy: -107.941 tors. eta vs tors. theta energy: -179.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.843 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -2093.640115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.640115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.640115 (E_RNA) where: Base-Base interactions energy: -1418.222 where: short stacking energy: -588.522 Base-Backbone interact. energy: -1.453 local terms energy: -673.964264 where: bonds (distance) C4'-P energy: -141.284 bonds (distance) P-C4' energy: -126.697 flat angles C4'-P-C4' energy: -148.390 flat angles P-C4'-P energy: -99.943 tors. eta vs tors. theta energy: -157.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -2049.280139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.280139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.280139 (E_RNA) where: Base-Base interactions energy: -1410.506 where: short stacking energy: -618.807 Base-Backbone interact. energy: -0.879 local terms energy: -637.895018 where: bonds (distance) C4'-P energy: -104.697 bonds (distance) P-C4' energy: -121.798 flat angles C4'-P-C4' energy: -146.754 flat angles P-C4'-P energy: -94.742 tors. eta vs tors. theta energy: -169.904 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: 4 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1666.872851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.872851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.872851 (E_RNA) where: Base-Base interactions energy: -1085.984 where: short stacking energy: -484.678 Base-Backbone interact. energy: -1.243 local terms energy: -579.645976 where: bonds (distance) C4'-P energy: -129.861 bonds (distance) P-C4' energy: -125.565 flat angles C4'-P-C4' energy: -141.351 flat angles P-C4'-P energy: -64.979 tors. eta vs tors. theta energy: -117.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1556.588050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.588050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.588050 (E_RNA) where: Base-Base interactions energy: -1009.295 where: short stacking energy: -452.642 Base-Backbone interact. energy: 1.855 local terms energy: -549.147432 where: bonds (distance) C4'-P energy: -118.746 bonds (distance) P-C4' energy: -114.298 flat angles C4'-P-C4' energy: -135.179 flat angles P-C4'-P energy: -72.496 tors. eta vs tors. theta energy: -108.428 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: 6 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -862.250880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.250880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.250880 (E_RNA) where: Base-Base interactions energy: -433.102 where: short stacking energy: -236.628 Base-Backbone interact. energy: -2.569 local terms energy: -426.579523 where: bonds (distance) C4'-P energy: -120.412 bonds (distance) P-C4' energy: -110.314 flat angles C4'-P-C4' energy: -115.045 flat angles P-C4'-P energy: -74.601 tors. eta vs tors. theta energy: -6.208 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: 10, replica: 10 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -716.619801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.619801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.619801 (E_RNA) where: Base-Base interactions energy: -296.730 where: short stacking energy: -204.260 Base-Backbone interact. energy: 2.298 local terms energy: -422.187369 where: bonds (distance) C4'-P energy: -118.079 bonds (distance) P-C4' energy: -129.578 flat angles C4'-P-C4' energy: -105.742 flat angles P-C4'-P energy: -78.036 tors. eta vs tors. theta energy: 9.247 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: 3 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -2666.306091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.306091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.306091 (E_RNA) where: Base-Base interactions energy: -1821.873 where: short stacking energy: -786.703 Base-Backbone interact. energy: -2.659 local terms energy: -841.773571 where: bonds (distance) C4'-P energy: -156.359 bonds (distance) P-C4' energy: -138.744 flat angles C4'-P-C4' energy: -175.414 flat angles P-C4'-P energy: -132.469 tors. eta vs tors. theta energy: -238.788 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: 7 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -2485.524645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.524645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.524645 (E_RNA) where: Base-Base interactions energy: -1699.461 where: short stacking energy: -725.811 Base-Backbone interact. energy: -2.286 local terms energy: -783.778600 where: bonds (distance) C4'-P energy: -128.383 bonds (distance) P-C4' energy: -166.757 flat angles C4'-P-C4' energy: -168.907 flat angles P-C4'-P energy: -108.648 tors. eta vs tors. theta energy: -211.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2425.294186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.294186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.294186 (E_RNA) where: Base-Base interactions energy: -1636.048 where: short stacking energy: -734.200 Base-Backbone interact. energy: 2.382 local terms energy: -791.628439 where: bonds (distance) C4'-P energy: -133.738 bonds (distance) P-C4' energy: -150.348 flat angles C4'-P-C4' energy: -168.287 flat angles P-C4'-P energy: -119.686 tors. eta vs tors. theta energy: -219.569 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: 2 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2230.440737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.440737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.440737 (E_RNA) where: Base-Base interactions energy: -1511.590 where: short stacking energy: -661.857 Base-Backbone interact. energy: -3.805 local terms energy: -715.045359 where: bonds (distance) C4'-P energy: -135.941 bonds (distance) P-C4' energy: -139.115 flat angles C4'-P-C4' energy: -157.806 flat angles P-C4'-P energy: -85.321 tors. eta vs tors. theta energy: -196.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -2133.561257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.561257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.561257 (E_RNA) where: Base-Base interactions energy: -1466.914 where: short stacking energy: -611.828 Base-Backbone interact. energy: -1.599 local terms energy: -665.048532 where: bonds (distance) C4'-P energy: -135.423 bonds (distance) P-C4' energy: -119.716 flat angles C4'-P-C4' energy: -149.010 flat angles P-C4'-P energy: -110.889 tors. eta vs tors. theta energy: -150.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -2038.500984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.500984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.500984 (E_RNA) where: Base-Base interactions energy: -1350.134 where: short stacking energy: -603.121 Base-Backbone interact. energy: -1.272 local terms energy: -687.095013 where: bonds (distance) C4'-P energy: -129.783 bonds (distance) P-C4' energy: -147.460 flat angles C4'-P-C4' energy: -146.588 flat angles P-C4'-P energy: -99.216 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: 7, replica: 4 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1611.557808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.557808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.557808 (E_RNA) where: Base-Base interactions energy: -1058.018 where: short stacking energy: -474.302 Base-Backbone interact. energy: -0.018 local terms energy: -553.522213 where: bonds (distance) C4'-P energy: -114.858 bonds (distance) P-C4' energy: -122.604 flat angles C4'-P-C4' energy: -117.393 flat angles P-C4'-P energy: -91.378 tors. eta vs tors. theta energy: -107.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1507.719529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.719529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.719529 (E_RNA) where: Base-Base interactions energy: -982.488 where: short stacking energy: -452.296 Base-Backbone interact. energy: -3.104 local terms energy: -522.127371 where: bonds (distance) C4'-P energy: -111.282 bonds (distance) P-C4' energy: -126.976 flat angles C4'-P-C4' energy: -109.764 flat angles P-C4'-P energy: -76.121 tors. eta vs tors. theta energy: -97.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -884.246197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.246197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.246197 (E_RNA) where: Base-Base interactions energy: -448.916 where: short stacking energy: -245.324 Base-Backbone interact. energy: -2.834 local terms energy: -432.496298 where: bonds (distance) C4'-P energy: -134.494 bonds (distance) P-C4' energy: -122.274 flat angles C4'-P-C4' energy: -122.996 flat angles P-C4'-P energy: -53.443 tors. eta vs tors. theta energy: 0.711 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: 458 Temperature: 1.350000 Total energy: -769.045031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.045031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.045031 (E_RNA) where: Base-Base interactions energy: -380.429 where: short stacking energy: -234.471 Base-Backbone interact. energy: 0.487 local terms energy: -389.103126 where: bonds (distance) C4'-P energy: -109.439 bonds (distance) P-C4' energy: -128.156 flat angles C4'-P-C4' energy: -104.816 flat angles P-C4'-P energy: -54.451 tors. eta vs tors. theta energy: 7.759 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: 3 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -2645.345534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.345534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.345534 (E_RNA) where: Base-Base interactions energy: -1812.218 where: short stacking energy: -773.228 Base-Backbone interact. energy: -0.588 local terms energy: -832.540348 where: bonds (distance) C4'-P energy: -154.485 bonds (distance) P-C4' energy: -161.547 flat angles C4'-P-C4' energy: -179.473 flat angles P-C4'-P energy: -104.030 tors. eta vs tors. theta energy: -233.004 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: 9 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -2477.679426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.679426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.679426 (E_RNA) where: Base-Base interactions energy: -1693.406 where: short stacking energy: -734.287 Base-Backbone interact. energy: 0.723 local terms energy: -784.995920 where: bonds (distance) C4'-P energy: -147.734 bonds (distance) P-C4' energy: -148.031 flat angles C4'-P-C4' energy: -161.395 flat angles P-C4'-P energy: -108.448 tors. eta vs tors. theta energy: -219.388 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: 3, replica: 7 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2468.857382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.857382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.857382 (E_RNA) where: Base-Base interactions energy: -1684.199 where: short stacking energy: -723.335 Base-Backbone interact. energy: -3.589 local terms energy: -781.069378 where: bonds (distance) C4'-P energy: -139.741 bonds (distance) P-C4' energy: -151.547 flat angles C4'-P-C4' energy: -166.043 flat angles P-C4'-P energy: -98.698 tors. eta vs tors. theta energy: -225.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2238.573039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.573039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.573039 (E_RNA) where: Base-Base interactions energy: -1522.774 where: short stacking energy: -652.013 Base-Backbone interact. energy: -1.099 local terms energy: -714.700452 where: bonds (distance) C4'-P energy: -153.646 bonds (distance) P-C4' energy: -126.446 flat angles C4'-P-C4' energy: -146.077 flat angles P-C4'-P energy: -90.564 tors. eta vs tors. theta energy: -197.967 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: 8 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2149.304918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.304918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.304918 (E_RNA) where: Base-Base interactions energy: -1497.141 where: short stacking energy: -631.734 Base-Backbone interact. energy: 2.246 local terms energy: -654.409561 where: bonds (distance) C4'-P energy: -105.367 bonds (distance) P-C4' energy: -135.694 flat angles C4'-P-C4' energy: -145.608 flat angles P-C4'-P energy: -104.034 tors. eta vs tors. theta energy: -163.707 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: 1 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -2012.253507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.253507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.253507 (E_RNA) where: Base-Base interactions energy: -1334.037 where: short stacking energy: -636.543 Base-Backbone interact. energy: -0.197 local terms energy: -678.020113 where: bonds (distance) C4'-P energy: -131.747 bonds (distance) P-C4' energy: -143.268 flat angles C4'-P-C4' energy: -149.909 flat angles P-C4'-P energy: -81.208 tors. eta vs tors. theta energy: -171.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1758.628835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.628835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.628835 (E_RNA) where: Base-Base interactions energy: -1153.113 where: short stacking energy: -515.791 Base-Backbone interact. energy: 2.775 local terms energy: -608.291805 where: bonds (distance) C4'-P energy: -136.242 bonds (distance) P-C4' energy: -127.475 flat angles C4'-P-C4' energy: -140.332 flat angles P-C4'-P energy: -89.872 tors. eta vs tors. theta energy: -114.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1424.059004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.059004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.059004 (E_RNA) where: Base-Base interactions energy: -870.050 where: short stacking energy: -373.812 Base-Backbone interact. energy: 1.415 local terms energy: -555.423623 where: bonds (distance) C4'-P energy: -133.415 bonds (distance) P-C4' energy: -122.770 flat angles C4'-P-C4' energy: -137.290 flat angles P-C4'-P energy: -91.798 tors. eta vs tors. theta energy: -70.151 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: 6 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -966.960491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.960491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.960491 (E_RNA) where: Base-Base interactions energy: -520.137 where: short stacking energy: -265.753 Base-Backbone interact. energy: -0.056 local terms energy: -446.767554 where: bonds (distance) C4'-P energy: -116.271 bonds (distance) P-C4' energy: -137.595 flat angles C4'-P-C4' energy: -112.899 flat angles P-C4'-P energy: -56.867 tors. eta vs tors. theta energy: -23.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -717.602842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.602842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.602842 (E_RNA) where: Base-Base interactions energy: -302.429 where: short stacking energy: -178.200 Base-Backbone interact. energy: 0.751 local terms energy: -415.924900 where: bonds (distance) C4'-P energy: -114.772 bonds (distance) P-C4' energy: -128.889 flat angles C4'-P-C4' energy: -122.338 flat angles P-C4'-P energy: -59.800 tors. eta vs tors. theta energy: 9.875 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: 3 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -2677.580404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.580404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.580404 (E_RNA) where: Base-Base interactions energy: -1836.031 where: short stacking energy: -799.754 Base-Backbone interact. energy: 2.540 local terms energy: -844.089068 where: bonds (distance) C4'-P energy: -157.725 bonds (distance) P-C4' energy: -138.696 flat angles C4'-P-C4' energy: -179.694 flat angles P-C4'-P energy: -125.963 tors. eta vs tors. theta energy: -242.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2457.428014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.428014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.428014 (E_RNA) where: Base-Base interactions energy: -1674.832 where: short stacking energy: -719.780 Base-Backbone interact. energy: -1.497 local terms energy: -781.099374 where: bonds (distance) C4'-P energy: -148.498 bonds (distance) P-C4' energy: -149.217 flat angles C4'-P-C4' energy: -164.491 flat angles P-C4'-P energy: -103.261 tors. eta vs tors. theta energy: -215.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2469.694153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.694153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.694153 (E_RNA) where: Base-Base interactions energy: -1717.845 where: short stacking energy: -742.080 Base-Backbone interact. energy: 1.217 local terms energy: -753.415579 where: bonds (distance) C4'-P energy: -120.973 bonds (distance) P-C4' energy: -143.723 flat angles C4'-P-C4' energy: -162.923 flat angles P-C4'-P energy: -107.392 tors. eta vs tors. theta energy: -218.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.349 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2223.100618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.100618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.100618 (E_RNA) where: Base-Base interactions energy: -1491.514 where: short stacking energy: -668.504 Base-Backbone interact. energy: -2.284 local terms energy: -729.302974 where: bonds (distance) C4'-P energy: -142.261 bonds (distance) P-C4' energy: -157.166 flat angles C4'-P-C4' energy: -149.216 flat angles P-C4'-P energy: -87.072 tors. eta vs tors. theta energy: -193.587 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: 5, replica: 8 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2189.509222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.509222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.509222 (E_RNA) where: Base-Base interactions energy: -1527.734 where: short stacking energy: -624.818 Base-Backbone interact. energy: -1.578 local terms energy: -660.197890 where: bonds (distance) C4'-P energy: -113.751 bonds (distance) P-C4' energy: -122.622 flat angles C4'-P-C4' energy: -162.852 flat angles P-C4'-P energy: -98.002 tors. eta vs tors. theta energy: -162.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -2016.819916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.819916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.819916 (E_RNA) where: Base-Base interactions energy: -1349.278 where: short stacking energy: -611.255 Base-Backbone interact. energy: -0.924 local terms energy: -666.617537 where: bonds (distance) C4'-P energy: -131.592 bonds (distance) P-C4' energy: -124.941 flat angles C4'-P-C4' energy: -140.135 flat angles P-C4'-P energy: -75.804 tors. eta vs tors. theta energy: -194.145 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: 4 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1789.690428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.690428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.690428 (E_RNA) where: Base-Base interactions energy: -1168.410 where: short stacking energy: -530.121 Base-Backbone interact. energy: -3.982 local terms energy: -617.298708 where: bonds (distance) C4'-P energy: -116.647 bonds (distance) P-C4' energy: -142.923 flat angles C4'-P-C4' energy: -156.912 flat angles P-C4'-P energy: -75.252 tors. eta vs tors. theta energy: -125.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1389.688593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.688593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.688593 (E_RNA) where: Base-Base interactions energy: -863.147 where: short stacking energy: -414.214 Base-Backbone interact. energy: -0.102 local terms energy: -526.439551 where: bonds (distance) C4'-P energy: -119.160 bonds (distance) P-C4' energy: -114.477 flat angles C4'-P-C4' energy: -129.793 flat angles P-C4'-P energy: -83.644 tors. eta vs tors. theta energy: -79.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -917.160943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.160943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.160943 (E_RNA) where: Base-Base interactions energy: -492.918 where: short stacking energy: -287.529 Base-Backbone interact. energy: -0.835 local terms energy: -423.408346 where: bonds (distance) C4'-P energy: -123.118 bonds (distance) P-C4' energy: -125.750 flat angles C4'-P-C4' energy: -89.164 flat angles P-C4'-P energy: -59.173 tors. eta vs tors. theta energy: -26.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -711.871630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.871630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.871630 (E_RNA) where: Base-Base interactions energy: -341.975 where: short stacking energy: -214.849 Base-Backbone interact. energy: 5.828 local terms energy: -375.724754 where: bonds (distance) C4'-P energy: -118.286 bonds (distance) P-C4' energy: -118.689 flat angles C4'-P-C4' energy: -88.142 flat angles P-C4'-P energy: -64.577 tors. eta vs tors. theta energy: 13.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -2628.880541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.880541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.880541 (E_RNA) where: Base-Base interactions energy: -1817.679 where: short stacking energy: -796.985 Base-Backbone interact. energy: 0.761 local terms energy: -811.962508 where: bonds (distance) C4'-P energy: -140.386 bonds (distance) P-C4' energy: -153.221 flat angles C4'-P-C4' energy: -165.883 flat angles P-C4'-P energy: -117.206 tors. eta vs tors. theta energy: -235.268 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: 7 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -2467.941814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.941814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.941814 (E_RNA) where: Base-Base interactions energy: -1693.572 where: short stacking energy: -736.113 Base-Backbone interact. energy: -1.009 local terms energy: -773.360352 where: bonds (distance) C4'-P energy: -136.955 bonds (distance) P-C4' energy: -137.817 flat angles C4'-P-C4' energy: -165.647 flat angles P-C4'-P energy: -118.465 tors. eta vs tors. theta energy: -214.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2418.266963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.266963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.266963 (E_RNA) where: Base-Base interactions energy: -1651.811 where: short stacking energy: -702.471 Base-Backbone interact. energy: -2.155 local terms energy: -764.301351 where: bonds (distance) C4'-P energy: -136.712 bonds (distance) P-C4' energy: -149.177 flat angles C4'-P-C4' energy: -161.609 flat angles P-C4'-P energy: -109.744 tors. eta vs tors. theta energy: -207.060 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: 2 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2254.769595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.769595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.769595 (E_RNA) where: Base-Base interactions energy: -1549.713 where: short stacking energy: -665.712 Base-Backbone interact. energy: 3.927 local terms energy: -708.983161 where: bonds (distance) C4'-P energy: -124.044 bonds (distance) P-C4' energy: -131.513 flat angles C4'-P-C4' energy: -150.091 flat angles P-C4'-P energy: -111.859 tors. eta vs tors. theta energy: -191.476 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: 5, replica: 8 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -2211.618051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.618051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.618051 (E_RNA) where: Base-Base interactions energy: -1520.841 where: short stacking energy: -635.115 Base-Backbone interact. energy: 0.227 local terms energy: -691.004604 where: bonds (distance) C4'-P energy: -132.392 bonds (distance) P-C4' energy: -148.284 flat angles C4'-P-C4' energy: -146.514 flat angles P-C4'-P energy: -95.356 tors. eta vs tors. theta energy: -168.458 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: 1 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -2043.733162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.733162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.733162 (E_RNA) where: Base-Base interactions energy: -1377.091 where: short stacking energy: -594.640 Base-Backbone interact. energy: -3.877 local terms energy: -662.764325 where: bonds (distance) C4'-P energy: -122.788 bonds (distance) P-C4' energy: -131.268 flat angles C4'-P-C4' energy: -145.095 flat angles P-C4'-P energy: -103.315 tors. eta vs tors. theta energy: -160.298 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: 4 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1773.814923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.814923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.814923 (E_RNA) where: Base-Base interactions energy: -1171.843 where: short stacking energy: -525.122 Base-Backbone interact. energy: -3.877 local terms energy: -598.094778 where: bonds (distance) C4'-P energy: -119.914 bonds (distance) P-C4' energy: -130.401 flat angles C4'-P-C4' energy: -139.871 flat angles P-C4'-P energy: -74.963 tors. eta vs tors. theta energy: -132.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1404.735255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.735255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.735255 (E_RNA) where: Base-Base interactions energy: -887.296 where: short stacking energy: -417.905 Base-Backbone interact. energy: 6.147 local terms energy: -523.586594 where: bonds (distance) C4'-P energy: -132.277 bonds (distance) P-C4' energy: -128.966 flat angles C4'-P-C4' energy: -116.457 flat angles P-C4'-P energy: -85.214 tors. eta vs tors. theta energy: -60.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -909.351546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.351546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.351546 (E_RNA) where: Base-Base interactions energy: -469.449 where: short stacking energy: -275.653 Base-Backbone interact. energy: -4.101 local terms energy: -435.800956 where: bonds (distance) C4'-P energy: -108.507 bonds (distance) P-C4' energy: -126.609 flat angles C4'-P-C4' energy: -111.567 flat angles P-C4'-P energy: -77.472 tors. eta vs tors. theta energy: -11.645 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: 10 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -714.286109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.286109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.286109 (E_RNA) where: Base-Base interactions energy: -321.533 where: short stacking energy: -201.637 Base-Backbone interact. energy: -1.493 local terms energy: -391.259443 where: bonds (distance) C4'-P energy: -118.585 bonds (distance) P-C4' energy: -117.733 flat angles C4'-P-C4' energy: -89.518 flat angles P-C4'-P energy: -74.713 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: 1, replica: 3 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -2661.148365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.148365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.148365 (E_RNA) where: Base-Base interactions energy: -1840.508 where: short stacking energy: -781.705 Base-Backbone interact. energy: -0.504 local terms energy: -820.136888 where: bonds (distance) C4'-P energy: -146.493 bonds (distance) P-C4' energy: -152.926 flat angles C4'-P-C4' energy: -165.615 flat angles P-C4'-P energy: -111.187 tors. eta vs tors. theta energy: -243.916 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: 462 Temperature: 0.950000 Total energy: -2502.413861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.413861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.413861 (E_RNA) where: Base-Base interactions energy: -1708.264 where: short stacking energy: -762.108 Base-Backbone interact. energy: 1.425 local terms energy: -795.574949 where: bonds (distance) C4'-P energy: -156.034 bonds (distance) P-C4' energy: -153.830 flat angles C4'-P-C4' energy: -151.819 flat angles P-C4'-P energy: -112.625 tors. eta vs tors. theta energy: -221.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -2402.295924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.295924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.295924 (E_RNA) where: Base-Base interactions energy: -1626.856 where: short stacking energy: -683.063 Base-Backbone interact. energy: -3.187 local terms energy: -772.252470 where: bonds (distance) C4'-P energy: -145.190 bonds (distance) P-C4' energy: -149.982 flat angles C4'-P-C4' energy: -155.424 flat angles P-C4'-P energy: -113.119 tors. eta vs tors. theta energy: -208.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -2236.338834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.338834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.338834 (E_RNA) where: Base-Base interactions energy: -1512.069 where: short stacking energy: -642.142 Base-Backbone interact. energy: -2.420 local terms energy: -721.849280 where: bonds (distance) C4'-P energy: -125.101 bonds (distance) P-C4' energy: -133.200 flat angles C4'-P-C4' energy: -163.268 flat angles P-C4'-P energy: -109.286 tors. eta vs tors. theta energy: -190.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -2157.549238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.549238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.549238 (E_RNA) where: Base-Base interactions energy: -1484.190 where: short stacking energy: -590.173 Base-Backbone interact. energy: -3.117 local terms energy: -670.242733 where: bonds (distance) C4'-P energy: -147.439 bonds (distance) P-C4' energy: -136.150 flat angles C4'-P-C4' energy: -137.849 flat angles P-C4'-P energy: -86.884 tors. eta vs tors. theta energy: -161.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1996.256126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.256126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.256126 (E_RNA) where: Base-Base interactions energy: -1337.219 where: short stacking energy: -579.407 Base-Backbone interact. energy: -0.392 local terms energy: -658.645168 where: bonds (distance) C4'-P energy: -127.064 bonds (distance) P-C4' energy: -116.403 flat angles C4'-P-C4' energy: -151.697 flat angles P-C4'-P energy: -108.852 tors. eta vs tors. theta energy: -154.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1786.944729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.944729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.944729 (E_RNA) where: Base-Base interactions energy: -1192.242 where: short stacking energy: -515.240 Base-Backbone interact. energy: -2.278 local terms energy: -592.425589 where: bonds (distance) C4'-P energy: -126.293 bonds (distance) P-C4' energy: -116.719 flat angles C4'-P-C4' energy: -137.006 flat angles P-C4'-P energy: -84.546 tors. eta vs tors. theta energy: -127.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1337.864046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.864046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.864046 (E_RNA) where: Base-Base interactions energy: -856.571 where: short stacking energy: -383.376 Base-Backbone interact. energy: -2.533 local terms energy: -478.759135 where: bonds (distance) C4'-P energy: -98.953 bonds (distance) P-C4' energy: -126.669 flat angles C4'-P-C4' energy: -109.749 flat angles P-C4'-P energy: -83.453 tors. eta vs tors. theta energy: -59.935 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: 9, replica: 6 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -882.809930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.809930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.809930 (E_RNA) where: Base-Base interactions energy: -459.982 where: short stacking energy: -237.964 Base-Backbone interact. energy: -5.149 local terms energy: -417.679437 where: bonds (distance) C4'-P energy: -120.728 bonds (distance) P-C4' energy: -109.762 flat angles C4'-P-C4' energy: -126.502 flat angles P-C4'-P energy: -57.189 tors. eta vs tors. theta energy: -3.498 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: 462 Temperature: 1.350000 Total energy: -683.923588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.923588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.923588 (E_RNA) where: Base-Base interactions energy: -305.410 where: short stacking energy: -194.619 Base-Backbone interact. energy: 3.197 local terms energy: -381.710594 where: bonds (distance) C4'-P energy: -118.453 bonds (distance) P-C4' energy: -115.400 flat angles C4'-P-C4' energy: -106.439 flat angles P-C4'-P energy: -43.911 tors. eta vs tors. theta energy: 2.493 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: 3 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -2636.155109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.155109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.155109 (E_RNA) where: Base-Base interactions energy: -1815.289 where: short stacking energy: -788.369 Base-Backbone interact. energy: -4.442 local terms energy: -816.423988 where: bonds (distance) C4'-P energy: -136.428 bonds (distance) P-C4' energy: -149.838 flat angles C4'-P-C4' energy: -181.546 flat angles P-C4'-P energy: -109.551 tors. eta vs tors. theta energy: -239.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -2519.576997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.576997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.576997 (E_RNA) where: Base-Base interactions energy: -1723.352 where: short stacking energy: -758.028 Base-Backbone interact. energy: -0.655 local terms energy: -795.570558 where: bonds (distance) C4'-P energy: -147.742 bonds (distance) P-C4' energy: -141.534 flat angles C4'-P-C4' energy: -173.648 flat angles P-C4'-P energy: -117.466 tors. eta vs tors. theta energy: -215.180 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: 3, replica: 9 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2411.112283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.112283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.112283 (E_RNA) where: Base-Base interactions energy: -1671.705 where: short stacking energy: -723.093 Base-Backbone interact. energy: 1.244 local terms energy: -740.651136 where: bonds (distance) C4'-P energy: -131.543 bonds (distance) P-C4' energy: -123.584 flat angles C4'-P-C4' energy: -175.435 flat angles P-C4'-P energy: -102.712 tors. eta vs tors. theta energy: -207.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2242.161062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.161062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.161062 (E_RNA) where: Base-Base interactions energy: -1498.653 where: short stacking energy: -655.889 Base-Backbone interact. energy: -1.341 local terms energy: -742.167931 where: bonds (distance) C4'-P energy: -135.332 bonds (distance) P-C4' energy: -158.446 flat angles C4'-P-C4' energy: -164.505 flat angles P-C4'-P energy: -103.388 tors. eta vs tors. theta energy: -180.496 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: 5, replica: 8 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -2180.801010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.801010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.801010 (E_RNA) where: Base-Base interactions energy: -1506.878 where: short stacking energy: -633.994 Base-Backbone interact. energy: -0.898 local terms energy: -673.025215 where: bonds (distance) C4'-P energy: -107.752 bonds (distance) P-C4' energy: -122.909 flat angles C4'-P-C4' energy: -168.342 flat angles P-C4'-P energy: -104.247 tors. eta vs tors. theta energy: -169.775 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: 1 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1975.225678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.225678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.225678 (E_RNA) where: Base-Base interactions energy: -1314.064 where: short stacking energy: -576.918 Base-Backbone interact. energy: -1.614 local terms energy: -660.153380 where: bonds (distance) C4'-P energy: -114.617 bonds (distance) P-C4' energy: -127.562 flat angles C4'-P-C4' energy: -154.189 flat angles P-C4'-P energy: -94.779 tors. eta vs tors. theta energy: -169.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.606 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1739.357606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.357606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.357606 (E_RNA) where: Base-Base interactions energy: -1165.708 where: short stacking energy: -517.596 Base-Backbone interact. energy: -0.936 local terms energy: -572.713751 where: bonds (distance) C4'-P energy: -107.464 bonds (distance) P-C4' energy: -125.864 flat angles C4'-P-C4' energy: -116.929 flat angles P-C4'-P energy: -94.335 tors. eta vs tors. theta energy: -128.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1330.827945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.827945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.827945 (E_RNA) where: Base-Base interactions energy: -843.428 where: short stacking energy: -412.625 Base-Backbone interact. energy: -0.440 local terms energy: -486.959728 where: bonds (distance) C4'-P energy: -110.281 bonds (distance) P-C4' energy: -114.044 flat angles C4'-P-C4' energy: -129.904 flat angles P-C4'-P energy: -65.085 tors. eta vs tors. theta energy: -67.646 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: 6 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -898.991841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.991841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.991841 (E_RNA) where: Base-Base interactions energy: -450.897 where: short stacking energy: -251.704 Base-Backbone interact. energy: 6.673 local terms energy: -454.767442 where: bonds (distance) C4'-P energy: -115.637 bonds (distance) P-C4' energy: -130.623 flat angles C4'-P-C4' energy: -130.254 flat angles P-C4'-P energy: -76.397 tors. eta vs tors. theta energy: -1.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -672.589108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.589108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.589108 (E_RNA) where: Base-Base interactions energy: -284.671 where: short stacking energy: -182.094 Base-Backbone interact. energy: -0.544 local terms energy: -387.373639 where: bonds (distance) C4'-P energy: -117.106 bonds (distance) P-C4' energy: -121.267 flat angles C4'-P-C4' energy: -101.965 flat angles P-C4'-P energy: -52.463 tors. eta vs tors. theta energy: 5.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -2647.930169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.930169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.930169 (E_RNA) where: Base-Base interactions energy: -1820.977 where: short stacking energy: -777.988 Base-Backbone interact. energy: -1.091 local terms energy: -825.861858 where: bonds (distance) C4'-P energy: -143.204 bonds (distance) P-C4' energy: -159.106 flat angles C4'-P-C4' energy: -170.531 flat angles P-C4'-P energy: -108.727 tors. eta vs tors. theta energy: -244.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -2480.385029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.385029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.385029 (E_RNA) where: Base-Base interactions energy: -1690.357 where: short stacking energy: -740.831 Base-Backbone interact. energy: 0.487 local terms energy: -790.514413 where: bonds (distance) C4'-P energy: -135.489 bonds (distance) P-C4' energy: -164.626 flat angles C4'-P-C4' energy: -163.479 flat angles P-C4'-P energy: -105.759 tors. eta vs tors. theta energy: -221.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -2397.634229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.634229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.634229 (E_RNA) where: Base-Base interactions energy: -1640.064 where: short stacking energy: -732.776 Base-Backbone interact. energy: -1.328 local terms energy: -756.242053 where: bonds (distance) C4'-P energy: -140.850 bonds (distance) P-C4' energy: -149.141 flat angles C4'-P-C4' energy: -155.269 flat angles P-C4'-P energy: -101.544 tors. eta vs tors. theta energy: -209.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -2238.911006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.911006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.911006 (E_RNA) where: Base-Base interactions energy: -1520.174 where: short stacking energy: -658.222 Base-Backbone interact. energy: -0.753 local terms energy: -717.983915 where: bonds (distance) C4'-P energy: -142.767 bonds (distance) P-C4' energy: -129.638 flat angles C4'-P-C4' energy: -153.799 flat angles P-C4'-P energy: -112.410 tors. eta vs tors. theta energy: -179.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -2191.679102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.679102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.679102 (E_RNA) where: Base-Base interactions energy: -1513.747 where: short stacking energy: -636.334 Base-Backbone interact. energy: -2.576 local terms energy: -675.356266 where: bonds (distance) C4'-P energy: -123.084 bonds (distance) P-C4' energy: -137.858 flat angles C4'-P-C4' energy: -145.408 flat angles P-C4'-P energy: -91.296 tors. eta vs tors. theta energy: -177.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1998.620316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.620316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.620316 (E_RNA) where: Base-Base interactions energy: -1331.352 where: short stacking energy: -566.082 Base-Backbone interact. energy: 1.682 local terms energy: -668.949812 where: bonds (distance) C4'-P energy: -138.741 bonds (distance) P-C4' energy: -148.769 flat angles C4'-P-C4' energy: -150.521 flat angles P-C4'-P energy: -85.064 tors. eta vs tors. theta energy: -145.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1722.775457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.775457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.775457 (E_RNA) where: Base-Base interactions energy: -1143.294 where: short stacking energy: -505.214 Base-Backbone interact. energy: -2.729 local terms energy: -576.753182 where: bonds (distance) C4'-P energy: -129.448 bonds (distance) P-C4' energy: -115.792 flat angles C4'-P-C4' energy: -142.399 flat angles P-C4'-P energy: -86.570 tors. eta vs tors. theta energy: -102.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1490.760746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.760746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.760746 (E_RNA) where: Base-Base interactions energy: -956.654 where: short stacking energy: -401.757 Base-Backbone interact. energy: -1.040 local terms energy: -533.066150 where: bonds (distance) C4'-P energy: -121.619 bonds (distance) P-C4' energy: -142.362 flat angles C4'-P-C4' energy: -125.195 flat angles P-C4'-P energy: -78.327 tors. eta vs tors. theta energy: -65.563 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: 6 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -884.025463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.025463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.025463 (E_RNA) where: Base-Base interactions energy: -453.100 where: short stacking energy: -244.541 Base-Backbone interact. energy: -1.576 local terms energy: -429.349015 where: bonds (distance) C4'-P energy: -121.814 bonds (distance) P-C4' energy: -119.899 flat angles C4'-P-C4' energy: -110.325 flat angles P-C4'-P energy: -69.226 tors. eta vs tors. theta energy: -8.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -686.788620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.788620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.788620 (E_RNA) where: Base-Base interactions energy: -317.484 where: short stacking energy: -181.810 Base-Backbone interact. energy: -2.295 local terms energy: -367.009320 where: bonds (distance) C4'-P energy: -121.063 bonds (distance) P-C4' energy: -125.178 flat angles C4'-P-C4' energy: -80.637 flat angles P-C4'-P energy: -74.048 tors. eta vs tors. theta energy: 33.917 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: 3 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -2649.089060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.089060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.089060 (E_RNA) where: Base-Base interactions energy: -1822.730 where: short stacking energy: -789.590 Base-Backbone interact. energy: -1.817 local terms energy: -825.127491 where: bonds (distance) C4'-P energy: -139.546 bonds (distance) P-C4' energy: -151.257 flat angles C4'-P-C4' energy: -186.014 flat angles P-C4'-P energy: -109.179 tors. eta vs tors. theta energy: -239.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.585 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -2478.878077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.878077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.878077 (E_RNA) where: Base-Base interactions energy: -1694.998 where: short stacking energy: -748.309 Base-Backbone interact. energy: -5.132 local terms energy: -778.748496 where: bonds (distance) C4'-P energy: -146.926 bonds (distance) P-C4' energy: -151.304 flat angles C4'-P-C4' energy: -157.730 flat angles P-C4'-P energy: -99.965 tors. eta vs tors. theta energy: -222.824 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: 3, replica: 9 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -2410.214497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.214497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.214497 (E_RNA) where: Base-Base interactions energy: -1633.807 where: short stacking energy: -694.633 Base-Backbone interact. energy: -1.433 local terms energy: -774.974449 where: bonds (distance) C4'-P energy: -149.753 bonds (distance) P-C4' energy: -151.711 flat angles C4'-P-C4' energy: -156.524 flat angles P-C4'-P energy: -98.014 tors. eta vs tors. theta energy: -218.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -2263.182321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.182321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.182321 (E_RNA) where: Base-Base interactions energy: -1541.061 where: short stacking energy: -641.160 Base-Backbone interact. energy: -0.953 local terms energy: -721.168189 where: bonds (distance) C4'-P energy: -125.796 bonds (distance) P-C4' energy: -137.895 flat angles C4'-P-C4' energy: -167.583 flat angles P-C4'-P energy: -91.580 tors. eta vs tors. theta energy: -198.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -2192.058469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.058469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.058469 (E_RNA) where: Base-Base interactions energy: -1497.420 where: short stacking energy: -629.067 Base-Backbone interact. energy: -5.998 local terms energy: -688.640829 where: bonds (distance) C4'-P energy: -116.880 bonds (distance) P-C4' energy: -121.047 flat angles C4'-P-C4' energy: -160.593 flat angles P-C4'-P energy: -111.368 tors. eta vs tors. theta energy: -178.752 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: 1 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -2013.322884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.322884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.322884 (E_RNA) where: Base-Base interactions energy: -1379.466 where: short stacking energy: -603.326 Base-Backbone interact. energy: 4.687 local terms energy: -638.543755 where: bonds (distance) C4'-P energy: -124.722 bonds (distance) P-C4' energy: -128.151 flat angles C4'-P-C4' energy: -146.626 flat angles P-C4'-P energy: -78.036 tors. eta vs tors. theta energy: -161.008 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: 4 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1565.296497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.296497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.296497 (E_RNA) where: Base-Base interactions energy: -974.154 where: short stacking energy: -416.301 Base-Backbone interact. energy: -4.785 local terms energy: -586.357696 where: bonds (distance) C4'-P energy: -129.606 bonds (distance) P-C4' energy: -142.536 flat angles C4'-P-C4' energy: -138.648 flat angles P-C4'-P energy: -98.742 tors. eta vs tors. theta energy: -76.826 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: 5 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1472.967016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.967016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.967016 (E_RNA) where: Base-Base interactions energy: -950.402 where: short stacking energy: -419.540 Base-Backbone interact. energy: 1.828 local terms energy: -524.393255 where: bonds (distance) C4'-P energy: -110.886 bonds (distance) P-C4' energy: -130.676 flat angles C4'-P-C4' energy: -136.063 flat angles P-C4'-P energy: -70.709 tors. eta vs tors. theta energy: -76.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -879.043635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.043635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.043635 (E_RNA) where: Base-Base interactions energy: -478.805 where: short stacking energy: -272.333 Base-Backbone interact. energy: 2.860 local terms energy: -403.098387 where: bonds (distance) C4'-P energy: -107.744 bonds (distance) P-C4' energy: -132.988 flat angles C4'-P-C4' energy: -87.065 flat angles P-C4'-P energy: -58.810 tors. eta vs tors. theta energy: -16.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -711.065024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.065024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.065024 (E_RNA) where: Base-Base interactions energy: -352.252 where: short stacking energy: -220.602 Base-Backbone interact. energy: 4.287 local terms energy: -363.099806 where: bonds (distance) C4'-P energy: -112.228 bonds (distance) P-C4' energy: -110.166 flat angles C4'-P-C4' energy: -103.402 flat angles P-C4'-P energy: -54.250 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: 1, replica: 3 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -2651.382612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.382612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.382612 (E_RNA) where: Base-Base interactions energy: -1812.741 where: short stacking energy: -786.575 Base-Backbone interact. energy: -2.152 local terms energy: -836.489926 where: bonds (distance) C4'-P energy: -159.294 bonds (distance) P-C4' energy: -144.936 flat angles C4'-P-C4' energy: -181.988 flat angles P-C4'-P energy: -102.836 tors. eta vs tors. theta energy: -247.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -2491.549780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.549780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.549780 (E_RNA) where: Base-Base interactions energy: -1699.883 where: short stacking energy: -732.289 Base-Backbone interact. energy: -0.400 local terms energy: -791.267073 where: bonds (distance) C4'-P energy: -151.077 bonds (distance) P-C4' energy: -158.267 flat angles C4'-P-C4' energy: -164.940 flat angles P-C4'-P energy: -117.613 tors. eta vs tors. theta energy: -199.369 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: 3, replica: 9 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -2407.926279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.926279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.926279 (E_RNA) where: Base-Base interactions energy: -1666.767 where: short stacking energy: -707.971 Base-Backbone interact. energy: -0.897 local terms energy: -740.262904 where: bonds (distance) C4'-P energy: -144.355 bonds (distance) P-C4' energy: -138.339 flat angles C4'-P-C4' energy: -157.899 flat angles P-C4'-P energy: -100.355 tors. eta vs tors. theta energy: -199.315 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: 4, replica: 2 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -2245.177452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.177452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.177452 (E_RNA) where: Base-Base interactions energy: -1505.381 where: short stacking energy: -640.024 Base-Backbone interact. energy: -0.653 local terms energy: -739.143899 where: bonds (distance) C4'-P energy: -140.753 bonds (distance) P-C4' energy: -155.905 flat angles C4'-P-C4' energy: -154.087 flat angles P-C4'-P energy: -98.641 tors. eta vs tors. theta energy: -189.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -2218.995878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.995878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.995878 (E_RNA) where: Base-Base interactions energy: -1539.745 where: short stacking energy: -667.036 Base-Backbone interact. energy: -2.070 local terms energy: -677.180860 where: bonds (distance) C4'-P energy: -139.520 bonds (distance) P-C4' energy: -130.310 flat angles C4'-P-C4' energy: -145.750 flat angles P-C4'-P energy: -89.187 tors. eta vs tors. theta energy: -172.414 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: 1 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -2006.940343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.940343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.940343 (E_RNA) where: Base-Base interactions energy: -1334.589 where: short stacking energy: -594.382 Base-Backbone interact. energy: -2.374 local terms energy: -669.977513 where: bonds (distance) C4'-P energy: -131.812 bonds (distance) P-C4' energy: -126.416 flat angles C4'-P-C4' energy: -153.717 flat angles P-C4'-P energy: -87.633 tors. eta vs tors. theta energy: -170.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1590.023387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.023387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.023387 (E_RNA) where: Base-Base interactions energy: -1021.859 where: short stacking energy: -459.187 Base-Backbone interact. energy: -1.399 local terms energy: -566.765579 where: bonds (distance) C4'-P energy: -117.169 bonds (distance) P-C4' energy: -116.642 flat angles C4'-P-C4' energy: -155.198 flat angles P-C4'-P energy: -90.818 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: 8, replica: 5 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1518.970684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.970684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.970684 (E_RNA) where: Base-Base interactions energy: -984.709 where: short stacking energy: -433.319 Base-Backbone interact. energy: -1.670 local terms energy: -532.591689 where: bonds (distance) C4'-P energy: -112.215 bonds (distance) P-C4' energy: -118.761 flat angles C4'-P-C4' energy: -134.850 flat angles P-C4'-P energy: -78.886 tors. eta vs tors. theta energy: -87.879 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: 6 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -849.966490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.966490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.966490 (E_RNA) where: Base-Base interactions energy: -467.363 where: short stacking energy: -265.233 Base-Backbone interact. energy: 2.984 local terms energy: -385.587505 where: bonds (distance) C4'-P energy: -98.741 bonds (distance) P-C4' energy: -129.124 flat angles C4'-P-C4' energy: -97.544 flat angles P-C4'-P energy: -53.848 tors. eta vs tors. theta energy: -6.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -719.849586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.849586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.849586 (E_RNA) where: Base-Base interactions energy: -331.866 where: short stacking energy: -196.652 Base-Backbone interact. energy: 1.030 local terms energy: -389.013831 where: bonds (distance) C4'-P energy: -110.286 bonds (distance) P-C4' energy: -130.758 flat angles C4'-P-C4' energy: -86.506 flat angles P-C4'-P energy: -67.572 tors. eta vs tors. theta energy: 6.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -2656.017060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.017060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.017060 (E_RNA) where: Base-Base interactions energy: -1810.847 where: short stacking energy: -802.096 Base-Backbone interact. energy: -3.097 local terms energy: -842.073547 where: bonds (distance) C4'-P energy: -150.292 bonds (distance) P-C4' energy: -146.365 flat angles C4'-P-C4' energy: -171.114 flat angles P-C4'-P energy: -121.438 tors. eta vs tors. theta energy: -252.864 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: 7 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -2498.025542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.025542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.025542 (E_RNA) where: Base-Base interactions energy: -1710.552 where: short stacking energy: -698.509 Base-Backbone interact. energy: -4.002 local terms energy: -783.471647 where: bonds (distance) C4'-P energy: -153.852 bonds (distance) P-C4' energy: -150.637 flat angles C4'-P-C4' energy: -170.948 flat angles P-C4'-P energy: -102.954 tors. eta vs tors. theta energy: -205.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -2390.588015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.588015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.588015 (E_RNA) where: Base-Base interactions energy: -1647.310 where: short stacking energy: -705.628 Base-Backbone interact. energy: -1.973 local terms energy: -741.305088 where: bonds (distance) C4'-P energy: -134.982 bonds (distance) P-C4' energy: -131.115 flat angles C4'-P-C4' energy: -155.662 flat angles P-C4'-P energy: -111.005 tors. eta vs tors. theta energy: -208.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2242.178587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.178587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.178587 (E_RNA) where: Base-Base interactions energy: -1521.679 where: short stacking energy: -682.247 Base-Backbone interact. energy: 0.768 local terms energy: -721.267091 where: bonds (distance) C4'-P energy: -138.649 bonds (distance) P-C4' energy: -124.485 flat angles C4'-P-C4' energy: -156.948 flat angles P-C4'-P energy: -97.544 tors. eta vs tors. theta energy: -203.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -2175.062275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.062275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.062275 (E_RNA) where: Base-Base interactions energy: -1493.679 where: short stacking energy: -632.025 Base-Backbone interact. energy: -2.211 local terms energy: -679.172351 where: bonds (distance) C4'-P energy: -136.044 bonds (distance) P-C4' energy: -135.131 flat angles C4'-P-C4' energy: -147.943 flat angles P-C4'-P energy: -83.907 tors. eta vs tors. theta energy: -176.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1964.669353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.669353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.669353 (E_RNA) where: Base-Base interactions energy: -1298.020 where: short stacking energy: -591.218 Base-Backbone interact. energy: -1.307 local terms energy: -665.342775 where: bonds (distance) C4'-P energy: -130.071 bonds (distance) P-C4' energy: -131.614 flat angles C4'-P-C4' energy: -141.885 flat angles P-C4'-P energy: -95.496 tors. eta vs tors. theta energy: -166.276 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: 7, replica: 4 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1584.996570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.996570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.996570 (E_RNA) where: Base-Base interactions energy: -1054.766 where: short stacking energy: -446.307 Base-Backbone interact. energy: -2.004 local terms energy: -528.226447 where: bonds (distance) C4'-P energy: -103.069 bonds (distance) P-C4' energy: -124.230 flat angles C4'-P-C4' energy: -133.753 flat angles P-C4'-P energy: -78.545 tors. eta vs tors. theta energy: -88.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1472.600937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.600937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.600937 (E_RNA) where: Base-Base interactions energy: -960.522 where: short stacking energy: -427.413 Base-Backbone interact. energy: -2.044 local terms energy: -510.034870 where: bonds (distance) C4'-P energy: -104.515 bonds (distance) P-C4' energy: -120.997 flat angles C4'-P-C4' energy: -138.847 flat angles P-C4'-P energy: -66.900 tors. eta vs tors. theta energy: -78.776 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: 6 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -842.014757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.014757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.014757 (E_RNA) where: Base-Base interactions energy: -420.152 where: short stacking energy: -229.013 Base-Backbone interact. energy: -1.537 local terms energy: -420.326301 where: bonds (distance) C4'-P energy: -122.760 bonds (distance) P-C4' energy: -117.398 flat angles C4'-P-C4' energy: -108.016 flat angles P-C4'-P energy: -68.920 tors. eta vs tors. theta energy: -3.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -756.026234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.026234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.026234 (E_RNA) where: Base-Base interactions energy: -336.553 where: short stacking energy: -191.906 Base-Backbone interact. energy: -2.093 local terms energy: -417.379671 where: bonds (distance) C4'-P energy: -122.568 bonds (distance) P-C4' energy: -128.608 flat angles C4'-P-C4' energy: -91.141 flat angles P-C4'-P energy: -76.077 tors. eta vs tors. theta energy: 1.014 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: 3 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -2626.733807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.733807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.733807 (E_RNA) where: Base-Base interactions energy: -1808.969 where: short stacking energy: -791.235 Base-Backbone interact. energy: -2.157 local terms energy: -815.607706 where: bonds (distance) C4'-P energy: -138.035 bonds (distance) P-C4' energy: -143.470 flat angles C4'-P-C4' energy: -165.996 flat angles P-C4'-P energy: -117.486 tors. eta vs tors. theta energy: -250.620 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: 2, replica: 7 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -2513.624746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.624746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.624746 (E_RNA) where: Base-Base interactions energy: -1720.730 where: short stacking energy: -712.825 Base-Backbone interact. energy: -4.118 local terms energy: -788.777510 where: bonds (distance) C4'-P energy: -137.390 bonds (distance) P-C4' energy: -157.665 flat angles C4'-P-C4' energy: -162.190 flat angles P-C4'-P energy: -125.311 tors. eta vs tors. theta energy: -206.221 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: 9 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2411.129097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.129097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.129097 (E_RNA) where: Base-Base interactions energy: -1641.014 where: short stacking energy: -711.472 Base-Backbone interact. energy: -3.471 local terms energy: -766.643936 where: bonds (distance) C4'-P energy: -140.700 bonds (distance) P-C4' energy: -137.961 flat angles C4'-P-C4' energy: -167.945 flat angles P-C4'-P energy: -100.213 tors. eta vs tors. theta energy: -219.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -2278.294221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.294221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.294221 (E_RNA) where: Base-Base interactions energy: -1549.799 where: short stacking energy: -688.552 Base-Backbone interact. energy: 0.285 local terms energy: -728.780183 where: bonds (distance) C4'-P energy: -124.795 bonds (distance) P-C4' energy: -138.477 flat angles C4'-P-C4' energy: -162.306 flat angles P-C4'-P energy: -111.908 tors. eta vs tors. theta energy: -191.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -2120.351083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.351083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.351083 (E_RNA) where: Base-Base interactions energy: -1447.747 where: short stacking energy: -614.666 Base-Backbone interact. energy: -2.597 local terms energy: -670.006623 where: bonds (distance) C4'-P energy: -128.767 bonds (distance) P-C4' energy: -141.734 flat angles C4'-P-C4' energy: -142.223 flat angles P-C4'-P energy: -87.504 tors. eta vs tors. theta energy: -169.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1971.057564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.057564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.057564 (E_RNA) where: Base-Base interactions energy: -1344.262 where: short stacking energy: -600.393 Base-Backbone interact. energy: -2.502 local terms energy: -624.292809 where: bonds (distance) C4'-P energy: -104.820 bonds (distance) P-C4' energy: -127.697 flat angles C4'-P-C4' energy: -136.758 flat angles P-C4'-P energy: -109.217 tors. eta vs tors. theta energy: -145.801 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: 468 Temperature: 1.200000 Total energy: -1625.123263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.123263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.123263 (E_RNA) where: Base-Base interactions energy: -1079.921 where: short stacking energy: -470.342 Base-Backbone interact. energy: 3.251 local terms energy: -548.452819 where: bonds (distance) C4'-P energy: -103.676 bonds (distance) P-C4' energy: -146.990 flat angles C4'-P-C4' energy: -135.670 flat angles P-C4'-P energy: -67.824 tors. eta vs tors. theta energy: -94.293 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: 5 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1438.090473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.090473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.090473 (E_RNA) where: Base-Base interactions energy: -907.253 where: short stacking energy: -396.734 Base-Backbone interact. energy: -1.161 local terms energy: -529.676297 where: bonds (distance) C4'-P energy: -126.770 bonds (distance) P-C4' energy: -108.236 flat angles C4'-P-C4' energy: -133.389 flat angles P-C4'-P energy: -87.933 tors. eta vs tors. theta energy: -73.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -838.112303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.112303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.112303 (E_RNA) where: Base-Base interactions energy: -394.729 where: short stacking energy: -243.796 Base-Backbone interact. energy: 1.103 local terms energy: -444.486788 where: bonds (distance) C4'-P energy: -123.442 bonds (distance) P-C4' energy: -131.815 flat angles C4'-P-C4' energy: -109.651 flat angles P-C4'-P energy: -72.125 tors. eta vs tors. theta energy: -7.454 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: 10 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -764.040650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.040650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.040650 (E_RNA) where: Base-Base interactions energy: -367.001 where: short stacking energy: -219.393 Base-Backbone interact. energy: 4.673 local terms energy: -401.713169 where: bonds (distance) C4'-P energy: -120.561 bonds (distance) P-C4' energy: -117.648 flat angles C4'-P-C4' energy: -124.039 flat angles P-C4'-P energy: -35.035 tors. eta vs tors. theta energy: -4.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -2657.946220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.946220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.946220 (E_RNA) where: Base-Base interactions energy: -1810.780 where: short stacking energy: -778.768 Base-Backbone interact. energy: 2.223 local terms energy: -849.388773 where: bonds (distance) C4'-P energy: -147.965 bonds (distance) P-C4' energy: -156.844 flat angles C4'-P-C4' energy: -183.316 flat angles P-C4'-P energy: -110.493 tors. eta vs tors. theta energy: -250.772 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: 7 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -2490.292618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.292618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.292618 (E_RNA) where: Base-Base interactions energy: -1742.344 where: short stacking energy: -728.730 Base-Backbone interact. energy: -4.980 local terms energy: -742.968519 where: bonds (distance) C4'-P energy: -132.925 bonds (distance) P-C4' energy: -138.935 flat angles C4'-P-C4' energy: -165.260 flat angles P-C4'-P energy: -110.677 tors. eta vs tors. theta energy: -195.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2377.068269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.068269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.068269 (E_RNA) where: Base-Base interactions energy: -1636.415 where: short stacking energy: -729.906 Base-Backbone interact. energy: -4.268 local terms energy: -736.384604 where: bonds (distance) C4'-P energy: -122.929 bonds (distance) P-C4' energy: -131.124 flat angles C4'-P-C4' energy: -170.248 flat angles P-C4'-P energy: -107.579 tors. eta vs tors. theta energy: -204.504 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: 4, replica: 2 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -2265.679889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.679889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.679889 (E_RNA) where: Base-Base interactions energy: -1520.845 where: short stacking energy: -678.446 Base-Backbone interact. energy: -1.438 local terms energy: -743.396776 where: bonds (distance) C4'-P energy: -143.659 bonds (distance) P-C4' energy: -142.307 flat angles C4'-P-C4' energy: -149.866 flat angles P-C4'-P energy: -114.473 tors. eta vs tors. theta energy: -193.092 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: 8 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -2145.120008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.120008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.120008 (E_RNA) where: Base-Base interactions energy: -1473.005 where: short stacking energy: -615.877 Base-Backbone interact. energy: -6.261 local terms energy: -666.501197 where: bonds (distance) C4'-P energy: -119.550 bonds (distance) P-C4' energy: -146.990 flat angles C4'-P-C4' energy: -142.102 flat angles P-C4'-P energy: -91.573 tors. eta vs tors. theta energy: -166.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.647 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1996.409686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.409686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.409686 (E_RNA) where: Base-Base interactions energy: -1315.456 where: short stacking energy: -594.447 Base-Backbone interact. energy: -0.539 local terms energy: -680.415011 where: bonds (distance) C4'-P energy: -135.438 bonds (distance) P-C4' energy: -121.789 flat angles C4'-P-C4' energy: -144.374 flat angles P-C4'-P energy: -107.671 tors. eta vs tors. theta energy: -171.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1596.222320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.222320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.222320 (E_RNA) where: Base-Base interactions energy: -1055.658 where: short stacking energy: -457.445 Base-Backbone interact. energy: -0.440 local terms energy: -540.124982 where: bonds (distance) C4'-P energy: -109.915 bonds (distance) P-C4' energy: -118.613 flat angles C4'-P-C4' energy: -132.188 flat angles P-C4'-P energy: -90.232 tors. eta vs tors. theta energy: -89.177 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: 8, replica: 5 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1466.999753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.999753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.999753 (E_RNA) where: Base-Base interactions energy: -914.141 where: short stacking energy: -402.397 Base-Backbone interact. energy: -2.090 local terms energy: -550.768701 where: bonds (distance) C4'-P energy: -139.467 bonds (distance) P-C4' energy: -135.596 flat angles C4'-P-C4' energy: -128.764 flat angles P-C4'-P energy: -63.386 tors. eta vs tors. theta energy: -83.556 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: 6 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -898.613100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.613100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.613100 (E_RNA) where: Base-Base interactions energy: -457.513 where: short stacking energy: -247.054 Base-Backbone interact. energy: -1.271 local terms energy: -439.829741 where: bonds (distance) C4'-P energy: -137.991 bonds (distance) P-C4' energy: -130.112 flat angles C4'-P-C4' energy: -109.260 flat angles P-C4'-P energy: -56.875 tors. eta vs tors. theta energy: -5.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -794.649785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.649785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.649785 (E_RNA) where: Base-Base interactions energy: -432.045 where: short stacking energy: -230.089 Base-Backbone interact. energy: -1.811 local terms energy: -360.793246 where: bonds (distance) C4'-P energy: -120.038 bonds (distance) P-C4' energy: -107.831 flat angles C4'-P-C4' energy: -83.070 flat angles P-C4'-P energy: -50.525 tors. eta vs tors. theta energy: 0.670 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: 3 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -2641.977019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.977019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.977019 (E_RNA) where: Base-Base interactions energy: -1811.792 where: short stacking energy: -787.894 Base-Backbone interact. energy: -3.661 local terms energy: -827.008256 where: bonds (distance) C4'-P energy: -151.743 bonds (distance) P-C4' energy: -146.919 flat angles C4'-P-C4' energy: -170.947 flat angles P-C4'-P energy: -113.754 tors. eta vs tors. theta energy: -243.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.484 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -2522.641645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.641645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.641645 (E_RNA) where: Base-Base interactions energy: -1771.507 where: short stacking energy: -713.605 Base-Backbone interact. energy: -4.039 local terms energy: -747.096569 where: bonds (distance) C4'-P energy: -128.509 bonds (distance) P-C4' energy: -142.603 flat angles C4'-P-C4' energy: -163.635 flat angles P-C4'-P energy: -110.536 tors. eta vs tors. theta energy: -201.813 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: 3, replica: 9 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -2417.776332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.776332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.776332 (E_RNA) where: Base-Base interactions energy: -1680.766 where: short stacking energy: -704.971 Base-Backbone interact. energy: -1.551 local terms energy: -735.459412 where: bonds (distance) C4'-P energy: -133.632 bonds (distance) P-C4' energy: -141.875 flat angles C4'-P-C4' energy: -156.797 flat angles P-C4'-P energy: -89.931 tors. eta vs tors. theta energy: -213.225 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: 2 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2209.687327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.687327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.687327 (E_RNA) where: Base-Base interactions energy: -1509.102 where: short stacking energy: -656.758 Base-Backbone interact. energy: -0.749 local terms energy: -699.836353 where: bonds (distance) C4'-P energy: -135.284 bonds (distance) P-C4' energy: -111.389 flat angles C4'-P-C4' energy: -159.386 flat angles P-C4'-P energy: -113.560 tors. eta vs tors. theta energy: -180.217 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: 8 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -2136.501101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.501101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.501101 (E_RNA) where: Base-Base interactions energy: -1454.451 where: short stacking energy: -584.417 Base-Backbone interact. energy: -2.748 local terms energy: -679.302014 where: bonds (distance) C4'-P energy: -140.561 bonds (distance) P-C4' energy: -135.666 flat angles C4'-P-C4' energy: -150.849 flat angles P-C4'-P energy: -107.074 tors. eta vs tors. theta energy: -145.152 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: 1 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1956.373750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.373750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.373750 (E_RNA) where: Base-Base interactions energy: -1283.860 where: short stacking energy: -590.024 Base-Backbone interact. energy: -3.189 local terms energy: -669.325052 where: bonds (distance) C4'-P energy: -129.990 bonds (distance) P-C4' energy: -135.417 flat angles C4'-P-C4' energy: -146.239 flat angles P-C4'-P energy: -102.700 tors. eta vs tors. theta energy: -154.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1651.973396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.973396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.973396 (E_RNA) where: Base-Base interactions energy: -1082.906 where: short stacking energy: -477.848 Base-Backbone interact. energy: -5.537 local terms energy: -564.202003 where: bonds (distance) C4'-P energy: -115.790 bonds (distance) P-C4' energy: -147.784 flat angles C4'-P-C4' energy: -123.789 flat angles P-C4'-P energy: -77.813 tors. eta vs tors. theta energy: -99.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.671 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1468.245409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.245409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.245409 (E_RNA) where: Base-Base interactions energy: -913.672 where: short stacking energy: -418.586 Base-Backbone interact. energy: -3.008 local terms energy: -551.565557 where: bonds (distance) C4'-P energy: -115.451 bonds (distance) P-C4' energy: -118.198 flat angles C4'-P-C4' energy: -140.867 flat angles P-C4'-P energy: -71.690 tors. eta vs tors. theta energy: -105.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -974.094525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.094525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.094525 (E_RNA) where: Base-Base interactions energy: -520.761 where: short stacking energy: -278.726 Base-Backbone interact. energy: 1.940 local terms energy: -455.272866 where: bonds (distance) C4'-P energy: -124.015 bonds (distance) P-C4' energy: -140.942 flat angles C4'-P-C4' energy: -109.307 flat angles P-C4'-P energy: -60.336 tors. eta vs tors. theta energy: -20.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -769.378645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.378645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.378645 (E_RNA) where: Base-Base interactions energy: -377.020 where: short stacking energy: -205.763 Base-Backbone interact. energy: 2.290 local terms energy: -394.649077 where: bonds (distance) C4'-P energy: -118.985 bonds (distance) P-C4' energy: -135.136 flat angles C4'-P-C4' energy: -81.582 flat angles P-C4'-P energy: -61.147 tors. eta vs tors. theta energy: 2.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -2652.350946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.350946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.350946 (E_RNA) where: Base-Base interactions energy: -1824.989 where: short stacking energy: -801.403 Base-Backbone interact. energy: -1.971 local terms energy: -825.390909 where: bonds (distance) C4'-P energy: -164.309 bonds (distance) P-C4' energy: -158.507 flat angles C4'-P-C4' energy: -169.091 flat angles P-C4'-P energy: -97.083 tors. eta vs tors. theta energy: -236.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -2497.021393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.021393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.021393 (E_RNA) where: Base-Base interactions energy: -1710.712 where: short stacking energy: -714.573 Base-Backbone interact. energy: -1.710 local terms energy: -784.599553 where: bonds (distance) C4'-P energy: -154.206 bonds (distance) P-C4' energy: -143.170 flat angles C4'-P-C4' energy: -159.655 flat angles P-C4'-P energy: -112.768 tors. eta vs tors. theta energy: -214.800 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: 9 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -2441.624816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.624816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.624816 (E_RNA) where: Base-Base interactions energy: -1677.726 where: short stacking energy: -724.934 Base-Backbone interact. energy: -1.327 local terms energy: -762.571395 where: bonds (distance) C4'-P energy: -146.066 bonds (distance) P-C4' energy: -119.662 flat angles C4'-P-C4' energy: -170.413 flat angles P-C4'-P energy: -110.432 tors. eta vs tors. theta energy: -215.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -2214.566198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.566198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.566198 (E_RNA) where: Base-Base interactions energy: -1517.744 where: short stacking energy: -640.682 Base-Backbone interact. energy: -3.880 local terms energy: -693.625772 where: bonds (distance) C4'-P energy: -137.125 bonds (distance) P-C4' energy: -128.012 flat angles C4'-P-C4' energy: -150.868 flat angles P-C4'-P energy: -95.440 tors. eta vs tors. theta energy: -182.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.683 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -2128.204720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.204720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.204720 (E_RNA) where: Base-Base interactions energy: -1470.832 where: short stacking energy: -581.492 Base-Backbone interact. energy: -2.515 local terms energy: -654.857335 where: bonds (distance) C4'-P energy: -123.632 bonds (distance) P-C4' energy: -141.061 flat angles C4'-P-C4' energy: -139.667 flat angles P-C4'-P energy: -97.847 tors. eta vs tors. theta energy: -152.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1942.833398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.833398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.833398 (E_RNA) where: Base-Base interactions energy: -1264.707 where: short stacking energy: -565.004 Base-Backbone interact. energy: -4.866 local terms energy: -673.260116 where: bonds (distance) C4'-P energy: -135.331 bonds (distance) P-C4' energy: -136.925 flat angles C4'-P-C4' energy: -154.703 flat angles P-C4'-P energy: -96.234 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: 4 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1668.178155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.178155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.178155 (E_RNA) where: Base-Base interactions energy: -1068.395 where: short stacking energy: -486.840 Base-Backbone interact. energy: -2.824 local terms energy: -596.959229 where: bonds (distance) C4'-P energy: -128.588 bonds (distance) P-C4' energy: -143.758 flat angles C4'-P-C4' energy: -125.541 flat angles P-C4'-P energy: -90.800 tors. eta vs tors. theta energy: -108.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1573.668515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.668515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.668515 (E_RNA) where: Base-Base interactions energy: -1018.488 where: short stacking energy: -428.767 Base-Backbone interact. energy: -1.490 local terms energy: -553.690454 where: bonds (distance) C4'-P energy: -131.980 bonds (distance) P-C4' energy: -127.389 flat angles C4'-P-C4' energy: -140.709 flat angles P-C4'-P energy: -76.642 tors. eta vs tors. theta energy: -76.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -924.398306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.398306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.398306 (E_RNA) where: Base-Base interactions energy: -496.166 where: short stacking energy: -256.138 Base-Backbone interact. energy: -0.244 local terms energy: -427.988431 where: bonds (distance) C4'-P energy: -119.718 bonds (distance) P-C4' energy: -127.278 flat angles C4'-P-C4' energy: -103.082 flat angles P-C4'-P energy: -59.574 tors. eta vs tors. theta energy: -18.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -820.187544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.187544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.187544 (E_RNA) where: Base-Base interactions energy: -398.137 where: short stacking energy: -223.634 Base-Backbone interact. energy: 0.503 local terms energy: -422.553572 where: bonds (distance) C4'-P energy: -115.155 bonds (distance) P-C4' energy: -135.328 flat angles C4'-P-C4' energy: -101.485 flat angles P-C4'-P energy: -74.876 tors. eta vs tors. theta energy: 4.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -2626.698028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.698028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.698028 (E_RNA) where: Base-Base interactions energy: -1820.848 where: short stacking energy: -804.084 Base-Backbone interact. energy: -1.989 local terms energy: -803.860467 where: bonds (distance) C4'-P energy: -123.030 bonds (distance) P-C4' energy: -151.176 flat angles C4'-P-C4' energy: -173.122 flat angles P-C4'-P energy: -111.007 tors. eta vs tors. theta energy: -245.526 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: 472 Temperature: 0.950000 Total energy: -2487.964740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.964740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.964740 (E_RNA) where: Base-Base interactions energy: -1737.313 where: short stacking energy: -735.526 Base-Backbone interact. energy: -1.068 local terms energy: -749.583934 where: bonds (distance) C4'-P energy: -119.946 bonds (distance) P-C4' energy: -140.190 flat angles C4'-P-C4' energy: -170.770 flat angles P-C4'-P energy: -111.813 tors. eta vs tors. theta energy: -206.865 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: 9 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -2423.075617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.075617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.075617 (E_RNA) where: Base-Base interactions energy: -1664.164 where: short stacking energy: -686.845 Base-Backbone interact. energy: -2.759 local terms energy: -756.152215 where: bonds (distance) C4'-P energy: -132.914 bonds (distance) P-C4' energy: -138.679 flat angles C4'-P-C4' energy: -160.459 flat angles P-C4'-P energy: -111.279 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: 4, replica: 2 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -2260.807942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.807942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.807942 (E_RNA) where: Base-Base interactions energy: -1538.693 where: short stacking energy: -654.074 Base-Backbone interact. energy: -2.302 local terms energy: -719.813330 where: bonds (distance) C4'-P energy: -138.233 bonds (distance) P-C4' energy: -142.001 flat angles C4'-P-C4' energy: -150.088 flat angles P-C4'-P energy: -95.367 tors. eta vs tors. theta energy: -194.124 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: 8 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -2147.397540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.397540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.397540 (E_RNA) where: Base-Base interactions energy: -1497.687 where: short stacking energy: -621.205 Base-Backbone interact. energy: -3.534 local terms energy: -646.176856 where: bonds (distance) C4'-P energy: -126.725 bonds (distance) P-C4' energy: -128.075 flat angles C4'-P-C4' energy: -137.965 flat angles P-C4'-P energy: -97.926 tors. eta vs tors. theta energy: -155.487 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: 1 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1937.954978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.954978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.954978 (E_RNA) where: Base-Base interactions energy: -1333.144 where: short stacking energy: -586.950 Base-Backbone interact. energy: -0.590 local terms energy: -604.221196 where: bonds (distance) C4'-P energy: -107.244 bonds (distance) P-C4' energy: -128.577 flat angles C4'-P-C4' energy: -129.500 flat angles P-C4'-P energy: -88.448 tors. eta vs tors. theta energy: -150.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1642.026175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.026175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.026175 (E_RNA) where: Base-Base interactions energy: -1059.395 where: short stacking energy: -460.306 Base-Backbone interact. energy: -2.098 local terms energy: -580.532559 where: bonds (distance) C4'-P energy: -113.938 bonds (distance) P-C4' energy: -132.050 flat angles C4'-P-C4' energy: -140.633 flat angles P-C4'-P energy: -93.090 tors. eta vs tors. theta energy: -100.822 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: 5 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1608.020085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.020085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.020085 (E_RNA) where: Base-Base interactions energy: -1035.938 where: short stacking energy: -427.356 Base-Backbone interact. energy: 2.096 local terms energy: -574.178144 where: bonds (distance) C4'-P energy: -125.380 bonds (distance) P-C4' energy: -125.085 flat angles C4'-P-C4' energy: -141.234 flat angles P-C4'-P energy: -82.671 tors. eta vs tors. theta energy: -99.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -958.870050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.870050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.870050 (E_RNA) where: Base-Base interactions energy: -505.003 where: short stacking energy: -279.270 Base-Backbone interact. energy: 6.500 local terms energy: -460.366845 where: bonds (distance) C4'-P energy: -108.812 bonds (distance) P-C4' energy: -125.629 flat angles C4'-P-C4' energy: -128.924 flat angles P-C4'-P energy: -69.120 tors. eta vs tors. theta energy: -27.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -714.761773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.761773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.761773 (E_RNA) where: Base-Base interactions energy: -354.806 where: short stacking energy: -211.733 Base-Backbone interact. energy: 6.701 local terms energy: -366.656567 where: bonds (distance) C4'-P energy: -127.658 bonds (distance) P-C4' energy: -106.599 flat angles C4'-P-C4' energy: -108.862 flat angles P-C4'-P energy: -42.695 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: 1, replica: 3 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -2653.017431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.017431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.017431 (E_RNA) where: Base-Base interactions energy: -1805.038 where: short stacking energy: -787.503 Base-Backbone interact. energy: -1.118 local terms energy: -846.861507 where: bonds (distance) C4'-P energy: -154.459 bonds (distance) P-C4' energy: -162.806 flat angles C4'-P-C4' energy: -167.649 flat angles P-C4'-P energy: -116.082 tors. eta vs tors. theta energy: -245.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -2495.833204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.833204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.833204 (E_RNA) where: Base-Base interactions energy: -1721.937 where: short stacking energy: -722.324 Base-Backbone interact. energy: -1.857 local terms energy: -772.039674 where: bonds (distance) C4'-P energy: -153.409 bonds (distance) P-C4' energy: -137.360 flat angles C4'-P-C4' energy: -167.034 flat angles P-C4'-P energy: -112.117 tors. eta vs tors. theta energy: -202.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -2460.367505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.367505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.367505 (E_RNA) where: Base-Base interactions energy: -1670.210 where: short stacking energy: -705.078 Base-Backbone interact. energy: -0.369 local terms energy: -789.788933 where: bonds (distance) C4'-P energy: -144.172 bonds (distance) P-C4' energy: -142.666 flat angles C4'-P-C4' energy: -170.378 flat angles P-C4'-P energy: -107.370 tors. eta vs tors. theta energy: -225.203 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: 473 Temperature: 1.050000 Total energy: -2234.494051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.494051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.494051 (E_RNA) where: Base-Base interactions energy: -1484.245 where: short stacking energy: -638.338 Base-Backbone interact. energy: -1.197 local terms energy: -749.051662 where: bonds (distance) C4'-P energy: -158.744 bonds (distance) P-C4' energy: -150.083 flat angles C4'-P-C4' energy: -151.029 flat angles P-C4'-P energy: -98.394 tors. eta vs tors. theta energy: -190.801 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: 8 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -2128.271866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.271866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.271866 (E_RNA) where: Base-Base interactions energy: -1473.536 where: short stacking energy: -636.796 Base-Backbone interact. energy: -3.139 local terms energy: -652.450857 where: bonds (distance) C4'-P energy: -113.433 bonds (distance) P-C4' energy: -131.761 flat angles C4'-P-C4' energy: -148.564 flat angles P-C4'-P energy: -98.781 tors. eta vs tors. theta energy: -159.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.854 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1949.341182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.341182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.341182 (E_RNA) where: Base-Base interactions energy: -1327.839 where: short stacking energy: -584.670 Base-Backbone interact. energy: 1.092 local terms energy: -622.593607 where: bonds (distance) C4'-P energy: -118.530 bonds (distance) P-C4' energy: -134.481 flat angles C4'-P-C4' energy: -144.379 flat angles P-C4'-P energy: -86.559 tors. eta vs tors. theta energy: -138.645 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: 4 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1642.224535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.224535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.224535 (E_RNA) where: Base-Base interactions energy: -1062.331 where: short stacking energy: -466.185 Base-Backbone interact. energy: -3.243 local terms energy: -576.651272 where: bonds (distance) C4'-P energy: -124.440 bonds (distance) P-C4' energy: -122.931 flat angles C4'-P-C4' energy: -130.517 flat angles P-C4'-P energy: -92.425 tors. eta vs tors. theta energy: -106.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1556.540376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.540376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.540376 (E_RNA) where: Base-Base interactions energy: -1022.713 where: short stacking energy: -473.528 Base-Backbone interact. energy: 3.692 local terms energy: -537.518749 where: bonds (distance) C4'-P energy: -116.129 bonds (distance) P-C4' energy: -125.212 flat angles C4'-P-C4' energy: -119.917 flat angles P-C4'-P energy: -71.499 tors. eta vs tors. theta energy: -104.761 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: 9, replica: 6 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -943.822252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.822252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.822252 (E_RNA) where: Base-Base interactions energy: -512.866 where: short stacking energy: -266.343 Base-Backbone interact. energy: 10.675 local terms energy: -441.631039 where: bonds (distance) C4'-P energy: -117.409 bonds (distance) P-C4' energy: -128.898 flat angles C4'-P-C4' energy: -133.266 flat angles P-C4'-P energy: -49.818 tors. eta vs tors. theta energy: -12.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -707.468495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.468495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.468495 (E_RNA) where: Base-Base interactions energy: -336.426 where: short stacking energy: -213.754 Base-Backbone interact. energy: -6.430 local terms energy: -364.613151 where: bonds (distance) C4'-P energy: -121.688 bonds (distance) P-C4' energy: -107.911 flat angles C4'-P-C4' energy: -94.054 flat angles P-C4'-P energy: -54.583 tors. eta vs tors. theta energy: 13.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -2642.177163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.177163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.177163 (E_RNA) where: Base-Base interactions energy: -1806.908 where: short stacking energy: -776.681 Base-Backbone interact. energy: -1.551 local terms energy: -833.718763 where: bonds (distance) C4'-P energy: -150.612 bonds (distance) P-C4' energy: -155.344 flat angles C4'-P-C4' energy: -165.904 flat angles P-C4'-P energy: -124.213 tors. eta vs tors. theta energy: -237.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -2493.003179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.003179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.003179 (E_RNA) where: Base-Base interactions energy: -1720.611 where: short stacking energy: -718.263 Base-Backbone interact. energy: -2.969 local terms energy: -769.422639 where: bonds (distance) C4'-P energy: -151.796 bonds (distance) P-C4' energy: -138.426 flat angles C4'-P-C4' energy: -161.150 flat angles P-C4'-P energy: -103.256 tors. eta vs tors. theta energy: -214.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -2474.161866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.161866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.161866 (E_RNA) where: Base-Base interactions energy: -1717.158 where: short stacking energy: -755.575 Base-Backbone interact. energy: 0.300 local terms energy: -757.304576 where: bonds (distance) C4'-P energy: -122.016 bonds (distance) P-C4' energy: -141.151 flat angles C4'-P-C4' energy: -173.362 flat angles P-C4'-P energy: -96.481 tors. eta vs tors. theta energy: -224.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -2241.444699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.444699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.444699 (E_RNA) where: Base-Base interactions energy: -1523.937 where: short stacking energy: -654.718 Base-Backbone interact. energy: 3.962 local terms energy: -721.469844 where: bonds (distance) C4'-P energy: -129.321 bonds (distance) P-C4' energy: -152.874 flat angles C4'-P-C4' energy: -144.566 flat angles P-C4'-P energy: -100.103 tors. eta vs tors. theta energy: -194.606 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: 8 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -2189.057923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.057923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.057923 (E_RNA) where: Base-Base interactions energy: -1506.106 where: short stacking energy: -628.593 Base-Backbone interact. energy: -4.952 local terms energy: -678.000133 where: bonds (distance) C4'-P energy: -121.803 bonds (distance) P-C4' energy: -148.426 flat angles C4'-P-C4' energy: -150.982 flat angles P-C4'-P energy: -94.151 tors. eta vs tors. theta energy: -162.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -2013.004833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.004833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.004833 (E_RNA) where: Base-Base interactions energy: -1360.688 where: short stacking energy: -623.160 Base-Backbone interact. energy: -5.081 local terms energy: -647.235858 where: bonds (distance) C4'-P energy: -108.267 bonds (distance) P-C4' energy: -142.313 flat angles C4'-P-C4' energy: -149.613 flat angles P-C4'-P energy: -88.490 tors. eta vs tors. theta energy: -158.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1688.720827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.720827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.720827 (E_RNA) where: Base-Base interactions energy: -1080.668 where: short stacking energy: -471.684 Base-Backbone interact. energy: -3.546 local terms energy: -605.060738 where: bonds (distance) C4'-P energy: -132.901 bonds (distance) P-C4' energy: -130.302 flat angles C4'-P-C4' energy: -141.945 flat angles P-C4'-P energy: -73.469 tors. eta vs tors. theta energy: -126.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.555 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -1600.434843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.434843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.434843 (E_RNA) where: Base-Base interactions energy: -1047.098 where: short stacking energy: -465.470 Base-Backbone interact. energy: -2.891 local terms energy: -550.445963 where: bonds (distance) C4'-P energy: -112.218 bonds (distance) P-C4' energy: -119.734 flat angles C4'-P-C4' energy: -131.056 flat angles P-C4'-P energy: -70.606 tors. eta vs tors. theta energy: -116.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -870.951676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.951676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.951676 (E_RNA) where: Base-Base interactions energy: -448.324 where: short stacking energy: -253.303 Base-Backbone interact. energy: 2.264 local terms energy: -424.891473 where: bonds (distance) C4'-P energy: -115.231 bonds (distance) P-C4' energy: -136.361 flat angles C4'-P-C4' energy: -89.027 flat angles P-C4'-P energy: -78.041 tors. eta vs tors. theta energy: -6.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -746.568751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.568751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.568751 (E_RNA) where: Base-Base interactions energy: -358.036 where: short stacking energy: -220.270 Base-Backbone interact. energy: -3.373 local terms energy: -385.160063 where: bonds (distance) C4'-P energy: -103.468 bonds (distance) P-C4' energy: -116.316 flat angles C4'-P-C4' energy: -102.100 flat angles P-C4'-P energy: -56.741 tors. eta vs tors. theta energy: -6.535 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: 1, replica: 3 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -2620.945714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.945714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.945714 (E_RNA) where: Base-Base interactions energy: -1795.292 where: short stacking energy: -798.308 Base-Backbone interact. energy: -1.849 local terms energy: -823.805159 where: bonds (distance) C4'-P energy: -157.695 bonds (distance) P-C4' energy: -146.914 flat angles C4'-P-C4' energy: -168.437 flat angles P-C4'-P energy: -108.998 tors. eta vs tors. theta energy: -241.761 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: 7 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -2487.740029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.740029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.740029 (E_RNA) where: Base-Base interactions energy: -1726.543 where: short stacking energy: -727.967 Base-Backbone interact. energy: 0.940 local terms energy: -762.137226 where: bonds (distance) C4'-P energy: -125.332 bonds (distance) P-C4' energy: -147.274 flat angles C4'-P-C4' energy: -165.365 flat angles P-C4'-P energy: -109.242 tors. eta vs tors. theta energy: -214.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -2443.339037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.339037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.339037 (E_RNA) where: Base-Base interactions energy: -1677.518 where: short stacking energy: -728.043 Base-Backbone interact. energy: -2.945 local terms energy: -762.876283 where: bonds (distance) C4'-P energy: -126.001 bonds (distance) P-C4' energy: -139.148 flat angles C4'-P-C4' energy: -169.203 flat angles P-C4'-P energy: -109.972 tors. eta vs tors. theta energy: -218.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -2208.894695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.894695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.894695 (E_RNA) where: Base-Base interactions energy: -1511.002 where: short stacking energy: -646.362 Base-Backbone interact. energy: -0.494 local terms energy: -697.676572 where: bonds (distance) C4'-P energy: -123.538 bonds (distance) P-C4' energy: -126.398 flat angles C4'-P-C4' energy: -153.591 flat angles P-C4'-P energy: -102.025 tors. eta vs tors. theta energy: -192.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.278 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -2113.540800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.540800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.540800 (E_RNA) where: Base-Base interactions energy: -1456.579 where: short stacking energy: -576.217 Base-Backbone interact. energy: -0.565 local terms energy: -656.396829 where: bonds (distance) C4'-P energy: -136.397 bonds (distance) P-C4' energy: -118.574 flat angles C4'-P-C4' energy: -152.900 flat angles P-C4'-P energy: -85.833 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: 6, replica: 1 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -2035.882683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.882683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.882683 (E_RNA) where: Base-Base interactions energy: -1352.556 where: short stacking energy: -602.981 Base-Backbone interact. energy: 2.296 local terms energy: -685.622244 where: bonds (distance) C4'-P energy: -104.983 bonds (distance) P-C4' energy: -159.701 flat angles C4'-P-C4' energy: -149.496 flat angles P-C4'-P energy: -110.113 tors. eta vs tors. theta energy: -161.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -1651.122152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.122152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.122152 (E_RNA) where: Base-Base interactions energy: -1081.761 where: short stacking energy: -471.610 Base-Backbone interact. energy: 0.088 local terms energy: -569.449248 where: bonds (distance) C4'-P energy: -129.781 bonds (distance) P-C4' energy: -135.447 flat angles C4'-P-C4' energy: -125.973 flat angles P-C4'-P energy: -86.405 tors. eta vs tors. theta energy: -91.843 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: 5 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -1514.247628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.247628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.247628 (E_RNA) where: Base-Base interactions energy: -963.593 where: short stacking energy: -447.915 Base-Backbone interact. energy: -2.392 local terms energy: -548.262236 where: bonds (distance) C4'-P energy: -126.794 bonds (distance) P-C4' energy: -137.931 flat angles C4'-P-C4' energy: -109.265 flat angles P-C4'-P energy: -68.255 tors. eta vs tors. theta energy: -106.017 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: 6 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -853.898717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.898717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.898717 (E_RNA) where: Base-Base interactions energy: -438.448 where: short stacking energy: -255.026 Base-Backbone interact. energy: -1.729 local terms energy: -413.721568 where: bonds (distance) C4'-P energy: -125.019 bonds (distance) P-C4' energy: -132.743 flat angles C4'-P-C4' energy: -100.986 flat angles P-C4'-P energy: -45.756 tors. eta vs tors. theta energy: -9.217 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: 10 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -696.501748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.501748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.501748 (E_RNA) where: Base-Base interactions energy: -298.919 where: short stacking energy: -198.035 Base-Backbone interact. energy: -0.238 local terms energy: -397.344536 where: bonds (distance) C4'-P energy: -126.667 bonds (distance) P-C4' energy: -103.983 flat angles C4'-P-C4' energy: -95.219 flat angles P-C4'-P energy: -62.643 tors. eta vs tors. theta energy: -8.832 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: 1, replica: 3 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -2619.257485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.257485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.257485 (E_RNA) where: Base-Base interactions energy: -1792.724 where: short stacking energy: -774.571 Base-Backbone interact. energy: -3.431 local terms energy: -823.102602 where: bonds (distance) C4'-P energy: -137.635 bonds (distance) P-C4' energy: -151.967 flat angles C4'-P-C4' energy: -178.404 flat angles P-C4'-P energy: -122.029 tors. eta vs tors. theta energy: -233.068 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: 476 Temperature: 0.950000 Total energy: -2504.531423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.531423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.531423 (E_RNA) where: Base-Base interactions energy: -1733.213 where: short stacking energy: -766.948 Base-Backbone interact. energy: 0.056 local terms energy: -771.374270 where: bonds (distance) C4'-P energy: -132.406 bonds (distance) P-C4' energy: -153.075 flat angles C4'-P-C4' energy: -167.960 flat angles P-C4'-P energy: -97.197 tors. eta vs tors. theta energy: -220.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -2456.862193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.862193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.862193 (E_RNA) where: Base-Base interactions energy: -1697.512 where: short stacking energy: -723.474 Base-Backbone interact. energy: 2.330 local terms energy: -761.679451 where: bonds (distance) C4'-P energy: -142.405 bonds (distance) P-C4' energy: -145.912 flat angles C4'-P-C4' energy: -163.979 flat angles P-C4'-P energy: -101.724 tors. eta vs tors. theta energy: -207.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -2269.032460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.032460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.032460 (E_RNA) where: Base-Base interactions energy: -1553.534 where: short stacking energy: -672.703 Base-Backbone interact. energy: 6.068 local terms energy: -721.566277 where: bonds (distance) C4'-P energy: -152.569 bonds (distance) P-C4' energy: -136.799 flat angles C4'-P-C4' energy: -149.020 flat angles P-C4'-P energy: -97.514 tors. eta vs tors. theta energy: -185.663 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: 8 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -2131.935654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.935654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.935654 (E_RNA) where: Base-Base interactions energy: -1449.518 where: short stacking energy: -599.482 Base-Backbone interact. energy: 2.076 local terms energy: -684.494389 where: bonds (distance) C4'-P energy: -135.842 bonds (distance) P-C4' energy: -142.254 flat angles C4'-P-C4' energy: -159.896 flat angles P-C4'-P energy: -87.777 tors. eta vs tors. theta energy: -158.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -2031.251641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.251641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.251641 (E_RNA) where: Base-Base interactions energy: -1363.110 where: short stacking energy: -615.542 Base-Backbone interact. energy: 2.313 local terms energy: -670.455119 where: bonds (distance) C4'-P energy: -132.438 bonds (distance) P-C4' energy: -150.994 flat angles C4'-P-C4' energy: -137.366 flat angles P-C4'-P energy: -98.533 tors. eta vs tors. theta energy: -151.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1573.957716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.957716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.957716 (E_RNA) where: Base-Base interactions energy: -1058.067 where: short stacking energy: -443.508 Base-Backbone interact. energy: 3.573 local terms energy: -519.463276 where: bonds (distance) C4'-P energy: -121.578 bonds (distance) P-C4' energy: -122.299 flat angles C4'-P-C4' energy: -117.551 flat angles P-C4'-P energy: -70.974 tors. eta vs tors. theta energy: -87.061 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: 5 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -1528.678322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.678322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.678322 (E_RNA) where: Base-Base interactions energy: -980.226 where: short stacking energy: -434.535 Base-Backbone interact. energy: -1.610 local terms energy: -546.841813 where: bonds (distance) C4'-P energy: -120.429 bonds (distance) P-C4' energy: -141.503 flat angles C4'-P-C4' energy: -113.609 flat angles P-C4'-P energy: -74.432 tors. eta vs tors. theta energy: -96.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -894.077093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.077093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.077093 (E_RNA) where: Base-Base interactions energy: -475.823 where: short stacking energy: -270.216 Base-Backbone interact. energy: -4.459 local terms energy: -413.795092 where: bonds (distance) C4'-P energy: -120.803 bonds (distance) P-C4' energy: -116.432 flat angles C4'-P-C4' energy: -112.968 flat angles P-C4'-P energy: -55.496 tors. eta vs tors. theta energy: -8.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -700.994911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.994911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.994911 (E_RNA) where: Base-Base interactions energy: -305.259 where: short stacking energy: -216.490 Base-Backbone interact. energy: 8.404 local terms energy: -404.140062 where: bonds (distance) C4'-P energy: -127.921 bonds (distance) P-C4' energy: -96.671 flat angles C4'-P-C4' energy: -120.172 flat angles P-C4'-P energy: -56.390 tors. eta vs tors. theta energy: -2.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -2621.710207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.710207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.710207 (E_RNA) where: Base-Base interactions energy: -1823.026 where: short stacking energy: -776.299 Base-Backbone interact. energy: -0.178 local terms energy: -798.506336 where: bonds (distance) C4'-P energy: -148.589 bonds (distance) P-C4' energy: -151.106 flat angles C4'-P-C4' energy: -163.441 flat angles P-C4'-P energy: -111.837 tors. eta vs tors. theta energy: -223.532 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: 2, replica: 7 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -2479.471830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.471830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.471830 (E_RNA) where: Base-Base interactions energy: -1717.945 where: short stacking energy: -718.646 Base-Backbone interact. energy: -1.034 local terms energy: -760.493120 where: bonds (distance) C4'-P energy: -132.303 bonds (distance) P-C4' energy: -151.048 flat angles C4'-P-C4' energy: -158.113 flat angles P-C4'-P energy: -105.054 tors. eta vs tors. theta energy: -213.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -2483.300739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.300739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.300739 (E_RNA) where: Base-Base interactions energy: -1714.731 where: short stacking energy: -755.282 Base-Backbone interact. energy: 0.685 local terms energy: -769.255150 where: bonds (distance) C4'-P energy: -129.431 bonds (distance) P-C4' energy: -141.622 flat angles C4'-P-C4' energy: -172.367 flat angles P-C4'-P energy: -97.245 tors. eta vs tors. theta energy: -228.590 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: 2 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -2248.042842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.042842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.042842 (E_RNA) where: Base-Base interactions energy: -1518.271 where: short stacking energy: -659.862 Base-Backbone interact. energy: 2.074 local terms energy: -731.845464 where: bonds (distance) C4'-P energy: -130.597 bonds (distance) P-C4' energy: -156.776 flat angles C4'-P-C4' energy: -157.056 flat angles P-C4'-P energy: -105.891 tors. eta vs tors. theta energy: -181.525 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: 8 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -2122.787584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.787584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.787584 (E_RNA) where: Base-Base interactions energy: -1445.014 where: short stacking energy: -588.602 Base-Backbone interact. energy: -1.789 local terms energy: -675.984459 where: bonds (distance) C4'-P energy: -126.217 bonds (distance) P-C4' energy: -143.013 flat angles C4'-P-C4' energy: -151.185 flat angles P-C4'-P energy: -91.605 tors. eta vs tors. theta energy: -163.964 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: 6, replica: 1 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -2074.358885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.358885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.358885 (E_RNA) where: Base-Base interactions energy: -1378.684 where: short stacking energy: -611.531 Base-Backbone interact. energy: -3.442 local terms energy: -692.685569 where: bonds (distance) C4'-P energy: -128.160 bonds (distance) P-C4' energy: -137.324 flat angles C4'-P-C4' energy: -160.749 flat angles P-C4'-P energy: -101.932 tors. eta vs tors. theta energy: -164.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.453 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1695.655176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.655176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.655176 (E_RNA) where: Base-Base interactions energy: -1116.910 where: short stacking energy: -474.080 Base-Backbone interact. energy: 1.521 local terms energy: -580.266188 where: bonds (distance) C4'-P energy: -126.956 bonds (distance) P-C4' energy: -131.873 flat angles C4'-P-C4' energy: -134.560 flat angles P-C4'-P energy: -79.729 tors. eta vs tors. theta energy: -107.149 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: 5 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -1522.324313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.324313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.324313 (E_RNA) where: Base-Base interactions energy: -960.196 where: short stacking energy: -424.707 Base-Backbone interact. energy: 1.424 local terms energy: -563.551994 where: bonds (distance) C4'-P energy: -102.851 bonds (distance) P-C4' energy: -148.787 flat angles C4'-P-C4' energy: -146.785 flat angles P-C4'-P energy: -73.279 tors. eta vs tors. theta energy: -91.851 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: 9, replica: 6 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -870.359205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.359205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.359205 (E_RNA) where: Base-Base interactions energy: -444.570 where: short stacking energy: -253.149 Base-Backbone interact. energy: 1.377 local terms energy: -427.166407 where: bonds (distance) C4'-P energy: -116.651 bonds (distance) P-C4' energy: -139.996 flat angles C4'-P-C4' energy: -108.236 flat angles P-C4'-P energy: -59.549 tors. eta vs tors. theta energy: -2.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -683.708796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.708796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.708796 (E_RNA) where: Base-Base interactions energy: -317.856 where: short stacking energy: -198.153 Base-Backbone interact. energy: 5.324 local terms energy: -371.177568 where: bonds (distance) C4'-P energy: -103.118 bonds (distance) P-C4' energy: -101.149 flat angles C4'-P-C4' energy: -87.817 flat angles P-C4'-P energy: -82.733 tors. eta vs tors. theta energy: 3.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -2611.397769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.397769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.397769 (E_RNA) where: Base-Base interactions energy: -1805.489 where: short stacking energy: -790.274 Base-Backbone interact. energy: -2.272 local terms energy: -803.636246 where: bonds (distance) C4'-P energy: -142.775 bonds (distance) P-C4' energy: -141.336 flat angles C4'-P-C4' energy: -174.189 flat angles P-C4'-P energy: -110.740 tors. eta vs tors. theta energy: -234.596 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: 478 Temperature: 0.950000 Total energy: -2493.784487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.784487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.784487 (E_RNA) where: Base-Base interactions energy: -1715.858 where: short stacking energy: -723.480 Base-Backbone interact. energy: -0.470 local terms energy: -777.456020 where: bonds (distance) C4'-P energy: -144.484 bonds (distance) P-C4' energy: -148.247 flat angles C4'-P-C4' energy: -173.882 flat angles P-C4'-P energy: -109.396 tors. eta vs tors. theta energy: -201.447 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: 3, replica: 9 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -2478.047401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.047401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.047401 (E_RNA) where: Base-Base interactions energy: -1676.137 where: short stacking energy: -726.206 Base-Backbone interact. energy: -2.209 local terms energy: -799.701108 where: bonds (distance) C4'-P energy: -137.074 bonds (distance) P-C4' energy: -150.363 flat angles C4'-P-C4' energy: -172.210 flat angles P-C4'-P energy: -112.722 tors. eta vs tors. theta energy: -227.333 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: 4, replica: 2 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -2254.688512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.688512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.688512 (E_RNA) where: Base-Base interactions energy: -1566.068 where: short stacking energy: -678.289 Base-Backbone interact. energy: -2.103 local terms energy: -686.517987 where: bonds (distance) C4'-P energy: -118.606 bonds (distance) P-C4' energy: -136.280 flat angles C4'-P-C4' energy: -157.834 flat angles P-C4'-P energy: -87.516 tors. eta vs tors. theta energy: -186.283 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: 8 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -2155.849850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.849850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.849850 (E_RNA) where: Base-Base interactions energy: -1454.404 where: short stacking energy: -618.552 Base-Backbone interact. energy: -2.034 local terms energy: -699.411756 where: bonds (distance) C4'-P energy: -133.831 bonds (distance) P-C4' energy: -143.822 flat angles C4'-P-C4' energy: -157.153 flat angles P-C4'-P energy: -101.640 tors. eta vs tors. theta energy: -162.967 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: 6, replica: 1 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -2074.460693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.460693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.460693 (E_RNA) where: Base-Base interactions energy: -1410.477 where: short stacking energy: -625.991 Base-Backbone interact. energy: -2.477 local terms energy: -661.506834 where: bonds (distance) C4'-P energy: -134.722 bonds (distance) P-C4' energy: -115.621 flat angles C4'-P-C4' energy: -151.540 flat angles P-C4'-P energy: -104.174 tors. eta vs tors. theta energy: -155.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1695.484737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.484737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.484737 (E_RNA) where: Base-Base interactions energy: -1155.060 where: short stacking energy: -505.325 Base-Backbone interact. energy: 1.128 local terms energy: -541.552199 where: bonds (distance) C4'-P energy: -127.699 bonds (distance) P-C4' energy: -127.967 flat angles C4'-P-C4' energy: -112.711 flat angles P-C4'-P energy: -79.016 tors. eta vs tors. theta energy: -94.159 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: 5 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -1569.392873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.392873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.392873 (E_RNA) where: Base-Base interactions energy: -1011.527 where: short stacking energy: -446.256 Base-Backbone interact. energy: -2.651 local terms energy: -555.214714 where: bonds (distance) C4'-P energy: -127.098 bonds (distance) P-C4' energy: -128.267 flat angles C4'-P-C4' energy: -118.713 flat angles P-C4'-P energy: -93.401 tors. eta vs tors. theta energy: -87.735 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: 6 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -864.008191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.008191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.008191 (E_RNA) where: Base-Base interactions energy: -437.428 where: short stacking energy: -242.998 Base-Backbone interact. energy: -1.927 local terms energy: -424.653808 where: bonds (distance) C4'-P energy: -108.846 bonds (distance) P-C4' energy: -132.220 flat angles C4'-P-C4' energy: -112.127 flat angles P-C4'-P energy: -70.070 tors. eta vs tors. theta energy: -1.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -655.374291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.374291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.374291 (E_RNA) where: Base-Base interactions energy: -297.079 where: short stacking energy: -196.222 Base-Backbone interact. energy: 0.465 local terms energy: -358.760278 where: bonds (distance) C4'-P energy: -118.921 bonds (distance) P-C4' energy: -109.402 flat angles C4'-P-C4' energy: -97.422 flat angles P-C4'-P energy: -49.214 tors. eta vs tors. theta energy: 16.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -2626.444926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.444926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.444926 (E_RNA) where: Base-Base interactions energy: -1803.203 where: short stacking energy: -788.656 Base-Backbone interact. energy: -1.864 local terms energy: -821.378521 where: bonds (distance) C4'-P energy: -142.502 bonds (distance) P-C4' energy: -155.180 flat angles C4'-P-C4' energy: -173.213 flat angles P-C4'-P energy: -116.151 tors. eta vs tors. theta energy: -234.332 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: 9 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -2498.828943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.828943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.828943 (E_RNA) where: Base-Base interactions energy: -1695.913 where: short stacking energy: -736.479 Base-Backbone interact. energy: -2.284 local terms energy: -800.632286 where: bonds (distance) C4'-P energy: -153.611 bonds (distance) P-C4' energy: -158.515 flat angles C4'-P-C4' energy: -169.704 flat angles P-C4'-P energy: -94.475 tors. eta vs tors. theta energy: -224.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -2421.408831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.408831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.408831 (E_RNA) where: Base-Base interactions energy: -1682.881 where: short stacking energy: -677.901 Base-Backbone interact. energy: -5.413 local terms energy: -733.114758 where: bonds (distance) C4'-P energy: -135.599 bonds (distance) P-C4' energy: -138.865 flat angles C4'-P-C4' energy: -166.214 flat angles P-C4'-P energy: -99.861 tors. eta vs tors. theta energy: -192.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -2278.837482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.837482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.837482 (E_RNA) where: Base-Base interactions energy: -1549.741 where: short stacking energy: -684.018 Base-Backbone interact. energy: -3.807 local terms energy: -726.420459 where: bonds (distance) C4'-P energy: -141.586 bonds (distance) P-C4' energy: -128.728 flat angles C4'-P-C4' energy: -156.006 flat angles P-C4'-P energy: -102.593 tors. eta vs tors. theta energy: -197.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.131 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -2236.457994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.457994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.457994 (E_RNA) where: Base-Base interactions energy: -1537.147 where: short stacking energy: -659.088 Base-Backbone interact. energy: -2.675 local terms energy: -696.636071 where: bonds (distance) C4'-P energy: -128.504 bonds (distance) P-C4' energy: -145.307 flat angles C4'-P-C4' energy: -148.364 flat angles P-C4'-P energy: -89.199 tors. eta vs tors. theta energy: -185.262 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: 6, replica: 1 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -2034.216170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.216170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.216170 (E_RNA) where: Base-Base interactions energy: -1350.862 where: short stacking energy: -615.153 Base-Backbone interact. energy: 1.605 local terms energy: -684.959615 where: bonds (distance) C4'-P energy: -112.477 bonds (distance) P-C4' energy: -155.486 flat angles C4'-P-C4' energy: -155.657 flat angles P-C4'-P energy: -87.087 tors. eta vs tors. theta energy: -174.253 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: 4 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1643.726839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.726839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.726839 (E_RNA) where: Base-Base interactions energy: -1072.871 where: short stacking energy: -450.966 Base-Backbone interact. energy: -0.345 local terms energy: -570.510612 where: bonds (distance) C4'-P energy: -126.897 bonds (distance) P-C4' energy: -123.887 flat angles C4'-P-C4' energy: -134.582 flat angles P-C4'-P energy: -89.292 tors. eta vs tors. theta energy: -95.852 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: 5 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1512.020799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.020799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.020799 (E_RNA) where: Base-Base interactions energy: -973.241 where: short stacking energy: -420.211 Base-Backbone interact. energy: -1.466 local terms energy: -537.314095 where: bonds (distance) C4'-P energy: -118.232 bonds (distance) P-C4' energy: -123.662 flat angles C4'-P-C4' energy: -137.061 flat angles P-C4'-P energy: -78.704 tors. eta vs tors. theta energy: -79.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -787.410682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.410682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.410682 (E_RNA) where: Base-Base interactions energy: -394.205 where: short stacking energy: -251.051 Base-Backbone interact. energy: 5.381 local terms energy: -398.586358 where: bonds (distance) C4'-P energy: -120.386 bonds (distance) P-C4' energy: -112.577 flat angles C4'-P-C4' energy: -104.853 flat angles P-C4'-P energy: -54.135 tors. eta vs tors. theta energy: -6.636 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: 10, replica: 10 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -673.953100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.953100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.953100 (E_RNA) where: Base-Base interactions energy: -288.503 where: short stacking energy: -188.234 Base-Backbone interact. energy: 2.478 local terms energy: -387.927501 where: bonds (distance) C4'-P energy: -121.765 bonds (distance) P-C4' energy: -118.536 flat angles C4'-P-C4' energy: -100.831 flat angles P-C4'-P energy: -62.316 tors. eta vs tors. theta energy: 15.521 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: 1, replica: 3 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -2672.864315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.864315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.864315 (E_RNA) where: Base-Base interactions energy: -1833.953 where: short stacking energy: -774.820 Base-Backbone interact. energy: -4.619 local terms energy: -834.291976 where: bonds (distance) C4'-P energy: -146.783 bonds (distance) P-C4' energy: -162.387 flat angles C4'-P-C4' energy: -176.653 flat angles P-C4'-P energy: -111.017 tors. eta vs tors. theta energy: -237.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -2451.461357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.461357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.461357 (E_RNA) where: Base-Base interactions energy: -1705.801 where: short stacking energy: -725.190 Base-Backbone interact. energy: -2.250 local terms energy: -743.410692 where: bonds (distance) C4'-P energy: -145.357 bonds (distance) P-C4' energy: -125.339 flat angles C4'-P-C4' energy: -160.800 flat angles P-C4'-P energy: -98.402 tors. eta vs tors. theta energy: -213.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -2451.805004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.805004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.805004 (E_RNA) where: Base-Base interactions energy: -1682.899 where: short stacking energy: -717.675 Base-Backbone interact. energy: -1.813 local terms energy: -767.092583 where: bonds (distance) C4'-P energy: -138.930 bonds (distance) P-C4' energy: -136.317 flat angles C4'-P-C4' energy: -174.092 flat angles P-C4'-P energy: -110.465 tors. eta vs tors. theta energy: -207.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -2291.249336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.249336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.249336 (E_RNA) where: Base-Base interactions energy: -1560.633 where: short stacking energy: -661.798 Base-Backbone interact. energy: 1.249 local terms energy: -731.865390 where: bonds (distance) C4'-P energy: -134.291 bonds (distance) P-C4' energy: -139.624 flat angles C4'-P-C4' energy: -167.237 flat angles P-C4'-P energy: -94.919 tors. eta vs tors. theta energy: -195.795 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: 8 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -2195.552236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.552236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.552236 (E_RNA) where: Base-Base interactions energy: -1533.049 where: short stacking energy: -635.904 Base-Backbone interact. energy: -1.675 local terms energy: -660.828159 where: bonds (distance) C4'-P energy: -117.853 bonds (distance) P-C4' energy: -125.488 flat angles C4'-P-C4' energy: -145.965 flat angles P-C4'-P energy: -102.144 tors. eta vs tors. theta energy: -169.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -2017.696561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.696561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.696561 (E_RNA) where: Base-Base interactions energy: -1357.676 where: short stacking energy: -570.113 Base-Backbone interact. energy: 0.017 local terms energy: -660.037850 where: bonds (distance) C4'-P energy: -140.180 bonds (distance) P-C4' energy: -128.290 flat angles C4'-P-C4' energy: -153.660 flat angles P-C4'-P energy: -80.628 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: 7, replica: 4 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -1683.413204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.413204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.413204 (E_RNA) where: Base-Base interactions energy: -1105.562 where: short stacking energy: -487.134 Base-Backbone interact. energy: 0.742 local terms energy: -578.593662 where: bonds (distance) C4'-P energy: -123.816 bonds (distance) P-C4' energy: -133.000 flat angles C4'-P-C4' energy: -139.453 flat angles P-C4'-P energy: -73.318 tors. eta vs tors. theta energy: -109.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -1534.657074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.657074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.657074 (E_RNA) where: Base-Base interactions energy: -982.034 where: short stacking energy: -416.451 Base-Backbone interact. energy: -1.115 local terms energy: -551.508267 where: bonds (distance) C4'-P energy: -117.989 bonds (distance) P-C4' energy: -136.244 flat angles C4'-P-C4' energy: -131.831 flat angles P-C4'-P energy: -78.221 tors. eta vs tors. theta energy: -87.223 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: 9, replica: 6 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -828.001035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.001035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.001035 (E_RNA) where: Base-Base interactions energy: -404.855 where: short stacking energy: -243.857 Base-Backbone interact. energy: 5.605 local terms energy: -428.750457 where: bonds (distance) C4'-P energy: -124.340 bonds (distance) P-C4' energy: -129.404 flat angles C4'-P-C4' energy: -93.380 flat angles P-C4'-P energy: -66.975 tors. eta vs tors. theta energy: -14.652 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: 10 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -681.469237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.469237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.469237 (E_RNA) where: Base-Base interactions energy: -325.309 where: short stacking energy: -205.028 Base-Backbone interact. energy: 3.721 local terms energy: -359.881802 where: bonds (distance) C4'-P energy: -91.150 bonds (distance) P-C4' energy: -108.602 flat angles C4'-P-C4' energy: -93.604 flat angles P-C4'-P energy: -71.237 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: 1, replica: 3 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -2629.314665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.314665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.314665 (E_RNA) where: Base-Base interactions energy: -1795.422 where: short stacking energy: -762.929 Base-Backbone interact. energy: -3.422 local terms energy: -830.470235 where: bonds (distance) C4'-P energy: -162.677 bonds (distance) P-C4' energy: -151.154 flat angles C4'-P-C4' energy: -172.839 flat angles P-C4'-P energy: -114.049 tors. eta vs tors. theta energy: -229.751 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: 9 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -2486.915056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.915056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.915056 (E_RNA) where: Base-Base interactions energy: -1709.804 where: short stacking energy: -734.034 Base-Backbone interact. energy: -1.734 local terms energy: -775.377054 where: bonds (distance) C4'-P energy: -137.053 bonds (distance) P-C4' energy: -142.537 flat angles C4'-P-C4' energy: -175.257 flat angles P-C4'-P energy: -109.125 tors. eta vs tors. theta energy: -211.404 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: 7 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -2426.862140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.862140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.862140 (E_RNA) where: Base-Base interactions energy: -1707.744 where: short stacking energy: -698.054 Base-Backbone interact. energy: 0.316 local terms energy: -719.434083 where: bonds (distance) C4'-P energy: -143.152 bonds (distance) P-C4' energy: -129.857 flat angles C4'-P-C4' energy: -157.526 flat angles P-C4'-P energy: -96.374 tors. eta vs tors. theta energy: -192.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -2246.455196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.455196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.455196 (E_RNA) where: Base-Base interactions energy: -1544.486 where: short stacking energy: -642.650 Base-Backbone interact. energy: -6.055 local terms energy: -695.914289 where: bonds (distance) C4'-P energy: -121.912 bonds (distance) P-C4' energy: -145.738 flat angles C4'-P-C4' energy: -149.135 flat angles P-C4'-P energy: -96.899 tors. eta vs tors. theta energy: -182.230 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: 2 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -2240.148846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.148846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.148846 (E_RNA) where: Base-Base interactions energy: -1546.686 where: short stacking energy: -650.143 Base-Backbone interact. energy: -1.678 local terms energy: -692.776209 where: bonds (distance) C4'-P energy: -144.150 bonds (distance) P-C4' energy: -135.536 flat angles C4'-P-C4' energy: -149.500 flat angles P-C4'-P energy: -99.996 tors. eta vs tors. theta energy: -163.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.991 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -1990.660605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.660605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.660605 (E_RNA) where: Base-Base interactions energy: -1352.815 where: short stacking energy: -582.521 Base-Backbone interact. energy: 0.454 local terms energy: -638.299611 where: bonds (distance) C4'-P energy: -121.498 bonds (distance) P-C4' energy: -125.050 flat angles C4'-P-C4' energy: -150.258 flat angles P-C4'-P energy: -89.258 tors. eta vs tors. theta energy: -152.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -1700.002957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.002957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.002957 (E_RNA) where: Base-Base interactions energy: -1145.207 where: short stacking energy: -488.880 Base-Backbone interact. energy: -1.356 local terms energy: -553.440241 where: bonds (distance) C4'-P energy: -111.080 bonds (distance) P-C4' energy: -129.742 flat angles C4'-P-C4' energy: -116.807 flat angles P-C4'-P energy: -82.400 tors. eta vs tors. theta energy: -113.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -1526.266142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.266142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.266142 (E_RNA) where: Base-Base interactions energy: -1016.420 where: short stacking energy: -435.616 Base-Backbone interact. energy: -6.626 local terms energy: -503.220355 where: bonds (distance) C4'-P energy: -122.357 bonds (distance) P-C4' energy: -104.665 flat angles C4'-P-C4' energy: -125.473 flat angles P-C4'-P energy: -68.941 tors. eta vs tors. theta energy: -81.783 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: 6 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -880.920719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.920719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.920719 (E_RNA) where: Base-Base interactions energy: -462.375 where: short stacking energy: -240.274 Base-Backbone interact. energy: 2.205 local terms energy: -420.750802 where: bonds (distance) C4'-P energy: -109.897 bonds (distance) P-C4' energy: -128.287 flat angles C4'-P-C4' energy: -101.558 flat angles P-C4'-P energy: -76.828 tors. eta vs tors. theta energy: -4.181 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: 10 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -698.385960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.385960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.385960 (E_RNA) where: Base-Base interactions energy: -301.665 where: short stacking energy: -165.147 Base-Backbone interact. energy: 5.435 local terms energy: -402.155987 where: bonds (distance) C4'-P energy: -114.337 bonds (distance) P-C4' energy: -144.287 flat angles C4'-P-C4' energy: -112.449 flat angles P-C4'-P energy: -55.301 tors. eta vs tors. theta energy: 24.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -2658.384535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.384535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.384535 (E_RNA) where: Base-Base interactions energy: -1817.582 where: short stacking energy: -778.493 Base-Backbone interact. energy: 1.194 local terms energy: -841.996861 where: bonds (distance) C4'-P energy: -156.693 bonds (distance) P-C4' energy: -145.162 flat angles C4'-P-C4' energy: -171.467 flat angles P-C4'-P energy: -124.784 tors. eta vs tors. theta energy: -243.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -2494.144532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.144532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.144532 (E_RNA) where: Base-Base interactions energy: -1713.743 where: short stacking energy: -733.368 Base-Backbone interact. energy: -2.469 local terms energy: -777.932417 where: bonds (distance) C4'-P energy: -143.527 bonds (distance) P-C4' energy: -140.352 flat angles C4'-P-C4' energy: -173.819 flat angles P-C4'-P energy: -99.827 tors. eta vs tors. theta energy: -220.407 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: 3, replica: 7 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -2414.453333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.453333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.453333 (E_RNA) where: Base-Base interactions energy: -1681.871 where: short stacking energy: -690.760 Base-Backbone interact. energy: 1.504 local terms energy: -734.087135 where: bonds (distance) C4'-P energy: -133.413 bonds (distance) P-C4' energy: -128.724 flat angles C4'-P-C4' energy: -164.092 flat angles P-C4'-P energy: -101.611 tors. eta vs tors. theta energy: -206.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -2261.054888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.054888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.054888 (E_RNA) where: Base-Base interactions energy: -1539.311 where: short stacking energy: -633.804 Base-Backbone interact. energy: -4.780 local terms energy: -716.963546 where: bonds (distance) C4'-P energy: -122.751 bonds (distance) P-C4' energy: -145.996 flat angles C4'-P-C4' energy: -169.748 flat angles P-C4'-P energy: -85.933 tors. eta vs tors. theta energy: -192.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -2206.471010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.471010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.471010 (E_RNA) where: Base-Base interactions energy: -1531.022 where: short stacking energy: -613.875 Base-Backbone interact. energy: -2.103 local terms energy: -673.345854 where: bonds (distance) C4'-P energy: -151.461 bonds (distance) P-C4' energy: -137.403 flat angles C4'-P-C4' energy: -150.295 flat angles P-C4'-P energy: -72.778 tors. eta vs tors. theta energy: -161.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -2090.267309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.267309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.267309 (E_RNA) where: Base-Base interactions energy: -1400.990 where: short stacking energy: -622.423 Base-Backbone interact. energy: -1.561 local terms energy: -687.715896 where: bonds (distance) C4'-P energy: -130.250 bonds (distance) P-C4' energy: -133.971 flat angles C4'-P-C4' energy: -158.132 flat angles P-C4'-P energy: -94.652 tors. eta vs tors. theta energy: -170.711 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: 4 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -1613.621494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.621494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.621494 (E_RNA) where: Base-Base interactions energy: -1057.244 where: short stacking energy: -474.311 Base-Backbone interact. energy: -1.197 local terms energy: -555.179833 where: bonds (distance) C4'-P energy: -118.429 bonds (distance) P-C4' energy: -128.275 flat angles C4'-P-C4' energy: -132.639 flat angles P-C4'-P energy: -76.602 tors. eta vs tors. theta energy: -99.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -1519.046372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.046372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.046372 (E_RNA) where: Base-Base interactions energy: -993.659 where: short stacking energy: -445.412 Base-Backbone interact. energy: -1.451 local terms energy: -523.936229 where: bonds (distance) C4'-P energy: -114.262 bonds (distance) P-C4' energy: -114.474 flat angles C4'-P-C4' energy: -125.161 flat angles P-C4'-P energy: -72.724 tors. eta vs tors. theta energy: -97.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -897.585952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.585952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.585952 (E_RNA) where: Base-Base interactions energy: -492.991 where: short stacking energy: -264.786 Base-Backbone interact. energy: 1.146 local terms energy: -405.740317 where: bonds (distance) C4'-P energy: -104.477 bonds (distance) P-C4' energy: -120.592 flat angles C4'-P-C4' energy: -109.645 flat angles P-C4'-P energy: -55.729 tors. eta vs tors. theta energy: -15.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -703.421462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.421462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.421462 (E_RNA) where: Base-Base interactions energy: -336.779 where: short stacking energy: -184.355 Base-Backbone interact. energy: 1.915 local terms energy: -368.558123 where: bonds (distance) C4'-P energy: -127.477 bonds (distance) P-C4' energy: -124.209 flat angles C4'-P-C4' energy: -98.048 flat angles P-C4'-P energy: -62.165 tors. eta vs tors. theta energy: 43.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -2628.883795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.883795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.883795 (E_RNA) where: Base-Base interactions energy: -1797.354 where: short stacking energy: -772.081 Base-Backbone interact. energy: 0.607 local terms energy: -832.136947 where: bonds (distance) C4'-P energy: -141.026 bonds (distance) P-C4' energy: -160.045 flat angles C4'-P-C4' energy: -171.170 flat angles P-C4'-P energy: -123.825 tors. eta vs tors. theta energy: -236.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -2491.229084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.229084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.229084 (E_RNA) where: Base-Base interactions energy: -1726.084 where: short stacking energy: -746.116 Base-Backbone interact. energy: -2.326 local terms energy: -762.819955 where: bonds (distance) C4'-P energy: -137.236 bonds (distance) P-C4' energy: -156.708 flat angles C4'-P-C4' energy: -155.714 flat angles P-C4'-P energy: -96.587 tors. eta vs tors. theta energy: -216.575 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: 9 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -2428.973760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.973760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.973760 (E_RNA) where: Base-Base interactions energy: -1676.458 where: short stacking energy: -701.201 Base-Backbone interact. energy: 2.163 local terms energy: -754.679113 where: bonds (distance) C4'-P energy: -148.394 bonds (distance) P-C4' energy: -134.261 flat angles C4'-P-C4' energy: -155.959 flat angles P-C4'-P energy: -104.619 tors. eta vs tors. theta energy: -211.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -2191.935538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.935538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.935538 (E_RNA) where: Base-Base interactions energy: -1516.251 where: short stacking energy: -639.634 Base-Backbone interact. energy: 1.822 local terms energy: -677.506450 where: bonds (distance) C4'-P energy: -140.590 bonds (distance) P-C4' energy: -126.360 flat angles C4'-P-C4' energy: -151.476 flat angles P-C4'-P energy: -91.885 tors. eta vs tors. theta energy: -167.196 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: 5, replica: 2 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -2126.659373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.659373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.659373 (E_RNA) where: Base-Base interactions energy: -1442.208 where: short stacking energy: -620.893 Base-Backbone interact. energy: -3.180 local terms energy: -681.270760 where: bonds (distance) C4'-P energy: -130.764 bonds (distance) P-C4' energy: -130.911 flat angles C4'-P-C4' energy: -147.326 flat angles P-C4'-P energy: -103.916 tors. eta vs tors. theta energy: -168.354 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: 6, replica: 1 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -2073.619609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.619609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.619609 (E_RNA) where: Base-Base interactions energy: -1420.879 where: short stacking energy: -607.457 Base-Backbone interact. energy: 1.865 local terms energy: -654.605222 where: bonds (distance) C4'-P energy: -113.709 bonds (distance) P-C4' energy: -130.707 flat angles C4'-P-C4' energy: -137.228 flat angles P-C4'-P energy: -108.094 tors. eta vs tors. theta energy: -164.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -1555.878157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.878157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.878157 (E_RNA) where: Base-Base interactions energy: -997.639 where: short stacking energy: -464.707 Base-Backbone interact. energy: 2.195 local terms energy: -560.433951 where: bonds (distance) C4'-P energy: -135.471 bonds (distance) P-C4' energy: -130.980 flat angles C4'-P-C4' energy: -116.567 flat angles P-C4'-P energy: -88.101 tors. eta vs tors. theta energy: -89.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -1473.729712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.729712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.729712 (E_RNA) where: Base-Base interactions energy: -922.189 where: short stacking energy: -399.992 Base-Backbone interact. energy: -0.430 local terms energy: -551.110219 where: bonds (distance) C4'-P energy: -133.536 bonds (distance) P-C4' energy: -126.687 flat angles C4'-P-C4' energy: -138.058 flat angles P-C4'-P energy: -82.416 tors. eta vs tors. theta energy: -70.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -887.014940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.014940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.014940 (E_RNA) where: Base-Base interactions energy: -484.594 where: short stacking energy: -240.043 Base-Backbone interact. energy: -1.528 local terms energy: -400.892737 where: bonds (distance) C4'-P energy: -132.304 bonds (distance) P-C4' energy: -134.912 flat angles C4'-P-C4' energy: -94.634 flat angles P-C4'-P energy: -60.255 tors. eta vs tors. theta energy: 21.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -731.694589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.694589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.694589 (E_RNA) where: Base-Base interactions energy: -361.764 where: short stacking energy: -221.767 Base-Backbone interact. energy: 1.639 local terms energy: -371.569382 where: bonds (distance) C4'-P energy: -94.678 bonds (distance) P-C4' energy: -122.445 flat angles C4'-P-C4' energy: -96.545 flat angles P-C4'-P energy: -63.194 tors. eta vs tors. theta energy: 5.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -2626.636545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.636545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.636545 (E_RNA) where: Base-Base interactions energy: -1805.676 where: short stacking energy: -773.594 Base-Backbone interact. energy: -1.857 local terms energy: -819.103550 where: bonds (distance) C4'-P energy: -151.529 bonds (distance) P-C4' energy: -160.542 flat angles C4'-P-C4' energy: -157.450 flat angles P-C4'-P energy: -112.822 tors. eta vs tors. theta energy: -236.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -2510.169874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.169874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.169874 (E_RNA) where: Base-Base interactions energy: -1731.951 where: short stacking energy: -738.371 Base-Backbone interact. energy: -2.783 local terms energy: -775.435692 where: bonds (distance) C4'-P energy: -149.324 bonds (distance) P-C4' energy: -152.850 flat angles C4'-P-C4' energy: -174.324 flat angles P-C4'-P energy: -103.716 tors. eta vs tors. theta energy: -195.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -2433.782204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.782204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.782204 (E_RNA) where: Base-Base interactions energy: -1657.187 where: short stacking energy: -695.515 Base-Backbone interact. energy: 1.211 local terms energy: -777.805840 where: bonds (distance) C4'-P energy: -145.934 bonds (distance) P-C4' energy: -146.900 flat angles C4'-P-C4' energy: -166.269 flat angles P-C4'-P energy: -99.775 tors. eta vs tors. theta energy: -218.928 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: 4, replica: 8 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -2219.765219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.765219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.765219 (E_RNA) where: Base-Base interactions energy: -1523.971 where: short stacking energy: -639.427 Base-Backbone interact. energy: -1.038 local terms energy: -694.756027 where: bonds (distance) C4'-P energy: -139.988 bonds (distance) P-C4' energy: -135.696 flat angles C4'-P-C4' energy: -146.632 flat angles P-C4'-P energy: -92.898 tors. eta vs tors. theta energy: -179.542 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: 2 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -2169.002766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.002766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.002766 (E_RNA) where: Base-Base interactions energy: -1502.657 where: short stacking energy: -621.297 Base-Backbone interact. energy: -0.813 local terms energy: -665.532966 where: bonds (distance) C4'-P energy: -134.784 bonds (distance) P-C4' energy: -128.206 flat angles C4'-P-C4' energy: -148.578 flat angles P-C4'-P energy: -82.570 tors. eta vs tors. theta energy: -171.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -2074.529701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.529701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.529701 (E_RNA) where: Base-Base interactions energy: -1411.140 where: short stacking energy: -614.505 Base-Backbone interact. energy: -1.554 local terms energy: -661.835535 where: bonds (distance) C4'-P energy: -119.607 bonds (distance) P-C4' energy: -133.883 flat angles C4'-P-C4' energy: -133.107 flat angles P-C4'-P energy: -99.264 tors. eta vs tors. theta energy: -175.976 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: 7, replica: 4 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -1542.719807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.719807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.719807 (E_RNA) where: Base-Base interactions energy: -961.762 where: short stacking energy: -470.668 Base-Backbone interact. energy: -2.140 local terms energy: -578.817873 where: bonds (distance) C4'-P energy: -115.711 bonds (distance) P-C4' energy: -136.519 flat angles C4'-P-C4' energy: -134.192 flat angles P-C4'-P energy: -93.135 tors. eta vs tors. theta energy: -99.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -1483.578701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.578701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.578701 (E_RNA) where: Base-Base interactions energy: -943.775 where: short stacking energy: -450.509 Base-Backbone interact. energy: 2.902 local terms energy: -542.706083 where: bonds (distance) C4'-P energy: -131.905 bonds (distance) P-C4' energy: -139.389 flat angles C4'-P-C4' energy: -115.720 flat angles P-C4'-P energy: -51.561 tors. eta vs tors. theta energy: -104.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -920.955975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.955975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.955975 (E_RNA) where: Base-Base interactions energy: -504.778 where: short stacking energy: -261.149 Base-Backbone interact. energy: 4.436 local terms energy: -420.613646 where: bonds (distance) C4'-P energy: -113.366 bonds (distance) P-C4' energy: -120.503 flat angles C4'-P-C4' energy: -117.928 flat angles P-C4'-P energy: -53.583 tors. eta vs tors. theta energy: -15.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -760.422843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.422843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.422843 (E_RNA) where: Base-Base interactions energy: -388.979 where: short stacking energy: -197.997 Base-Backbone interact. energy: 0.058 local terms energy: -371.501401 where: bonds (distance) C4'-P energy: -138.419 bonds (distance) P-C4' energy: -116.828 flat angles C4'-P-C4' energy: -105.983 flat angles P-C4'-P energy: -54.323 tors. eta vs tors. theta energy: 44.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -2626.753408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.753408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.753408 (E_RNA) where: Base-Base interactions energy: -1820.569 where: short stacking energy: -786.794 Base-Backbone interact. energy: 0.215 local terms energy: -806.399928 where: bonds (distance) C4'-P energy: -147.371 bonds (distance) P-C4' energy: -144.790 flat angles C4'-P-C4' energy: -168.202 flat angles P-C4'-P energy: -104.507 tors. eta vs tors. theta energy: -241.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -2505.421748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.421748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.421748 (E_RNA) where: Base-Base interactions energy: -1699.062 where: short stacking energy: -733.461 Base-Backbone interact. energy: -1.016 local terms energy: -805.343821 where: bonds (distance) C4'-P energy: -145.776 bonds (distance) P-C4' energy: -158.453 flat angles C4'-P-C4' energy: -166.271 flat angles P-C4'-P energy: -103.930 tors. eta vs tors. theta energy: -230.914 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: 3, replica: 7 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -2415.640804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.640804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.640804 (E_RNA) where: Base-Base interactions energy: -1673.621 where: short stacking energy: -714.213 Base-Backbone interact. energy: -0.537 local terms energy: -741.482809 where: bonds (distance) C4'-P energy: -132.368 bonds (distance) P-C4' energy: -139.440 flat angles C4'-P-C4' energy: -159.917 flat angles P-C4'-P energy: -102.603 tors. eta vs tors. theta energy: -207.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -2264.214145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.214145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.214145 (E_RNA) where: Base-Base interactions energy: -1544.858 where: short stacking energy: -650.784 Base-Backbone interact. energy: -1.880 local terms energy: -717.475992 where: bonds (distance) C4'-P energy: -139.649 bonds (distance) P-C4' energy: -126.878 flat angles C4'-P-C4' energy: -169.770 flat angles P-C4'-P energy: -95.530 tors. eta vs tors. theta energy: -185.649 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: 2 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -2130.005346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.005346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.005346 (E_RNA) where: Base-Base interactions energy: -1445.439 where: short stacking energy: -608.731 Base-Backbone interact. energy: 2.806 local terms energy: -687.372155 where: bonds (distance) C4'-P energy: -124.203 bonds (distance) P-C4' energy: -142.349 flat angles C4'-P-C4' energy: -152.744 flat angles P-C4'-P energy: -95.932 tors. eta vs tors. theta energy: -172.145 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: 6, replica: 1 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -2073.927855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.927855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.927855 (E_RNA) where: Base-Base interactions energy: -1412.104 where: short stacking energy: -622.389 Base-Backbone interact. energy: 2.408 local terms energy: -664.232139 where: bonds (distance) C4'-P energy: -116.158 bonds (distance) P-C4' energy: -124.607 flat angles C4'-P-C4' energy: -149.489 flat angles P-C4'-P energy: -96.110 tors. eta vs tors. theta energy: -177.868 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: 4 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -1616.574779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.574779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.574779 (E_RNA) where: Base-Base interactions energy: -1030.908 where: short stacking energy: -479.207 Base-Backbone interact. energy: -1.624 local terms energy: -584.043039 where: bonds (distance) C4'-P energy: -123.642 bonds (distance) P-C4' energy: -141.028 flat angles C4'-P-C4' energy: -120.644 flat angles P-C4'-P energy: -74.169 tors. eta vs tors. theta energy: -124.560 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: 5 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -1466.868779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.868779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.868779 (E_RNA) where: Base-Base interactions energy: -943.552 where: short stacking energy: -441.943 Base-Backbone interact. energy: 0.421 local terms energy: -523.738134 where: bonds (distance) C4'-P energy: -110.740 bonds (distance) P-C4' energy: -122.235 flat angles C4'-P-C4' energy: -116.269 flat angles P-C4'-P energy: -87.761 tors. eta vs tors. theta energy: -86.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -990.663402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.663402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.663402 (E_RNA) where: Base-Base interactions energy: -551.233 where: short stacking energy: -274.931 Base-Backbone interact. energy: 10.446 local terms energy: -449.876401 where: bonds (distance) C4'-P energy: -104.147 bonds (distance) P-C4' energy: -131.198 flat angles C4'-P-C4' energy: -112.877 flat angles P-C4'-P energy: -69.196 tors. eta vs tors. theta energy: -32.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -720.801985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.801985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.801985 (E_RNA) where: Base-Base interactions energy: -336.100 where: short stacking energy: -190.814 Base-Backbone interact. energy: 1.044 local terms energy: -385.746489 where: bonds (distance) C4'-P energy: -111.373 bonds (distance) P-C4' energy: -136.394 flat angles C4'-P-C4' energy: -109.665 flat angles P-C4'-P energy: -52.774 tors. eta vs tors. theta energy: 24.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -2628.424816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.424816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.424816 (E_RNA) where: Base-Base interactions energy: -1801.923 where: short stacking energy: -760.702 Base-Backbone interact. energy: -3.102 local terms energy: -823.399650 where: bonds (distance) C4'-P energy: -134.725 bonds (distance) P-C4' energy: -164.198 flat angles C4'-P-C4' energy: -172.031 flat angles P-C4'-P energy: -119.157 tors. eta vs tors. theta energy: -233.289 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: 9 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -2534.589758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.589758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.589758 (E_RNA) where: Base-Base interactions energy: -1733.937 where: short stacking energy: -747.116 Base-Backbone interact. energy: 0.453 local terms energy: -801.105561 where: bonds (distance) C4'-P energy: -138.529 bonds (distance) P-C4' energy: -143.800 flat angles C4'-P-C4' energy: -173.912 flat angles P-C4'-P energy: -114.669 tors. eta vs tors. theta energy: -230.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -2388.816714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.816714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.816714 (E_RNA) where: Base-Base interactions energy: -1652.450 where: short stacking energy: -690.956 Base-Backbone interact. energy: -3.134 local terms energy: -733.233378 where: bonds (distance) C4'-P energy: -129.076 bonds (distance) P-C4' energy: -140.325 flat angles C4'-P-C4' energy: -156.289 flat angles P-C4'-P energy: -115.427 tors. eta vs tors. theta energy: -192.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -2233.578864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.578864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.578864 (E_RNA) where: Base-Base interactions energy: -1518.835 where: short stacking energy: -630.200 Base-Backbone interact. energy: -3.215 local terms energy: -711.528710 where: bonds (distance) C4'-P energy: -121.993 bonds (distance) P-C4' energy: -143.597 flat angles C4'-P-C4' energy: -150.041 flat angles P-C4'-P energy: -118.899 tors. eta vs tors. theta energy: -176.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -2140.664582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.664582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.664582 (E_RNA) where: Base-Base interactions energy: -1474.570 where: short stacking energy: -607.070 Base-Backbone interact. energy: 3.281 local terms energy: -669.376510 where: bonds (distance) C4'-P energy: -140.277 bonds (distance) P-C4' energy: -149.271 flat angles C4'-P-C4' energy: -143.915 flat angles P-C4'-P energy: -75.525 tors. eta vs tors. theta energy: -160.389 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: 6, replica: 1 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -2067.189338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.189338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.189338 (E_RNA) where: Base-Base interactions energy: -1448.000 where: short stacking energy: -623.346 Base-Backbone interact. energy: 0.103 local terms energy: -619.292364 where: bonds (distance) C4'-P energy: -103.284 bonds (distance) P-C4' energy: -119.238 flat angles C4'-P-C4' energy: -143.752 flat angles P-C4'-P energy: -87.135 tors. eta vs tors. theta energy: -165.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -1675.656631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.656631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.656631 (E_RNA) where: Base-Base interactions energy: -1090.027 where: short stacking energy: -505.599 Base-Backbone interact. energy: -1.693 local terms energy: -583.936636 where: bonds (distance) C4'-P energy: -108.476 bonds (distance) P-C4' energy: -133.670 flat angles C4'-P-C4' energy: -132.329 flat angles P-C4'-P energy: -78.598 tors. eta vs tors. theta energy: -130.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -1502.891994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.891994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.891994 (E_RNA) where: Base-Base interactions energy: -978.517 where: short stacking energy: -402.157 Base-Backbone interact. energy: -0.694 local terms energy: -523.680817 where: bonds (distance) C4'-P energy: -115.833 bonds (distance) P-C4' energy: -120.922 flat angles C4'-P-C4' energy: -135.635 flat angles P-C4'-P energy: -81.256 tors. eta vs tors. theta energy: -70.035 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: 6 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -978.184566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.184566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.184566 (E_RNA) where: Base-Base interactions energy: -531.643 where: short stacking energy: -275.673 Base-Backbone interact. energy: 1.107 local terms energy: -447.648159 where: bonds (distance) C4'-P energy: -135.792 bonds (distance) P-C4' energy: -153.792 flat angles C4'-P-C4' energy: -88.025 flat angles P-C4'-P energy: -61.709 tors. eta vs tors. theta energy: -8.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -753.770665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.770665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.770665 (E_RNA) where: Base-Base interactions energy: -382.279 where: short stacking energy: -210.003 Base-Backbone interact. energy: 2.739 local terms energy: -374.231190 where: bonds (distance) C4'-P energy: -116.861 bonds (distance) P-C4' energy: -127.311 flat angles C4'-P-C4' energy: -96.006 flat angles P-C4'-P energy: -40.482 tors. eta vs tors. theta energy: 6.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -2634.785889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.785889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.785889 (E_RNA) where: Base-Base interactions energy: -1819.223 where: short stacking energy: -760.929 Base-Backbone interact. energy: 1.275 local terms energy: -816.837395 where: bonds (distance) C4'-P energy: -142.178 bonds (distance) P-C4' energy: -148.405 flat angles C4'-P-C4' energy: -180.944 flat angles P-C4'-P energy: -105.488 tors. eta vs tors. theta energy: -239.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -2489.172385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.172385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.172385 (E_RNA) where: Base-Base interactions energy: -1739.167 where: short stacking energy: -730.181 Base-Backbone interact. energy: -3.420 local terms energy: -746.585044 where: bonds (distance) C4'-P energy: -128.587 bonds (distance) P-C4' energy: -135.709 flat angles C4'-P-C4' energy: -157.894 flat angles P-C4'-P energy: -99.678 tors. eta vs tors. theta energy: -224.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -2430.246124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.246124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.246124 (E_RNA) where: Base-Base interactions energy: -1722.646 where: short stacking energy: -701.418 Base-Backbone interact. energy: -4.398 local terms energy: -703.202144 where: bonds (distance) C4'-P energy: -124.145 bonds (distance) P-C4' energy: -131.065 flat angles C4'-P-C4' energy: -154.320 flat angles P-C4'-P energy: -95.541 tors. eta vs tors. theta energy: -198.131 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: 4, replica: 8 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -2239.535213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.535213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.535213 (E_RNA) where: Base-Base interactions energy: -1568.303 where: short stacking energy: -671.995 Base-Backbone interact. energy: 2.351 local terms energy: -673.583962 where: bonds (distance) C4'-P energy: -141.685 bonds (distance) P-C4' energy: -127.760 flat angles C4'-P-C4' energy: -148.766 flat angles P-C4'-P energy: -80.160 tors. eta vs tors. theta energy: -175.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -2150.924869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.924869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.924869 (E_RNA) where: Base-Base interactions energy: -1465.678 where: short stacking energy: -623.649 Base-Backbone interact. energy: -0.743 local terms energy: -684.782396 where: bonds (distance) C4'-P energy: -138.489 bonds (distance) P-C4' energy: -121.987 flat angles C4'-P-C4' energy: -153.024 flat angles P-C4'-P energy: -98.539 tors. eta vs tors. theta energy: -172.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.278 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -2098.811721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.811721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.811721 (E_RNA) where: Base-Base interactions energy: -1462.701 where: short stacking energy: -609.512 Base-Backbone interact. energy: 1.394 local terms energy: -637.504352 where: bonds (distance) C4'-P energy: -100.311 bonds (distance) P-C4' energy: -131.136 flat angles C4'-P-C4' energy: -143.542 flat angles P-C4'-P energy: -95.990 tors. eta vs tors. theta energy: -166.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -1628.531454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.531454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.531454 (E_RNA) where: Base-Base interactions energy: -1053.638 where: short stacking energy: -453.606 Base-Backbone interact. energy: -0.845 local terms energy: -574.047827 where: bonds (distance) C4'-P energy: -127.709 bonds (distance) P-C4' energy: -127.987 flat angles C4'-P-C4' energy: -151.787 flat angles P-C4'-P energy: -71.191 tors. eta vs tors. theta energy: -95.374 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: 8, replica: 5 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -1437.177394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.177394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.177394 (E_RNA) where: Base-Base interactions energy: -915.451 where: short stacking energy: -412.038 Base-Backbone interact. energy: -1.087 local terms energy: -520.639523 where: bonds (distance) C4'-P energy: -126.008 bonds (distance) P-C4' energy: -122.139 flat angles C4'-P-C4' energy: -124.473 flat angles P-C4'-P energy: -77.027 tors. eta vs tors. theta energy: -70.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -979.891235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.891235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.891235 (E_RNA) where: Base-Base interactions energy: -550.024 where: short stacking energy: -276.797 Base-Backbone interact. energy: 2.861 local terms energy: -432.727723 where: bonds (distance) C4'-P energy: -130.463 bonds (distance) P-C4' energy: -126.955 flat angles C4'-P-C4' energy: -100.746 flat angles P-C4'-P energy: -65.111 tors. eta vs tors. theta energy: -9.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -719.073037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.073037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.073037 (E_RNA) where: Base-Base interactions energy: -349.104 where: short stacking energy: -181.368 Base-Backbone interact. energy: -3.282 local terms energy: -366.686428 where: bonds (distance) C4'-P energy: -119.630 bonds (distance) P-C4' energy: -113.548 flat angles C4'-P-C4' energy: -96.603 flat angles P-C4'-P energy: -61.714 tors. eta vs tors. theta energy: 24.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -2671.666686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.666686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.666686 (E_RNA) where: Base-Base interactions energy: -1823.996 where: short stacking energy: -755.436 Base-Backbone interact. energy: -3.058 local terms energy: -844.613515 where: bonds (distance) C4'-P energy: -161.174 bonds (distance) P-C4' energy: -147.703 flat angles C4'-P-C4' energy: -172.654 flat angles P-C4'-P energy: -128.854 tors. eta vs tors. theta energy: -234.229 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: 9 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -2530.003972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.003972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.003972 (E_RNA) where: Base-Base interactions energy: -1715.384 where: short stacking energy: -750.630 Base-Backbone interact. energy: -3.266 local terms energy: -811.354156 where: bonds (distance) C4'-P energy: -148.267 bonds (distance) P-C4' energy: -139.059 flat angles C4'-P-C4' energy: -173.532 flat angles P-C4'-P energy: -117.650 tors. eta vs tors. theta energy: -232.846 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: 488 Temperature: 1.000000 Total energy: -2406.526928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.526928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.526928 (E_RNA) where: Base-Base interactions energy: -1664.431 where: short stacking energy: -723.208 Base-Backbone interact. energy: 1.583 local terms energy: -743.678647 where: bonds (distance) C4'-P energy: -126.702 bonds (distance) P-C4' energy: -142.674 flat angles C4'-P-C4' energy: -151.883 flat angles P-C4'-P energy: -110.763 tors. eta vs tors. theta energy: -211.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -2201.059684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.059684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.059684 (E_RNA) where: Base-Base interactions energy: -1490.370 where: short stacking energy: -639.337 Base-Backbone interact. energy: -4.780 local terms energy: -705.909170 where: bonds (distance) C4'-P energy: -135.156 bonds (distance) P-C4' energy: -140.164 flat angles C4'-P-C4' energy: -155.794 flat angles P-C4'-P energy: -98.064 tors. eta vs tors. theta energy: -176.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -2169.619745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.619745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.619745 (E_RNA) where: Base-Base interactions energy: -1505.780 where: short stacking energy: -625.756 Base-Backbone interact. energy: 2.153 local terms energy: -665.992629 where: bonds (distance) C4'-P energy: -132.019 bonds (distance) P-C4' energy: -126.547 flat angles C4'-P-C4' energy: -147.811 flat angles P-C4'-P energy: -89.064 tors. eta vs tors. theta energy: -170.551 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: 1 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -2093.356956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.356956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.356956 (E_RNA) where: Base-Base interactions energy: -1412.280 where: short stacking energy: -609.651 Base-Backbone interact. energy: -0.445 local terms energy: -682.446837 where: bonds (distance) C4'-P energy: -145.321 bonds (distance) P-C4' energy: -146.079 flat angles C4'-P-C4' energy: -135.410 flat angles P-C4'-P energy: -87.240 tors. eta vs tors. theta energy: -168.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.815 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -1616.910961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.910961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.910961 (E_RNA) where: Base-Base interactions energy: -1050.376 where: short stacking energy: -477.193 Base-Backbone interact. energy: 0.349 local terms energy: -566.884688 where: bonds (distance) C4'-P energy: -107.336 bonds (distance) P-C4' energy: -140.428 flat angles C4'-P-C4' energy: -143.508 flat angles P-C4'-P energy: -77.596 tors. eta vs tors. theta energy: -98.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -1467.628637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.628637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.628637 (E_RNA) where: Base-Base interactions energy: -939.328 where: short stacking energy: -407.691 Base-Backbone interact. energy: -1.219 local terms energy: -527.081296 where: bonds (distance) C4'-P energy: -115.722 bonds (distance) P-C4' energy: -140.085 flat angles C4'-P-C4' energy: -128.899 flat angles P-C4'-P energy: -69.195 tors. eta vs tors. theta energy: -73.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -984.745294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.745294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.745294 (E_RNA) where: Base-Base interactions energy: -547.535 where: short stacking energy: -276.174 Base-Backbone interact. energy: -1.800 local terms energy: -435.410840 where: bonds (distance) C4'-P energy: -104.936 bonds (distance) P-C4' energy: -118.810 flat angles C4'-P-C4' energy: -111.240 flat angles P-C4'-P energy: -70.521 tors. eta vs tors. theta energy: -29.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -691.490751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.490751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.490751 (E_RNA) where: Base-Base interactions energy: -295.749 where: short stacking energy: -208.194 Base-Backbone interact. energy: 5.293 local terms energy: -401.034053 where: bonds (distance) C4'-P energy: -104.453 bonds (distance) P-C4' energy: -130.604 flat angles C4'-P-C4' energy: -110.745 flat angles P-C4'-P energy: -68.291 tors. eta vs tors. theta energy: 13.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -2663.418829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.418829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.418829 (E_RNA) where: Base-Base interactions energy: -1826.364 where: short stacking energy: -778.620 Base-Backbone interact. energy: -1.867 local terms energy: -835.188400 where: bonds (distance) C4'-P energy: -148.064 bonds (distance) P-C4' energy: -158.176 flat angles C4'-P-C4' energy: -173.217 flat angles P-C4'-P energy: -123.670 tors. eta vs tors. theta energy: -232.061 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: 2, replica: 9 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -2533.899280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.899280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.899280 (E_RNA) where: Base-Base interactions energy: -1746.747 where: short stacking energy: -743.184 Base-Backbone interact. energy: 4.026 local terms energy: -791.178447 where: bonds (distance) C4'-P energy: -134.528 bonds (distance) P-C4' energy: -144.946 flat angles C4'-P-C4' energy: -163.231 flat angles P-C4'-P energy: -124.567 tors. eta vs tors. theta energy: -223.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -2397.730647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.730647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.730647 (E_RNA) where: Base-Base interactions energy: -1643.270 where: short stacking energy: -722.103 Base-Backbone interact. energy: -0.120 local terms energy: -754.341106 where: bonds (distance) C4'-P energy: -150.463 bonds (distance) P-C4' energy: -145.559 flat angles C4'-P-C4' energy: -159.666 flat angles P-C4'-P energy: -100.169 tors. eta vs tors. theta energy: -198.485 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: 489 Temperature: 1.050000 Total energy: -2273.975902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.975902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.975902 (E_RNA) where: Base-Base interactions energy: -1561.589 where: short stacking energy: -666.560 Base-Backbone interact. energy: 0.521 local terms energy: -712.908026 where: bonds (distance) C4'-P energy: -127.033 bonds (distance) P-C4' energy: -143.473 flat angles C4'-P-C4' energy: -153.171 flat angles P-C4'-P energy: -100.594 tors. eta vs tors. theta energy: -188.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -2165.937255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.937255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.937255 (E_RNA) where: Base-Base interactions energy: -1486.630 where: short stacking energy: -603.314 Base-Backbone interact. energy: -6.533 local terms energy: -672.774869 where: bonds (distance) C4'-P energy: -135.458 bonds (distance) P-C4' energy: -134.333 flat angles C4'-P-C4' energy: -143.138 flat angles P-C4'-P energy: -93.443 tors. eta vs tors. theta energy: -166.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -1991.792849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.792849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.792849 (E_RNA) where: Base-Base interactions energy: -1324.829 where: short stacking energy: -595.957 Base-Backbone interact. energy: -5.393 local terms energy: -661.570888 where: bonds (distance) C4'-P energy: -124.580 bonds (distance) P-C4' energy: -139.789 flat angles C4'-P-C4' energy: -150.414 flat angles P-C4'-P energy: -84.187 tors. eta vs tors. theta energy: -162.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -1620.137819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.137819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.137819 (E_RNA) where: Base-Base interactions energy: -1026.274 where: short stacking energy: -474.936 Base-Backbone interact. energy: -2.703 local terms energy: -591.160553 where: bonds (distance) C4'-P energy: -125.895 bonds (distance) P-C4' energy: -133.885 flat angles C4'-P-C4' energy: -133.815 flat angles P-C4'-P energy: -86.107 tors. eta vs tors. theta energy: -111.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -1466.251406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.251406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.251406 (E_RNA) where: Base-Base interactions energy: -940.216 where: short stacking energy: -431.026 Base-Backbone interact. energy: 2.808 local terms energy: -528.843366 where: bonds (distance) C4'-P energy: -118.347 bonds (distance) P-C4' energy: -139.031 flat angles C4'-P-C4' energy: -131.069 flat angles P-C4'-P energy: -74.517 tors. eta vs tors. theta energy: -65.880 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: 6 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -998.563150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.563150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.563150 (E_RNA) where: Base-Base interactions energy: -564.921 where: short stacking energy: -298.193 Base-Backbone interact. energy: 1.259 local terms energy: -434.901406 where: bonds (distance) C4'-P energy: -115.886 bonds (distance) P-C4' energy: -134.651 flat angles C4'-P-C4' energy: -98.488 flat angles P-C4'-P energy: -56.930 tors. eta vs tors. theta energy: -28.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -688.093207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.093207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.093207 (E_RNA) where: Base-Base interactions energy: -285.107 where: short stacking energy: -178.071 Base-Backbone interact. energy: -0.457 local terms energy: -402.529315 where: bonds (distance) C4'-P energy: -115.773 bonds (distance) P-C4' energy: -127.483 flat angles C4'-P-C4' energy: -97.824 flat angles P-C4'-P energy: -70.109 tors. eta vs tors. theta energy: 8.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -2652.342324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.342324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.342324 (E_RNA) where: Base-Base interactions energy: -1852.555 where: short stacking energy: -775.836 Base-Backbone interact. energy: -0.045 local terms energy: -799.741992 where: bonds (distance) C4'-P energy: -148.820 bonds (distance) P-C4' energy: -141.762 flat angles C4'-P-C4' energy: -169.866 flat angles P-C4'-P energy: -107.257 tors. eta vs tors. theta energy: -232.037 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: 9 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -2518.230537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.230537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.230537 (E_RNA) where: Base-Base interactions energy: -1725.635 where: short stacking energy: -745.279 Base-Backbone interact. energy: -2.032 local terms energy: -790.564071 where: bonds (distance) C4'-P energy: -130.547 bonds (distance) P-C4' energy: -155.747 flat angles C4'-P-C4' energy: -162.510 flat angles P-C4'-P energy: -124.945 tors. eta vs tors. theta energy: -216.815 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: 7 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -2399.767797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.767797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.767797 (E_RNA) where: Base-Base interactions energy: -1650.246 where: short stacking energy: -716.236 Base-Backbone interact. energy: -0.969 local terms energy: -748.553031 where: bonds (distance) C4'-P energy: -134.828 bonds (distance) P-C4' energy: -139.576 flat angles C4'-P-C4' energy: -159.185 flat angles P-C4'-P energy: -111.596 tors. eta vs tors. theta energy: -203.368 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: 2 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -2186.349016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.349016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.349016 (E_RNA) where: Base-Base interactions energy: -1494.951 where: short stacking energy: -650.355 Base-Backbone interact. energy: -2.665 local terms energy: -688.732731 where: bonds (distance) C4'-P energy: -123.740 bonds (distance) P-C4' energy: -136.996 flat angles C4'-P-C4' energy: -154.282 flat angles P-C4'-P energy: -98.169 tors. eta vs tors. theta energy: -175.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -2207.680081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.680081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.680081 (E_RNA) where: Base-Base interactions energy: -1532.101 where: short stacking energy: -603.917 Base-Backbone interact. energy: -0.863 local terms energy: -674.715999 where: bonds (distance) C4'-P energy: -127.041 bonds (distance) P-C4' energy: -135.622 flat angles C4'-P-C4' energy: -163.386 flat angles P-C4'-P energy: -89.857 tors. eta vs tors. theta energy: -158.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -1958.515988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.515988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.515988 (E_RNA) where: Base-Base interactions energy: -1323.064 where: short stacking energy: -588.491 Base-Backbone interact. energy: 0.455 local terms energy: -635.907232 where: bonds (distance) C4'-P energy: -108.764 bonds (distance) P-C4' energy: -141.563 flat angles C4'-P-C4' energy: -140.645 flat angles P-C4'-P energy: -93.721 tors. eta vs tors. theta energy: -151.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -1630.043685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.043685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.043685 (E_RNA) where: Base-Base interactions energy: -1076.261 where: short stacking energy: -479.516 Base-Backbone interact. energy: -2.292 local terms energy: -551.491094 where: bonds (distance) C4'-P energy: -116.832 bonds (distance) P-C4' energy: -130.160 flat angles C4'-P-C4' energy: -118.440 flat angles P-C4'-P energy: -75.435 tors. eta vs tors. theta energy: -110.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -1464.014527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.014527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.014527 (E_RNA) where: Base-Base interactions energy: -948.058 where: short stacking energy: -427.552 Base-Backbone interact. energy: -1.016 local terms energy: -514.940183 where: bonds (distance) C4'-P energy: -112.674 bonds (distance) P-C4' energy: -123.450 flat angles C4'-P-C4' energy: -134.872 flat angles P-C4'-P energy: -62.751 tors. eta vs tors. theta energy: -81.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -944.117464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.117464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.117464 (E_RNA) where: Base-Base interactions energy: -528.222 where: short stacking energy: -264.801 Base-Backbone interact. energy: -3.226 local terms energy: -412.670036 where: bonds (distance) C4'-P energy: -106.793 bonds (distance) P-C4' energy: -104.906 flat angles C4'-P-C4' energy: -123.668 flat angles P-C4'-P energy: -65.587 tors. eta vs tors. theta energy: -11.716 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: 10 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -704.124660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.124660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.124660 (E_RNA) where: Base-Base interactions energy: -335.253 where: short stacking energy: -212.402 Base-Backbone interact. energy: 1.561 local terms energy: -370.433099 where: bonds (distance) C4'-P energy: -107.443 bonds (distance) P-C4' energy: -101.785 flat angles C4'-P-C4' energy: -99.897 flat angles P-C4'-P energy: -82.667 tors. eta vs tors. theta energy: 21.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -2662.960975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.960975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.960975 (E_RNA) where: Base-Base interactions energy: -1870.201 where: short stacking energy: -793.175 Base-Backbone interact. energy: -1.777 local terms energy: -790.983453 where: bonds (distance) C4'-P energy: -144.388 bonds (distance) P-C4' energy: -137.215 flat angles C4'-P-C4' energy: -175.463 flat angles P-C4'-P energy: -100.834 tors. eta vs tors. theta energy: -233.084 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: 9 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -2542.078691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.078691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.078691 (E_RNA) where: Base-Base interactions energy: -1743.362 where: short stacking energy: -736.798 Base-Backbone interact. energy: -2.140 local terms energy: -796.576744 where: bonds (distance) C4'-P energy: -141.861 bonds (distance) P-C4' energy: -152.575 flat angles C4'-P-C4' energy: -170.127 flat angles P-C4'-P energy: -118.681 tors. eta vs tors. theta energy: -213.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -2353.473399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.473399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.473399 (E_RNA) where: Base-Base interactions energy: -1622.040 where: short stacking energy: -670.702 Base-Backbone interact. energy: 2.517 local terms energy: -733.950190 where: bonds (distance) C4'-P energy: -132.695 bonds (distance) P-C4' energy: -149.257 flat angles C4'-P-C4' energy: -167.053 flat angles P-C4'-P energy: -107.669 tors. eta vs tors. theta energy: -177.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -2237.703186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.703186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.703186 (E_RNA) where: Base-Base interactions energy: -1535.724 where: short stacking energy: -634.626 Base-Backbone interact. energy: -2.169 local terms energy: -699.810020 where: bonds (distance) C4'-P energy: -121.960 bonds (distance) P-C4' energy: -154.919 flat angles C4'-P-C4' energy: -158.517 flat angles P-C4'-P energy: -99.933 tors. eta vs tors. theta energy: -164.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -2169.974563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.974563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.974563 (E_RNA) where: Base-Base interactions energy: -1488.809 where: short stacking energy: -606.210 Base-Backbone interact. energy: -3.368 local terms energy: -677.797615 where: bonds (distance) C4'-P energy: -143.106 bonds (distance) P-C4' energy: -135.475 flat angles C4'-P-C4' energy: -146.409 flat angles P-C4'-P energy: -83.377 tors. eta vs tors. theta energy: -169.430 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: 1 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -2016.379911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.379911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.379911 (E_RNA) where: Base-Base interactions energy: -1385.908 where: short stacking energy: -615.142 Base-Backbone interact. energy: 0.061 local terms energy: -630.533032 where: bonds (distance) C4'-P energy: -136.314 bonds (distance) P-C4' energy: -123.403 flat angles C4'-P-C4' energy: -132.209 flat angles P-C4'-P energy: -95.680 tors. eta vs tors. theta energy: -142.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -1638.017538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.017538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.017538 (E_RNA) where: Base-Base interactions energy: -1057.024 where: short stacking energy: -457.289 Base-Backbone interact. energy: -0.917 local terms energy: -580.076325 where: bonds (distance) C4'-P energy: -127.794 bonds (distance) P-C4' energy: -138.209 flat angles C4'-P-C4' energy: -137.967 flat angles P-C4'-P energy: -75.227 tors. eta vs tors. theta energy: -100.880 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: 5 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -1470.912926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.912926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.912926 (E_RNA) where: Base-Base interactions energy: -914.834 where: short stacking energy: -406.157 Base-Backbone interact. energy: 0.899 local terms energy: -556.977533 where: bonds (distance) C4'-P energy: -91.997 bonds (distance) P-C4' energy: -147.237 flat angles C4'-P-C4' energy: -152.012 flat angles P-C4'-P energy: -82.482 tors. eta vs tors. theta energy: -83.250 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: 6 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -1072.684496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.684496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.684496 (E_RNA) where: Base-Base interactions energy: -615.338 where: short stacking energy: -284.822 Base-Backbone interact. energy: -1.173 local terms energy: -456.173192 where: bonds (distance) C4'-P energy: -124.828 bonds (distance) P-C4' energy: -129.903 flat angles C4'-P-C4' energy: -121.449 flat angles P-C4'-P energy: -50.410 tors. eta vs tors. theta energy: -29.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -741.991522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.991522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.991522 (E_RNA) where: Base-Base interactions energy: -361.538 where: short stacking energy: -221.183 Base-Backbone interact. energy: 1.838 local terms energy: -382.291607 where: bonds (distance) C4'-P energy: -107.903 bonds (distance) P-C4' energy: -129.915 flat angles C4'-P-C4' energy: -81.428 flat angles P-C4'-P energy: -67.418 tors. eta vs tors. theta energy: 4.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -2681.492094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.492094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.492094 (E_RNA) where: Base-Base interactions energy: -1868.831 where: short stacking energy: -797.450 Base-Backbone interact. energy: -3.715 local terms energy: -808.946041 where: bonds (distance) C4'-P energy: -133.994 bonds (distance) P-C4' energy: -153.500 flat angles C4'-P-C4' energy: -166.380 flat angles P-C4'-P energy: -112.285 tors. eta vs tors. theta energy: -242.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -2513.397657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.397657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.397657 (E_RNA) where: Base-Base interactions energy: -1726.115 where: short stacking energy: -773.590 Base-Backbone interact. energy: -2.302 local terms energy: -784.981201 where: bonds (distance) C4'-P energy: -142.867 bonds (distance) P-C4' energy: -134.954 flat angles C4'-P-C4' energy: -169.875 flat angles P-C4'-P energy: -114.086 tors. eta vs tors. theta energy: -223.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -2352.196331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.196331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.196331 (E_RNA) where: Base-Base interactions energy: -1619.784 where: short stacking energy: -673.524 Base-Backbone interact. energy: -2.964 local terms energy: -729.448400 where: bonds (distance) C4'-P energy: -145.668 bonds (distance) P-C4' energy: -140.864 flat angles C4'-P-C4' energy: -156.691 flat angles P-C4'-P energy: -97.955 tors. eta vs tors. theta energy: -188.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -2258.897038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.897038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.897038 (E_RNA) where: Base-Base interactions energy: -1513.418 where: short stacking energy: -651.975 Base-Backbone interact. energy: -0.688 local terms energy: -744.791025 where: bonds (distance) C4'-P energy: -135.178 bonds (distance) P-C4' energy: -151.380 flat angles C4'-P-C4' energy: -156.202 flat angles P-C4'-P energy: -111.543 tors. eta vs tors. theta energy: -190.488 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: 5, replica: 8 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -2159.440269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.440269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.440269 (E_RNA) where: Base-Base interactions energy: -1478.870 where: short stacking energy: -635.680 Base-Backbone interact. energy: -3.302 local terms energy: -677.267901 where: bonds (distance) C4'-P energy: -132.884 bonds (distance) P-C4' energy: -143.984 flat angles C4'-P-C4' energy: -144.684 flat angles P-C4'-P energy: -89.114 tors. eta vs tors. theta energy: -166.603 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: 1 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -2005.296723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.296723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.296723 (E_RNA) where: Base-Base interactions energy: -1372.400 where: short stacking energy: -592.015 Base-Backbone interact. energy: -1.269 local terms energy: -631.627622 where: bonds (distance) C4'-P energy: -135.291 bonds (distance) P-C4' energy: -127.536 flat angles C4'-P-C4' energy: -141.423 flat angles P-C4'-P energy: -75.560 tors. eta vs tors. theta energy: -151.818 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: 7, replica: 4 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -1591.895007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.895007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.895007 (E_RNA) where: Base-Base interactions energy: -1014.826 where: short stacking energy: -469.057 Base-Backbone interact. energy: -2.959 local terms energy: -574.109726 where: bonds (distance) C4'-P energy: -111.548 bonds (distance) P-C4' energy: -133.192 flat angles C4'-P-C4' energy: -142.089 flat angles P-C4'-P energy: -80.866 tors. eta vs tors. theta energy: -106.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -1492.248346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.248346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.248346 (E_RNA) where: Base-Base interactions energy: -916.448 where: short stacking energy: -429.615 Base-Backbone interact. energy: 4.699 local terms energy: -580.498519 where: bonds (distance) C4'-P energy: -122.622 bonds (distance) P-C4' energy: -145.930 flat angles C4'-P-C4' energy: -139.745 flat angles P-C4'-P energy: -75.519 tors. eta vs tors. theta energy: -96.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -1082.027119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.027119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.027119 (E_RNA) where: Base-Base interactions energy: -605.906 where: short stacking energy: -317.537 Base-Backbone interact. energy: 1.136 local terms energy: -477.257541 where: bonds (distance) C4'-P energy: -122.996 bonds (distance) P-C4' energy: -126.387 flat angles C4'-P-C4' energy: -122.951 flat angles P-C4'-P energy: -68.251 tors. eta vs tors. theta energy: -36.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -749.960322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.960322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.960322 (E_RNA) where: Base-Base interactions energy: -371.842 where: short stacking energy: -204.450 Base-Backbone interact. energy: -0.077 local terms energy: -378.041869 where: bonds (distance) C4'-P energy: -97.536 bonds (distance) P-C4' energy: -120.888 flat angles C4'-P-C4' energy: -113.711 flat angles P-C4'-P energy: -70.042 tors. eta vs tors. theta energy: 24.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -2651.610472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.610472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.610472 (E_RNA) where: Base-Base interactions energy: -1840.665 where: short stacking energy: -778.244 Base-Backbone interact. energy: -1.183 local terms energy: -809.763082 where: bonds (distance) C4'-P energy: -146.549 bonds (distance) P-C4' energy: -143.742 flat angles C4'-P-C4' energy: -172.593 flat angles P-C4'-P energy: -119.261 tors. eta vs tors. theta energy: -227.619 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: 9 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -2511.002992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.002992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.002992 (E_RNA) where: Base-Base interactions energy: -1722.582 where: short stacking energy: -718.651 Base-Backbone interact. energy: -1.701 local terms energy: -786.719044 where: bonds (distance) C4'-P energy: -139.610 bonds (distance) P-C4' energy: -157.788 flat angles C4'-P-C4' energy: -173.277 flat angles P-C4'-P energy: -97.822 tors. eta vs tors. theta energy: -218.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -2401.562965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.562965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.562965 (E_RNA) where: Base-Base interactions energy: -1673.299 where: short stacking energy: -720.287 Base-Backbone interact. energy: -0.475 local terms energy: -727.788355 where: bonds (distance) C4'-P energy: -149.849 bonds (distance) P-C4' energy: -140.432 flat angles C4'-P-C4' energy: -145.596 flat angles P-C4'-P energy: -87.738 tors. eta vs tors. theta energy: -204.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -2227.954482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.954482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.954482 (E_RNA) where: Base-Base interactions energy: -1528.617 where: short stacking energy: -637.601 Base-Backbone interact. energy: -2.736 local terms energy: -696.600799 where: bonds (distance) C4'-P energy: -129.442 bonds (distance) P-C4' energy: -152.224 flat angles C4'-P-C4' energy: -152.076 flat angles P-C4'-P energy: -88.564 tors. eta vs tors. theta energy: -174.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -2119.841371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.841371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.841371 (E_RNA) where: Base-Base interactions energy: -1465.875 where: short stacking energy: -617.023 Base-Backbone interact. energy: 0.785 local terms energy: -654.751906 where: bonds (distance) C4'-P energy: -128.681 bonds (distance) P-C4' energy: -131.707 flat angles C4'-P-C4' energy: -146.641 flat angles P-C4'-P energy: -92.784 tors. eta vs tors. theta energy: -154.939 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: 1 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -2063.386043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.386043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.386043 (E_RNA) where: Base-Base interactions energy: -1417.124 where: short stacking energy: -594.962 Base-Backbone interact. energy: -3.929 local terms energy: -642.333722 where: bonds (distance) C4'-P energy: -112.476 bonds (distance) P-C4' energy: -124.933 flat angles C4'-P-C4' energy: -138.968 flat angles P-C4'-P energy: -104.837 tors. eta vs tors. theta energy: -161.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -1625.868618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.868618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.868618 (E_RNA) where: Base-Base interactions energy: -1059.530 where: short stacking energy: -479.740 Base-Backbone interact. energy: -2.889 local terms energy: -563.449694 where: bonds (distance) C4'-P energy: -111.674 bonds (distance) P-C4' energy: -128.764 flat angles C4'-P-C4' energy: -130.784 flat angles P-C4'-P energy: -88.760 tors. eta vs tors. theta energy: -103.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -1503.724237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.724237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.724237 (E_RNA) where: Base-Base interactions energy: -960.155 where: short stacking energy: -438.522 Base-Backbone interact. energy: 1.533 local terms energy: -545.101917 where: bonds (distance) C4'-P energy: -127.939 bonds (distance) P-C4' energy: -133.024 flat angles C4'-P-C4' energy: -139.596 flat angles P-C4'-P energy: -58.611 tors. eta vs tors. theta energy: -85.932 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: 9, replica: 6 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -989.813020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.813020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.813020 (E_RNA) where: Base-Base interactions energy: -557.073 where: short stacking energy: -287.133 Base-Backbone interact. energy: 0.412 local terms energy: -433.152027 where: bonds (distance) C4'-P energy: -134.054 bonds (distance) P-C4' energy: -100.937 flat angles C4'-P-C4' energy: -106.363 flat angles P-C4'-P energy: -68.039 tors. eta vs tors. theta energy: -23.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -790.445762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.445762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.445762 (E_RNA) where: Base-Base interactions energy: -355.066 where: short stacking energy: -199.794 Base-Backbone interact. energy: 1.355 local terms energy: -436.734963 where: bonds (distance) C4'-P energy: -138.162 bonds (distance) P-C4' energy: -141.019 flat angles C4'-P-C4' energy: -96.206 flat angles P-C4'-P energy: -66.282 tors. eta vs tors. theta energy: 4.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -2660.798029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.798029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.798029 (E_RNA) where: Base-Base interactions energy: -1837.451 where: short stacking energy: -780.570 Base-Backbone interact. energy: -3.623 local terms energy: -819.723677 where: bonds (distance) C4'-P energy: -149.232 bonds (distance) P-C4' energy: -145.679 flat angles C4'-P-C4' energy: -179.071 flat angles P-C4'-P energy: -116.586 tors. eta vs tors. theta energy: -229.156 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: 9 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -2523.980912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.980912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.980912 (E_RNA) where: Base-Base interactions energy: -1730.045 where: short stacking energy: -728.239 Base-Backbone interact. energy: -2.196 local terms energy: -791.739418 where: bonds (distance) C4'-P energy: -138.132 bonds (distance) P-C4' energy: -156.942 flat angles C4'-P-C4' energy: -174.012 flat angles P-C4'-P energy: -95.104 tors. eta vs tors. theta energy: -227.549 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: 3, replica: 7 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -2404.671799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.671799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.671799 (E_RNA) where: Base-Base interactions energy: -1645.573 where: short stacking energy: -706.559 Base-Backbone interact. energy: -2.873 local terms energy: -756.224906 where: bonds (distance) C4'-P energy: -132.441 bonds (distance) P-C4' energy: -143.975 flat angles C4'-P-C4' energy: -161.091 flat angles P-C4'-P energy: -108.278 tors. eta vs tors. theta energy: -210.440 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: 494 Temperature: 1.050000 Total energy: -2236.749317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.749317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.749317 (E_RNA) where: Base-Base interactions energy: -1537.770 where: short stacking energy: -667.996 Base-Backbone interact. energy: -1.833 local terms energy: -697.146059 where: bonds (distance) C4'-P energy: -120.727 bonds (distance) P-C4' energy: -132.401 flat angles C4'-P-C4' energy: -158.874 flat angles P-C4'-P energy: -94.389 tors. eta vs tors. theta energy: -190.754 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: 8 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -2161.759602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.759602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.759602 (E_RNA) where: Base-Base interactions energy: -1476.311 where: short stacking energy: -616.388 Base-Backbone interact. energy: -1.446 local terms energy: -684.003454 where: bonds (distance) C4'-P energy: -132.622 bonds (distance) P-C4' energy: -137.476 flat angles C4'-P-C4' energy: -146.739 flat angles P-C4'-P energy: -94.103 tors. eta vs tors. theta energy: -173.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -2086.669109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.669109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.669109 (E_RNA) where: Base-Base interactions energy: -1425.906 where: short stacking energy: -599.881 Base-Backbone interact. energy: -2.150 local terms energy: -658.613301 where: bonds (distance) C4'-P energy: -116.260 bonds (distance) P-C4' energy: -139.436 flat angles C4'-P-C4' energy: -146.864 flat angles P-C4'-P energy: -79.350 tors. eta vs tors. theta energy: -176.703 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: 7, replica: 4 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -1635.402689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.402689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.402689 (E_RNA) where: Base-Base interactions energy: -1041.059 where: short stacking energy: -483.969 Base-Backbone interact. energy: -6.895 local terms energy: -587.449356 where: bonds (distance) C4'-P energy: -126.089 bonds (distance) P-C4' energy: -142.050 flat angles C4'-P-C4' energy: -137.976 flat angles P-C4'-P energy: -81.485 tors. eta vs tors. theta energy: -99.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -1441.455026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.455026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.455026 (E_RNA) where: Base-Base interactions energy: -894.971 where: short stacking energy: -404.841 Base-Backbone interact. energy: 0.361 local terms energy: -546.845292 where: bonds (distance) C4'-P energy: -128.928 bonds (distance) P-C4' energy: -132.572 flat angles C4'-P-C4' energy: -112.477 flat angles P-C4'-P energy: -73.675 tors. eta vs tors. theta energy: -99.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -918.969916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.969916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.969916 (E_RNA) where: Base-Base interactions energy: -459.334 where: short stacking energy: -266.183 Base-Backbone interact. energy: -2.689 local terms energy: -456.946894 where: bonds (distance) C4'-P energy: -125.044 bonds (distance) P-C4' energy: -125.858 flat angles C4'-P-C4' energy: -100.561 flat angles P-C4'-P energy: -66.162 tors. eta vs tors. theta energy: -39.323 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: 6 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -911.415374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.415374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.415374 (E_RNA) where: Base-Base interactions energy: -492.186 where: short stacking energy: -267.113 Base-Backbone interact. energy: 2.775 local terms energy: -422.003761 where: bonds (distance) C4'-P energy: -105.749 bonds (distance) P-C4' energy: -124.347 flat angles C4'-P-C4' energy: -116.767 flat angles P-C4'-P energy: -67.618 tors. eta vs tors. theta energy: -7.523 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: 3 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -2642.538192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.538192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.538192 (E_RNA) where: Base-Base interactions energy: -1854.376 where: short stacking energy: -772.615 Base-Backbone interact. energy: -2.569 local terms energy: -785.592844 where: bonds (distance) C4'-P energy: -141.344 bonds (distance) P-C4' energy: -136.107 flat angles C4'-P-C4' energy: -158.171 flat angles P-C4'-P energy: -117.402 tors. eta vs tors. theta energy: -232.569 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: 7 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -2494.695502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.695502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.695502 (E_RNA) where: Base-Base interactions energy: -1684.175 where: short stacking energy: -733.022 Base-Backbone interact. energy: -0.401 local terms energy: -810.119877 where: bonds (distance) C4'-P energy: -141.997 bonds (distance) P-C4' energy: -160.207 flat angles C4'-P-C4' energy: -174.856 flat angles P-C4'-P energy: -112.997 tors. eta vs tors. theta energy: -220.064 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: 3, replica: 9 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -2434.480112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.480112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.480112 (E_RNA) where: Base-Base interactions energy: -1693.458 where: short stacking energy: -690.375 Base-Backbone interact. energy: 0.634 local terms energy: -741.656803 where: bonds (distance) C4'-P energy: -123.086 bonds (distance) P-C4' energy: -145.818 flat angles C4'-P-C4' energy: -165.159 flat angles P-C4'-P energy: -100.343 tors. eta vs tors. theta energy: -207.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -2281.489036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.489036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.489036 (E_RNA) where: Base-Base interactions energy: -1548.325 where: short stacking energy: -663.978 Base-Backbone interact. energy: 3.636 local terms energy: -736.800249 where: bonds (distance) C4'-P energy: -141.550 bonds (distance) P-C4' energy: -142.795 flat angles C4'-P-C4' energy: -165.720 flat angles P-C4'-P energy: -90.305 tors. eta vs tors. theta energy: -196.431 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: 8 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -2167.736698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.736698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.736698 (E_RNA) where: Base-Base interactions energy: -1495.315 where: short stacking energy: -618.758 Base-Backbone interact. energy: -0.874 local terms energy: -671.547651 where: bonds (distance) C4'-P energy: -124.421 bonds (distance) P-C4' energy: -128.461 flat angles C4'-P-C4' energy: -152.968 flat angles P-C4'-P energy: -92.121 tors. eta vs tors. theta energy: -173.575 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: 1 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -2020.545693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.545693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.545693 (E_RNA) where: Base-Base interactions energy: -1425.054 where: short stacking energy: -598.549 Base-Backbone interact. energy: -1.527 local terms energy: -593.965162 where: bonds (distance) C4'-P energy: -122.028 bonds (distance) P-C4' energy: -126.238 flat angles C4'-P-C4' energy: -135.928 flat angles P-C4'-P energy: -67.657 tors. eta vs tors. theta energy: -142.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -1641.839383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.839383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.839383 (E_RNA) where: Base-Base interactions energy: -1066.820 where: short stacking energy: -477.245 Base-Backbone interact. energy: -0.261 local terms energy: -574.757904 where: bonds (distance) C4'-P energy: -116.165 bonds (distance) P-C4' energy: -127.778 flat angles C4'-P-C4' energy: -141.737 flat angles P-C4'-P energy: -84.557 tors. eta vs tors. theta energy: -104.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -1530.518405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.518405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.518405 (E_RNA) where: Base-Base interactions energy: -996.771 where: short stacking energy: -441.526 Base-Backbone interact. energy: -1.485 local terms energy: -532.262899 where: bonds (distance) C4'-P energy: -100.610 bonds (distance) P-C4' energy: -128.025 flat angles C4'-P-C4' energy: -142.221 flat angles P-C4'-P energy: -84.800 tors. eta vs tors. theta energy: -76.607 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: 9, replica: 10 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -855.239004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.239004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.239004 (E_RNA) where: Base-Base interactions energy: -425.722 where: short stacking energy: -227.790 Base-Backbone interact. energy: -1.872 local terms energy: -427.644607 where: bonds (distance) C4'-P energy: -115.919 bonds (distance) P-C4' energy: -140.555 flat angles C4'-P-C4' energy: -98.868 flat angles P-C4'-P energy: -71.631 tors. eta vs tors. theta energy: -0.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -727.441506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.441506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.441506 (E_RNA) where: Base-Base interactions energy: -374.792 where: short stacking energy: -226.588 Base-Backbone interact. energy: 1.410 local terms energy: -354.058703 where: bonds (distance) C4'-P energy: -109.137 bonds (distance) P-C4' energy: -108.987 flat angles C4'-P-C4' energy: -68.806 flat angles P-C4'-P energy: -64.095 tors. eta vs tors. theta energy: -3.033 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: 3 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -2651.414936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.414936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.414936 (E_RNA) where: Base-Base interactions energy: -1830.292 where: short stacking energy: -783.585 Base-Backbone interact. energy: -3.945 local terms energy: -817.178395 where: bonds (distance) C4'-P energy: -140.649 bonds (distance) P-C4' energy: -153.243 flat angles C4'-P-C4' energy: -172.970 flat angles P-C4'-P energy: -110.070 tors. eta vs tors. theta energy: -240.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -2458.869624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.869624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.869624 (E_RNA) where: Base-Base interactions energy: -1717.075 where: short stacking energy: -725.508 Base-Backbone interact. energy: -0.280 local terms energy: -741.514896 where: bonds (distance) C4'-P energy: -122.137 bonds (distance) P-C4' energy: -138.957 flat angles C4'-P-C4' energy: -169.670 flat angles P-C4'-P energy: -102.669 tors. eta vs tors. theta energy: -208.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -2427.987053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.987053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.987053 (E_RNA) where: Base-Base interactions energy: -1674.406 where: short stacking energy: -727.680 Base-Backbone interact. energy: -0.479 local terms energy: -753.101430 where: bonds (distance) C4'-P energy: -143.024 bonds (distance) P-C4' energy: -144.845 flat angles C4'-P-C4' energy: -156.166 flat angles P-C4'-P energy: -98.758 tors. eta vs tors. theta energy: -210.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -2274.129789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.129789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.129789 (E_RNA) where: Base-Base interactions energy: -1549.530 where: short stacking energy: -666.949 Base-Backbone interact. energy: -1.335 local terms energy: -723.264988 where: bonds (distance) C4'-P energy: -142.442 bonds (distance) P-C4' energy: -142.058 flat angles C4'-P-C4' energy: -163.586 flat angles P-C4'-P energy: -92.236 tors. eta vs tors. theta energy: -182.943 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: 8 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -2132.167450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.167450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.167450 (E_RNA) where: Base-Base interactions energy: -1459.760 where: short stacking energy: -627.823 Base-Backbone interact. energy: -0.080 local terms energy: -672.326684 where: bonds (distance) C4'-P energy: -135.272 bonds (distance) P-C4' energy: -131.802 flat angles C4'-P-C4' energy: -149.540 flat angles P-C4'-P energy: -94.423 tors. eta vs tors. theta energy: -161.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -2041.499496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.499496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.499496 (E_RNA) where: Base-Base interactions energy: -1416.590 where: short stacking energy: -615.443 Base-Backbone interact. energy: 0.101 local terms energy: -625.010178 where: bonds (distance) C4'-P energy: -102.930 bonds (distance) P-C4' energy: -138.710 flat angles C4'-P-C4' energy: -123.612 flat angles P-C4'-P energy: -99.427 tors. eta vs tors. theta energy: -160.331 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: 4 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -1630.108548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.108548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.108548 (E_RNA) where: Base-Base interactions energy: -1051.388 where: short stacking energy: -464.475 Base-Backbone interact. energy: 4.926 local terms energy: -583.645996 where: bonds (distance) C4'-P energy: -126.259 bonds (distance) P-C4' energy: -131.020 flat angles C4'-P-C4' energy: -149.102 flat angles P-C4'-P energy: -82.920 tors. eta vs tors. theta energy: -94.345 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: 8, replica: 5 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -1495.068736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.068736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.068736 (E_RNA) where: Base-Base interactions energy: -950.974 where: short stacking energy: -417.939 Base-Backbone interact. energy: -1.377 local terms energy: -542.717502 where: bonds (distance) C4'-P energy: -143.895 bonds (distance) P-C4' energy: -141.342 flat angles C4'-P-C4' energy: -116.579 flat angles P-C4'-P energy: -65.938 tors. eta vs tors. theta energy: -74.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -897.485564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.485564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.485564 (E_RNA) where: Base-Base interactions energy: -448.947 where: short stacking energy: -271.661 Base-Backbone interact. energy: -1.030 local terms energy: -447.508927 where: bonds (distance) C4'-P energy: -113.449 bonds (distance) P-C4' energy: -129.726 flat angles C4'-P-C4' energy: -107.798 flat angles P-C4'-P energy: -81.398 tors. eta vs tors. theta energy: -15.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -721.297112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.297112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.297112 (E_RNA) where: Base-Base interactions energy: -322.455 where: short stacking energy: -193.838 Base-Backbone interact. energy: 4.825 local terms energy: -403.666679 where: bonds (distance) C4'-P energy: -112.141 bonds (distance) P-C4' energy: -130.888 flat angles C4'-P-C4' energy: -99.033 flat angles P-C4'-P energy: -75.391 tors. eta vs tors. theta energy: 13.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -2631.580123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.580123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.580123 (E_RNA) where: Base-Base interactions energy: -1822.314 where: short stacking energy: -797.025 Base-Backbone interact. energy: -2.484 local terms energy: -806.782022 where: bonds (distance) C4'-P energy: -143.238 bonds (distance) P-C4' energy: -144.417 flat angles C4'-P-C4' energy: -172.981 flat angles P-C4'-P energy: -113.833 tors. eta vs tors. theta energy: -232.314 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: 2, replica: 7 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -2446.777425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.777425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.777425 (E_RNA) where: Base-Base interactions energy: -1674.090 where: short stacking energy: -717.033 Base-Backbone interact. energy: -2.303 local terms energy: -770.384801 where: bonds (distance) C4'-P energy: -131.438 bonds (distance) P-C4' energy: -157.505 flat angles C4'-P-C4' energy: -169.827 flat angles P-C4'-P energy: -99.383 tors. eta vs tors. theta energy: -212.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -2430.467335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.467335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.467335 (E_RNA) where: Base-Base interactions energy: -1666.677 where: short stacking energy: -707.659 Base-Backbone interact. energy: 0.486 local terms energy: -764.276528 where: bonds (distance) C4'-P energy: -145.585 bonds (distance) P-C4' energy: -143.323 flat angles C4'-P-C4' energy: -164.918 flat angles P-C4'-P energy: -100.773 tors. eta vs tors. theta energy: -209.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -2283.810647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.810647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.810647 (E_RNA) where: Base-Base interactions energy: -1558.850 where: short stacking energy: -650.933 Base-Backbone interact. energy: 1.168 local terms energy: -726.128784 where: bonds (distance) C4'-P energy: -150.648 bonds (distance) P-C4' energy: -144.438 flat angles C4'-P-C4' energy: -151.822 flat angles P-C4'-P energy: -93.725 tors. eta vs tors. theta energy: -185.496 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: 5, replica: 8 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -2129.396962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.396962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.396962 (E_RNA) where: Base-Base interactions energy: -1466.365 where: short stacking energy: -633.819 Base-Backbone interact. energy: 8.311 local terms energy: -671.342500 where: bonds (distance) C4'-P energy: -127.898 bonds (distance) P-C4' energy: -144.336 flat angles C4'-P-C4' energy: -148.030 flat angles P-C4'-P energy: -91.059 tors. eta vs tors. theta energy: -160.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -2069.094380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.094380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.094380 (E_RNA) where: Base-Base interactions energy: -1419.162 where: short stacking energy: -624.412 Base-Backbone interact. energy: -2.432 local terms energy: -647.499709 where: bonds (distance) C4'-P energy: -108.529 bonds (distance) P-C4' energy: -130.653 flat angles C4'-P-C4' energy: -151.885 flat angles P-C4'-P energy: -104.541 tors. eta vs tors. theta energy: -151.893 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: 7, replica: 4 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -1672.035274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.035274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.035274 (E_RNA) where: Base-Base interactions energy: -1091.561 where: short stacking energy: -519.360 Base-Backbone interact. energy: -1.426 local terms energy: -579.047980 where: bonds (distance) C4'-P energy: -110.153 bonds (distance) P-C4' energy: -131.262 flat angles C4'-P-C4' energy: -138.012 flat angles P-C4'-P energy: -86.699 tors. eta vs tors. theta energy: -112.922 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: 5 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -1454.992018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.992018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.992018 (E_RNA) where: Base-Base interactions energy: -950.908 where: short stacking energy: -413.943 Base-Backbone interact. energy: 3.526 local terms energy: -507.609614 where: bonds (distance) C4'-P energy: -117.495 bonds (distance) P-C4' energy: -116.374 flat angles C4'-P-C4' energy: -122.025 flat angles P-C4'-P energy: -74.082 tors. eta vs tors. theta energy: -77.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -900.622328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.622328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.622328 (E_RNA) where: Base-Base interactions energy: -451.667 where: short stacking energy: -270.682 Base-Backbone interact. energy: -2.458 local terms energy: -446.497538 where: bonds (distance) C4'-P energy: -108.341 bonds (distance) P-C4' energy: -127.950 flat angles C4'-P-C4' energy: -120.846 flat angles P-C4'-P energy: -55.927 tors. eta vs tors. theta energy: -33.433 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: 6 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -703.876594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.876594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.876594 (E_RNA) where: Base-Base interactions energy: -304.821 where: short stacking energy: -192.724 Base-Backbone interact. energy: -3.019 local terms energy: -396.036329 where: bonds (distance) C4'-P energy: -132.643 bonds (distance) P-C4' energy: -124.996 flat angles C4'-P-C4' energy: -102.601 flat angles P-C4'-P energy: -32.975 tors. eta vs tors. theta energy: -2.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -2644.838544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.838544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.838544 (E_RNA) where: Base-Base interactions energy: -1816.746 where: short stacking energy: -784.940 Base-Backbone interact. energy: -2.456 local terms energy: -825.636579 where: bonds (distance) C4'-P energy: -150.964 bonds (distance) P-C4' energy: -142.070 flat angles C4'-P-C4' energy: -176.354 flat angles P-C4'-P energy: -117.379 tors. eta vs tors. theta energy: -238.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -2517.975845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.975845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.975845 (E_RNA) where: Base-Base interactions energy: -1731.184 where: short stacking energy: -762.400 Base-Backbone interact. energy: -2.485 local terms energy: -784.306706 where: bonds (distance) C4'-P energy: -147.668 bonds (distance) P-C4' energy: -139.527 flat angles C4'-P-C4' energy: -173.572 flat angles P-C4'-P energy: -102.850 tors. eta vs tors. theta energy: -220.689 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: 3, replica: 9 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -2427.938731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.938731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.938731 (E_RNA) where: Base-Base interactions energy: -1664.724 where: short stacking energy: -711.171 Base-Backbone interact. energy: -1.912 local terms energy: -761.303216 where: bonds (distance) C4'-P energy: -135.188 bonds (distance) P-C4' energy: -142.367 flat angles C4'-P-C4' energy: -158.542 flat angles P-C4'-P energy: -106.912 tors. eta vs tors. theta energy: -218.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -2276.924855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.924855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.924855 (E_RNA) where: Base-Base interactions energy: -1556.983 where: short stacking energy: -628.919 Base-Backbone interact. energy: -2.386 local terms energy: -717.555868 where: bonds (distance) C4'-P energy: -134.616 bonds (distance) P-C4' energy: -143.998 flat angles C4'-P-C4' energy: -158.259 flat angles P-C4'-P energy: -98.488 tors. eta vs tors. theta energy: -182.195 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: 8 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -2098.767755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.767755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.767755 (E_RNA) where: Base-Base interactions energy: -1460.605 where: short stacking energy: -602.209 Base-Backbone interact. energy: -3.546 local terms energy: -634.616619 where: bonds (distance) C4'-P energy: -108.210 bonds (distance) P-C4' energy: -140.766 flat angles C4'-P-C4' energy: -151.821 flat angles P-C4'-P energy: -85.750 tors. eta vs tors. theta energy: -148.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -2058.340991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.340991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.340991 (E_RNA) where: Base-Base interactions energy: -1397.605 where: short stacking energy: -573.171 Base-Backbone interact. energy: -0.680 local terms energy: -660.055719 where: bonds (distance) C4'-P energy: -122.108 bonds (distance) P-C4' energy: -144.822 flat angles C4'-P-C4' energy: -145.459 flat angles P-C4'-P energy: -93.030 tors. eta vs tors. theta energy: -154.635 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: 498 Temperature: 1.200000 Total energy: -1634.227676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.227676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.227676 (E_RNA) where: Base-Base interactions energy: -1036.041 where: short stacking energy: -493.722 Base-Backbone interact. energy: -1.919 local terms energy: -596.267789 where: bonds (distance) C4'-P energy: -129.584 bonds (distance) P-C4' energy: -132.147 flat angles C4'-P-C4' energy: -149.098 flat angles P-C4'-P energy: -74.760 tors. eta vs tors. theta energy: -110.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -1451.554922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.554922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.554922 (E_RNA) where: Base-Base interactions energy: -915.756 where: short stacking energy: -411.554 Base-Backbone interact. energy: -0.950 local terms energy: -535.337573 where: bonds (distance) C4'-P energy: -130.889 bonds (distance) P-C4' energy: -126.154 flat angles C4'-P-C4' energy: -117.937 flat angles P-C4'-P energy: -90.381 tors. eta vs tors. theta energy: -69.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.489 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -892.297504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.297504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.297504 (E_RNA) where: Base-Base interactions energy: -442.641 where: short stacking energy: -253.123 Base-Backbone interact. energy: 2.519 local terms energy: -452.174810 where: bonds (distance) C4'-P energy: -108.130 bonds (distance) P-C4' energy: -123.420 flat angles C4'-P-C4' energy: -108.233 flat angles P-C4'-P energy: -84.221 tors. eta vs tors. theta energy: -28.170 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: 10, replica: 6 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -715.522099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.522099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.522099 (E_RNA) where: Base-Base interactions energy: -328.319 where: short stacking energy: -196.613 Base-Backbone interact. energy: 0.152 local terms energy: -387.355633 where: bonds (distance) C4'-P energy: -125.791 bonds (distance) P-C4' energy: -132.118 flat angles C4'-P-C4' energy: -101.547 flat angles P-C4'-P energy: -45.074 tors. eta vs tors. theta energy: 17.174 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: 3 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -2654.615226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.615226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.615226 (E_RNA) where: Base-Base interactions energy: -1818.470 where: short stacking energy: -760.390 Base-Backbone interact. energy: -4.697 local terms energy: -831.447860 where: bonds (distance) C4'-P energy: -155.066 bonds (distance) P-C4' energy: -144.097 flat angles C4'-P-C4' energy: -179.255 flat angles P-C4'-P energy: -118.649 tors. eta vs tors. theta energy: -234.380 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: 9 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -2458.165362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.165362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.165362 (E_RNA) where: Base-Base interactions energy: -1673.426 where: short stacking energy: -729.374 Base-Backbone interact. energy: -3.160 local terms energy: -781.578979 where: bonds (distance) C4'-P energy: -140.972 bonds (distance) P-C4' energy: -154.451 flat angles C4'-P-C4' energy: -166.784 flat angles P-C4'-P energy: -105.770 tors. eta vs tors. theta energy: -213.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -2411.721210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.721210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.721210 (E_RNA) where: Base-Base interactions energy: -1677.202 where: short stacking energy: -700.197 Base-Backbone interact. energy: 0.184 local terms energy: -734.702663 where: bonds (distance) C4'-P energy: -135.858 bonds (distance) P-C4' energy: -145.932 flat angles C4'-P-C4' energy: -158.980 flat angles P-C4'-P energy: -89.061 tors. eta vs tors. theta energy: -204.872 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: 2 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -2274.295296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.295296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.295296 (E_RNA) where: Base-Base interactions energy: -1585.320 where: short stacking energy: -669.676 Base-Backbone interact. energy: -0.286 local terms energy: -688.689348 where: bonds (distance) C4'-P energy: -118.828 bonds (distance) P-C4' energy: -129.545 flat angles C4'-P-C4' energy: -158.648 flat angles P-C4'-P energy: -97.933 tors. eta vs tors. theta energy: -183.735 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: 8 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -2147.013349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.013349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.013349 (E_RNA) where: Base-Base interactions energy: -1474.423 where: short stacking energy: -594.606 Base-Backbone interact. energy: 0.426 local terms energy: -673.015756 where: bonds (distance) C4'-P energy: -140.278 bonds (distance) P-C4' energy: -134.219 flat angles C4'-P-C4' energy: -156.944 flat angles P-C4'-P energy: -90.560 tors. eta vs tors. theta energy: -151.014 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: 6, replica: 1 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -2063.508380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.508380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.508380 (E_RNA) where: Base-Base interactions energy: -1403.526 where: short stacking energy: -588.995 Base-Backbone interact. energy: 0.234 local terms energy: -660.215920 where: bonds (distance) C4'-P energy: -123.832 bonds (distance) P-C4' energy: -136.800 flat angles C4'-P-C4' energy: -145.691 flat angles P-C4'-P energy: -91.584 tors. eta vs tors. theta energy: -162.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -1579.975715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.975715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.975715 (E_RNA) where: Base-Base interactions energy: -1022.169 where: short stacking energy: -467.470 Base-Backbone interact. energy: 0.195 local terms energy: -558.001741 where: bonds (distance) C4'-P energy: -117.009 bonds (distance) P-C4' energy: -128.560 flat angles C4'-P-C4' energy: -123.894 flat angles P-C4'-P energy: -80.703 tors. eta vs tors. theta energy: -107.835 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: 5 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -1477.609984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.609984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.609984 (E_RNA) where: Base-Base interactions energy: -945.872 where: short stacking energy: -424.045 Base-Backbone interact. energy: 0.317 local terms energy: -532.054598 where: bonds (distance) C4'-P energy: -96.646 bonds (distance) P-C4' energy: -142.491 flat angles C4'-P-C4' energy: -124.956 flat angles P-C4'-P energy: -86.126 tors. eta vs tors. theta energy: -81.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -870.607637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.607637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.607637 (E_RNA) where: Base-Base interactions energy: -423.901 where: short stacking energy: -230.536 Base-Backbone interact. energy: 5.453 local terms energy: -452.159534 where: bonds (distance) C4'-P energy: -132.794 bonds (distance) P-C4' energy: -137.067 flat angles C4'-P-C4' energy: -107.175 flat angles P-C4'-P energy: -69.086 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: 10, replica: 6 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -653.673286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.673286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.673286 (E_RNA) where: Base-Base interactions energy: -283.213 where: short stacking energy: -186.341 Base-Backbone interact. energy: -1.375 local terms energy: -369.085436 where: bonds (distance) C4'-P energy: -100.067 bonds (distance) P-C4' energy: -129.778 flat angles C4'-P-C4' energy: -88.970 flat angles P-C4'-P energy: -56.155 tors. eta vs tors. theta energy: 5.885 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: 3 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -2685.625503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.625503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.625503 (E_RNA) where: Base-Base interactions energy: -1869.794 where: short stacking energy: -799.289 Base-Backbone interact. energy: -2.862 local terms energy: -812.970084 where: bonds (distance) C4'-P energy: -158.307 bonds (distance) P-C4' energy: -144.170 flat angles C4'-P-C4' energy: -175.706 flat angles P-C4'-P energy: -107.547 tors. eta vs tors. theta energy: -227.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -2514.528223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.528223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.528223 (E_RNA) where: Base-Base interactions energy: -1737.280 where: short stacking energy: -760.434 Base-Backbone interact. energy: -1.456 local terms energy: -775.792346 where: bonds (distance) C4'-P energy: -133.163 bonds (distance) P-C4' energy: -149.296 flat angles C4'-P-C4' energy: -171.176 flat angles P-C4'-P energy: -107.791 tors. eta vs tors. theta energy: -214.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -2417.740324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.740324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.740324 (E_RNA) where: Base-Base interactions energy: -1669.440 where: short stacking energy: -704.770 Base-Backbone interact. energy: 1.423 local terms energy: -749.722594 where: bonds (distance) C4'-P energy: -141.707 bonds (distance) P-C4' energy: -139.769 flat angles C4'-P-C4' energy: -159.467 flat angles P-C4'-P energy: -106.976 tors. eta vs tors. theta energy: -201.804 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: 4, replica: 2 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -2243.229470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.229470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.229470 (E_RNA) where: Base-Base interactions energy: -1540.578 where: short stacking energy: -646.198 Base-Backbone interact. energy: -1.524 local terms energy: -701.127465 where: bonds (distance) C4'-P energy: -131.756 bonds (distance) P-C4' energy: -124.422 flat angles C4'-P-C4' energy: -160.042 flat angles P-C4'-P energy: -106.514 tors. eta vs tors. theta energy: -178.394 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: 5, replica: 8 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -2141.500474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.500474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.500474 (E_RNA) where: Base-Base interactions energy: -1442.157 where: short stacking energy: -607.875 Base-Backbone interact. energy: 2.336 local terms energy: -701.679259 where: bonds (distance) C4'-P energy: -125.448 bonds (distance) P-C4' energy: -141.234 flat angles C4'-P-C4' energy: -164.986 flat angles P-C4'-P energy: -98.122 tors. eta vs tors. theta energy: -171.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -2010.127767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.127767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.127767 (E_RNA) where: Base-Base interactions energy: -1379.753 where: short stacking energy: -591.132 Base-Backbone interact. energy: -1.187 local terms energy: -629.187503 where: bonds (distance) C4'-P energy: -120.832 bonds (distance) P-C4' energy: -127.724 flat angles C4'-P-C4' energy: -146.654 flat angles P-C4'-P energy: -93.256 tors. eta vs tors. theta energy: -140.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -1631.235042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.235042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.235042 (E_RNA) where: Base-Base interactions energy: -1051.516 where: short stacking energy: -461.715 Base-Backbone interact. energy: 2.817 local terms energy: -582.536801 where: bonds (distance) C4'-P energy: -132.523 bonds (distance) P-C4' energy: -138.709 flat angles C4'-P-C4' energy: -139.228 flat angles P-C4'-P energy: -65.796 tors. eta vs tors. theta energy: -106.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -1403.440315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.440315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.440315 (E_RNA) where: Base-Base interactions energy: -875.394 where: short stacking energy: -377.353 Base-Backbone interact. energy: -1.955 local terms energy: -526.091389 where: bonds (distance) C4'-P energy: -120.365 bonds (distance) P-C4' energy: -137.475 flat angles C4'-P-C4' energy: -135.949 flat angles P-C4'-P energy: -76.114 tors. eta vs tors. theta energy: -56.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -889.818084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.818084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.818084 (E_RNA) where: Base-Base interactions energy: -486.409 where: short stacking energy: -261.030 Base-Backbone interact. energy: 1.728 local terms energy: -405.136935 where: bonds (distance) C4'-P energy: -110.384 bonds (distance) P-C4' energy: -111.852 flat angles C4'-P-C4' energy: -101.633 flat angles P-C4'-P energy: -66.140 tors. eta vs tors. theta energy: -15.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -736.267306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.267306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.267306 (E_RNA) where: Base-Base interactions energy: -324.390 where: short stacking energy: -167.073 Base-Backbone interact. energy: -1.326 local terms energy: -410.551527 where: bonds (distance) C4'-P energy: -108.626 bonds (distance) P-C4' energy: -129.964 flat angles C4'-P-C4' energy: -114.355 flat angles P-C4'-P energy: -82.414 tors. eta vs tors. theta energy: 24.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -2669.361038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.361038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.361038 (E_RNA) where: Base-Base interactions energy: -1837.699 where: short stacking energy: -788.999 Base-Backbone interact. energy: -2.638 local terms energy: -829.023731 where: bonds (distance) C4'-P energy: -159.359 bonds (distance) P-C4' energy: -142.854 flat angles C4'-P-C4' energy: -173.270 flat angles P-C4'-P energy: -120.853 tors. eta vs tors. theta energy: -232.688 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: 2, replica: 9 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -2554.158567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.158567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.158567 (E_RNA) where: Base-Base interactions energy: -1766.399 where: short stacking energy: -742.687 Base-Backbone interact. energy: -1.897 local terms energy: -785.863090 where: bonds (distance) C4'-P energy: -145.683 bonds (distance) P-C4' energy: -151.264 flat angles C4'-P-C4' energy: -169.042 flat angles P-C4'-P energy: -101.409 tors. eta vs tors. theta energy: -218.464 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: 3, replica: 7 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -2412.307880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.307880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.307880 (E_RNA) where: Base-Base interactions energy: -1665.718 where: short stacking energy: -731.642 Base-Backbone interact. energy: -4.715 local terms energy: -741.874957 where: bonds (distance) C4'-P energy: -138.733 bonds (distance) P-C4' energy: -135.818 flat angles C4'-P-C4' energy: -153.865 flat angles P-C4'-P energy: -108.604 tors. eta vs tors. theta energy: -204.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -2268.273527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.273527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.273527 (E_RNA) where: Base-Base interactions energy: -1569.821 where: short stacking energy: -670.676 Base-Backbone interact. energy: -2.494 local terms energy: -695.958052 where: bonds (distance) C4'-P energy: -117.809 bonds (distance) P-C4' energy: -146.766 flat angles C4'-P-C4' energy: -159.284 flat angles P-C4'-P energy: -96.809 tors. eta vs tors. theta energy: -175.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -2146.112481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.112481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.112481 (E_RNA) where: Base-Base interactions energy: -1470.361 where: short stacking energy: -602.611 Base-Backbone interact. energy: -2.778 local terms energy: -672.973337 where: bonds (distance) C4'-P energy: -132.427 bonds (distance) P-C4' energy: -123.281 flat angles C4'-P-C4' energy: -155.143 flat angles P-C4'-P energy: -93.961 tors. eta vs tors. theta energy: -168.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -2057.475445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.475445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.475445 (E_RNA) where: Base-Base interactions energy: -1429.333 where: short stacking energy: -610.878 Base-Backbone interact. energy: -1.664 local terms energy: -626.477950 where: bonds (distance) C4'-P energy: -110.882 bonds (distance) P-C4' energy: -144.906 flat angles C4'-P-C4' energy: -127.772 flat angles P-C4'-P energy: -78.989 tors. eta vs tors. theta energy: -163.929 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: 4 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -1655.829666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.829666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.829666 (E_RNA) where: Base-Base interactions energy: -1065.853 where: short stacking energy: -507.079 Base-Backbone interact. energy: -5.062 local terms energy: -584.913930 where: bonds (distance) C4'-P energy: -116.838 bonds (distance) P-C4' energy: -129.115 flat angles C4'-P-C4' energy: -138.419 flat angles P-C4'-P energy: -91.062 tors. eta vs tors. theta energy: -109.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -1443.505237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.505237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.505237 (E_RNA) where: Base-Base interactions energy: -910.467 where: short stacking energy: -397.239 Base-Backbone interact. energy: -0.841 local terms energy: -532.196993 where: bonds (distance) C4'-P energy: -101.145 bonds (distance) P-C4' energy: -143.919 flat angles C4'-P-C4' energy: -128.563 flat angles P-C4'-P energy: -84.946 tors. eta vs tors. theta energy: -73.624 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: 501 Temperature: 1.300000 Total energy: -853.016399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.016399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.016399 (E_RNA) where: Base-Base interactions energy: -448.405 where: short stacking energy: -231.890 Base-Backbone interact. energy: 1.826 local terms energy: -406.437139 where: bonds (distance) C4'-P energy: -111.779 bonds (distance) P-C4' energy: -128.693 flat angles C4'-P-C4' energy: -114.889 flat angles P-C4'-P energy: -59.558 tors. eta vs tors. theta energy: 8.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -778.849730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.849730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.849730 (E_RNA) where: Base-Base interactions energy: -380.460 where: short stacking energy: -231.212 Base-Backbone interact. energy: 8.629 local terms energy: -407.018868 where: bonds (distance) C4'-P energy: -110.920 bonds (distance) P-C4' energy: -125.678 flat angles C4'-P-C4' energy: -109.138 flat angles P-C4'-P energy: -53.912 tors. eta vs tors. theta energy: -7.371 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) replica 3 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 122637387 moves confirmed later: 134085057 all moves confirmed: 256722444 percent of confirmed moves: 32.090305 current total energy: -2564.890650 recalc. total energy: -2564.890650 replica 9 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 194326088 moves confirmed later: 228770223 all moves confirmed: 423096311 percent of confirmed moves: 52.887039 current total energy: -2395.458625 recalc. total energy: -2395.458625 replica 7 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 151454108 moves confirmed later: 172058850 all moves confirmed: 323512958 percent of confirmed moves: 40.439120 current total energy: -2268.285382 recalc. total energy: -2268.285382 replica 2 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 131448477 moves confirmed later: 145430418 all moves confirmed: 276878895 percent of confirmed moves: 34.609862 current total energy: -2147.556584 recalc. total energy: -2147.556584 replica 8 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 155718682 moves confirmed later: 178228128 all moves confirmed: 333946810 percent of confirmed moves: 41.743351 current total energy: -1978.152246 recalc. total energy: -1978.152246 replica 1 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 224355599 moves confirmed later: 267522896 all moves confirmed: 491878495 percent of confirmed moves: 61.484812 current total energy: -1760.524563 recalc. total energy: -1760.524563 replica 4 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 149843161 moves confirmed later: 170634348 all moves confirmed: 320477509 percent of confirmed moves: 40.059689 current total energy: -1448.092667 recalc. total energy: -1448.092667 replica 5 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 220095872 moves confirmed later: 262691102 all moves confirmed: 482786974 percent of confirmed moves: 60.348372 current total energy: -1290.081897 recalc. total energy: -1290.081897 replica 10 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 268330820 moves confirmed later: 325618383 all moves confirmed: 593949203 percent of confirmed moves: 74.243650 current total energy: -698.981525 recalc. total energy: -698.981525 replica 6 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 177394793 moves confirmed later: 206417936 all moves confirmed: 383812729 percent of confirmed moves: 47.976591 current total energy: -510.060213 recalc. total energy: -510.060213 out arg RESULTS//1/3_mut-28ef762a_01 Time of doing 8000000 iterations: 53601.695 seconds