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/viet-60e855be/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/viet-60e855be/inputs/seq.fa: 1
curr_seq: _GGGCCAUUUACCGUUUCUGAUUUGGAGGGAGUGGAAGUCUCCCAUCCUCAUCACUGUUUCUCCAAGCGAAUCUCUGUAUAGUUUCAGUGACUCGAACUGUGUUAUCAUUCCAUUCAAGUCCUCCGAUGAGGACGCCAAUUGCAUUUUUGACAUCCUCACCAGUAUGUCCUGGAAGAGAAGGUAAUGGCCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGCCAUUUACCGUUUCUGAUUUGGAGGGAGUGGAAGUCUCCCAUCCUCAUCACUGUUUCUCCAAGCGAAUCUCUGUAUAGUUUCAGUGACUCGAACUGUGUUAUCAUUCCAUUCAAGUCCUCCGAUGAGGACGCCAAUUGCAUUUUUGACAUCCUCACCAGUAUGUCCUGGAAGAGAAGGUAAUGGCCC
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 190 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: 955
n_atoms_counter: 955
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 190.000000 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/viet-60e855be/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/viet-60e855be/inputs/seq.fa: 1
curr_seq: _GGGCCAUUUACCGUUUCUGAUUUGGAGGGAGUGGAAGUCUCCCAUCCUCAUCACUGUUUCUCCAAGCGAAUCUCUGUAUAGUUUCAGUGACUCGAACUGUGUUAUCAUUCCAUUCAAGUCCUCCGAUGAGGACGCCAAUUGCAUUUUUGACAUCCUCACCAGUAUGUCCUGGAAGAGAAGGUAAUGGCCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGCCAUUUACCGUUUCUGAUUUGGAGGGAGUGGAAGUCUCCCAUCCUCAUCACUGUUUCUCCAAGCGAAUCUCUGUAUAGUUUCAGUGACUCGAACUGUGUUAUCAUUCCAUUCAAGUCCUCCGAUGAGGACGCCAAUUGCAUUUUUGACAUCCUCACCAGUAUGUCCUGGAAGAGAAGGUAAUGGCCC
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 190 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: 955
n_atoms_counter: 955
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 190.000000 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/viet-60e855be/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/viet-60e855be/inputs/seq.fa: 1
curr_seq: _GGGCCAUUUACCGUUUCUGAUUUGGAGGGAGUGGAAGUCUCCCAUCCUCAUCACUGUUUCUCCAAGCGAAUCUCUGUAUAGUUUCAGUGACUCGAACUGUGUUAUCAUUCCAUUCAAGUCCUCCGAUGAGGACGCCAAUUGCAUUUUUGACAUCCUCACCAGUAUGUCCUGGAAGAGAAGGUAAUGGCCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGCCAUUUACCGUUUCUGAUUUGGAGGGAGUGGAAGUCUCCCAUCCUCAUCACUGUUUCUCCAAGCGAAUCUCUGUAUAGUUUCAGUGACUCGAACUGUGUUAUCAUUCCAUUCAAGUCCUCCGAUGAGGACGCCAAUUGCAUUUUUGACAUCCUCACCAGUAUGUCCUGGAAGAGAAGGUAAUGGCCC
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 190 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: 955
n_atoms_counter: 955
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 190.000000 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/viet-60e855be/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/viet-60e855be/inputs/seq.fa: 1
curr_seq: _GGGCCAUUUACCGUUUCUGAUUUGGAGGGAGUGGAAGUCUCCCAUCCUCAUCACUGUUUCUCCAAGCGAAUCUCUGUAUAGUUUCAGUGACUCGAACUGUGUUAUCAUUCCAUUCAAGUCCUCCGAUGAGGACGCCAAUUGCAUUUUUGACAUCCUCACCAGUAUGUCCUGGAAGAGAAGGUAAUGGCCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGCCAUUUACCGUUUCUGAUUUGGAGGGAGUGGAAGUCUCCCAUCCUCAUCACUGUUUCUCCAAGCGAAUCUCUGUAUAGUUUCAGUGACUCGAACUGUGUUAUCAUUCCAUUCAAGUCCUCCGAUGAGGACGCCAAUUGCAUUUUUGACAUCCUCACCAGUAUGUCCUGGAAGAGAAGGUAAUGGCCC
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 190 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: 955
n_atoms_counter: 955
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 190.000000 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/viet-60e855be/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/viet-60e855be/inputs/seq.fa: 1
curr_seq: _GGGCCAUUUACCGUUUCUGAUUUGGAGGGAGUGGAAGUCUCCCAUCCUCAUCACUGUUUCUCCAAGCGAAUCUCUGUAUAGUUUCAGUGACUCGAACUGUGUUAUCAUUCCAUUCAAGUCCUCCGAUGAGGACGCCAAUUGCAUUUUUGACAUCCUCACCAGUAUGUCCUGGAAGAGAAGGUAAUGGCCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGCCAUUUACCGUUUCUGAUUUGGAGGGAGUGGAAGUCUCCCAUCCUCAUCACUGUUUCUCCAAGCGAAUCUCUGUAUAGUUUCAGUGACUCGAACUGUGUUAUCAUUCCAUUCAAGUCCUCCGAUGAGGACGCCAAUUGCAUUUUUGACAUCCUCACCAGUAUGUCCUGGAAGAGAAGGUAAUGGCCC
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 190 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: 955
n_atoms_counter: 955
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 190.000000 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/viet-60e855be/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/viet-60e855be/inputs/seq.fa: 1
curr_seq: _GGGCCAUUUACCGUUUCUGAUUUGGAGGGAGUGGAAGUCUCCCAUCCUCAUCACUGUUUCUCCAAGCGAAUCUCUGUAUAGUUUCAGUGACUCGAACUGUGUUAUCAUUCCAUUCAAGUCCUCCGAUGAGGACGCCAAUUGCAUUUUUGACAUCCUCACCAGUAUGUCCUGGAAGAGAAGGUAAUGGCCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGCCAUUUACCGUUUCUGAUUUGGAGGGAGUGGAAGUCUCCCAUCCUCAUCACUGUUUCUCCAAGCGAAUCUCUGUAUAGUUUCAGUGACUCGAACUGUGUUAUCAUUCCAUUCAAGUCCUCCGAUGAGGACGCCAAUUGCAUUUUUGACAUCCUCACCAGUAUGUCCUGGAAGAGAAGGUAAUGGCCC
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 190 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: 955
n_atoms_counter: 955
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 190.000000 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/viet-60e855be/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/viet-60e855be/inputs/seq.fa: 1
curr_seq: _GGGCCAUUUACCGUUUCUGAUUUGGAGGGAGUGGAAGUCUCCCAUCCUCAUCACUGUUUCUCCAAGCGAAUCUCUGUAUAGUUUCAGUGACUCGAACUGUGUUAUCAUUCCAUUCAAGUCCUCCGAUGAGGACGCCAAUUGCAUUUUUGACAUCCUCACCAGUAUGUCCUGGAAGAGAAGGUAAUGGCCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGCCAUUUACCGUUUCUGAUUUGGAGGGAGUGGAAGUCUCCCAUCCUCAUCACUGUUUCUCCAAGCGAAUCUCUGUAUAGUUUCAGUGACUCGAACUGUGUUAUCAUUCCAUUCAAGUCCUCCGAUGAGGACGCCAAUUGCAUUUUUGACAUCCUCACCAGUAUGUCCUGGAAGAGAAGGUAAUGGCCC
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 190 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: 955
n_atoms_counter: 955
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 190.000000 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/viet-60e855be/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/viet-60e855be/inputs/seq.fa: 1
curr_seq: _GGGCCAUUUACCGUUUCUGAUUUGGAGGGAGUGGAAGUCUCCCAUCCUCAUCACUGUUUCUCCAAGCGAAUCUCUGUAUAGUUUCAGUGACUCGAACUGUGUUAUCAUUCCAUUCAAGUCCUCCGAUGAGGACGCCAAUUGCAUUUUUGACAUCCUCACCAGUAUGUCCUGGAAGAGAAGGUAAUGGCCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGCCAUUUACCGUUUCUGAUUUGGAGGGAGUGGAAGUCUCCCAUCCUCAUCACUGUUUCUCCAAGCGAAUCUCUGUAUAGUUUCAGUGACUCGAACUGUGUUAUCAUUCCAUUCAAGUCCUCCGAUGAGGACGCCAAUUGCAUUUUUGACAUCCUCACCAGUAUGUCCUGGAAGAGAAGGUAAUGGCCC
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 190 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: 955
n_atoms_counter: 955
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 190.000000 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/viet-60e855be/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/viet-60e855be/inputs/seq.fa: 1
curr_seq: _GGGCCAUUUACCGUUUCUGAUUUGGAGGGAGUGGAAGUCUCCCAUCCUCAUCACUGUUUCUCCAAGCGAAUCUCUGUAUAGUUUCAGUGACUCGAACUGUGUUAUCAUUCCAUUCAAGUCCUCCGAUGAGGACGCCAAUUGCAUUUUUGACAUCCUCACCAGUAUGUCCUGGAAGAGAAGGUAAUGGCCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGCCAUUUACCGUUUCUGAUUUGGAGGGAGUGGAAGUCUCCCAUCCUCAUCACUGUUUCUCCAAGCGAAUCUCUGUAUAGUUUCAGUGACUCGAACUGUGUUAUCAUUCCAUUCAAGUCCUCCGAUGAGGACGCCAAUUGCAUUUUUGACAUCCUCACCAGUAUGUCCUGGAAGAGAAGGUAAUGGCCC
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 190 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: 955
n_atoms_counter: 955
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 190.000000 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/viet-60e855be/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/viet-60e855be/inputs/seq.fa: 1
curr_seq: _GGGCCAUUUACCGUUUCUGAUUUGGAGGGAGUGGAAGUCUCCCAUCCUCAUCACUGUUUCUCCAAGCGAAUCUCUGUAUAGUUUCAGUGACUCGAACUGUGUUAUCAUUCCAUUCAAGUCCUCCGAUGAGGACGCCAAUUGCAUUUUUGACAUCCUCACCAGUAUGUCCUGGAAGAGAAGGUAAUGGCCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGCCAUUUACCGUUUCUGAUUUGGAGGGAGUGGAAGUCUCCCAUCCUCAUCACUGUUUCUCCAAGCGAAUCUCUGUAUAGUUUCAGUGACUCGAACUGUGUUAUCAUUCCAUUCAAGUCCUCCGAUGAGGACGCCAAUUGCAUUUUUGACAUCCUCACCAGUAUGUCCUGGAAGAGAAGGUAAUGGCCC
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 190 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: 955
n_atoms_counter: 955
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 190.000000 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: -752.154776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.154776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.154776 (E_RNA)
where:
Base-Base interactions energy: -12.607
where: short stacking energy: -12.607
Base-Backbone interact. energy: -0.000
local terms energy: -739.547694
where:
bonds (distance) C4'-P energy: -184.600
bonds (distance) P-C4' energy: -170.879
flat angles C4'-P-C4' energy: -139.503
flat angles P-C4'-P energy: -159.576
tors. eta vs tors. theta energy: -84.990
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: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -752.154776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.154776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.154776 (E_RNA)
where:
Base-Base interactions energy: -12.607
where: short stacking energy: -12.607
Base-Backbone interact. energy: -0.000
local terms energy: -739.547694
where:
bonds (distance) C4'-P energy: -184.600
bonds (distance) P-C4' energy: -170.879
flat angles C4'-P-C4' energy: -139.503
flat angles P-C4'-P energy: -159.576
tors. eta vs tors. theta energy: -84.990
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: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -752.154776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.154776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.154776 (E_RNA)
where:
Base-Base interactions energy: -12.607
where: short stacking energy: -12.607
Base-Backbone interact. energy: -0.000
local terms energy: -739.547694
where:
bonds (distance) C4'-P energy: -184.600
bonds (distance) P-C4' energy: -170.879
flat angles C4'-P-C4' energy: -139.503
flat angles P-C4'-P energy: -159.576
tors. eta vs tors. theta energy: -84.990
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: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -752.154776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.154776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.154776 (E_RNA)
where:
Base-Base interactions energy: -12.607
where: short stacking energy: -12.607
Base-Backbone interact. energy: -0.000
local terms energy: -739.547694
where:
bonds (distance) C4'-P energy: -184.600
bonds (distance) P-C4' energy: -170.879
flat angles C4'-P-C4' energy: -139.503
flat angles P-C4'-P energy: -159.576
tors. eta vs tors. theta energy: -84.990
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: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -752.154776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.154776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.154776 (E_RNA)
where:
Base-Base interactions energy: -12.607
where: short stacking energy: -12.607
Base-Backbone interact. energy: -0.000
local terms energy: -739.547694
where:
bonds (distance) C4'-P energy: -184.600
bonds (distance) P-C4' energy: -170.879
flat angles C4'-P-C4' energy: -139.503
flat angles P-C4'-P energy: -159.576
tors. eta vs tors. theta energy: -84.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -752.154776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.154776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.154776 (E_RNA)
where:
Base-Base interactions energy: -12.607
where: short stacking energy: -12.607
Base-Backbone interact. energy: -0.000
local terms energy: -739.547694
where:
bonds (distance) C4'-P energy: -184.600
bonds (distance) P-C4' energy: -170.879
flat angles C4'-P-C4' energy: -139.503
flat angles P-C4'-P energy: -159.576
tors. eta vs tors. theta energy: -84.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -752.154776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.154776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.154776 (E_RNA)
where:
Base-Base interactions energy: -12.607
where: short stacking energy: -12.607
Base-Backbone interact. energy: -0.000
local terms energy: -739.547694
where:
bonds (distance) C4'-P energy: -184.600
bonds (distance) P-C4' energy: -170.879
flat angles C4'-P-C4' energy: -139.503
flat angles P-C4'-P energy: -159.576
tors. eta vs tors. theta energy: -84.990
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: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -752.154776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.154776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.154776 (E_RNA)
where:
Base-Base interactions energy: -12.607
where: short stacking energy: -12.607
Base-Backbone interact. energy: -0.000
local terms energy: -739.547694
where:
bonds (distance) C4'-P energy: -184.600
bonds (distance) P-C4' energy: -170.879
flat angles C4'-P-C4' energy: -139.503
flat angles P-C4'-P energy: -159.576
tors. eta vs tors. theta energy: -84.990
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: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -752.154776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.154776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.154776 (E_RNA)
where:
Base-Base interactions energy: -12.607
where: short stacking energy: -12.607
Base-Backbone interact. energy: -0.000
local terms energy: -739.547694
where:
bonds (distance) C4'-P energy: -184.600
bonds (distance) P-C4' energy: -170.879
flat angles C4'-P-C4' energy: -139.503
flat angles P-C4'-P energy: -159.576
tors. eta vs tors. theta energy: -84.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -752.154776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.154776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.154776 (E_RNA)
where:
Base-Base interactions energy: -12.607
where: short stacking energy: -12.607
Base-Backbone interact. energy: -0.000
local terms energy: -739.547694
where:
bonds (distance) C4'-P energy: -184.600
bonds (distance) P-C4' energy: -170.879
flat angles C4'-P-C4' energy: -139.503
flat angles P-C4'-P energy: -159.576
tors. eta vs tors. theta energy: -84.990
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: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -910.760376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.760376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.760376 (E_RNA)
where:
Base-Base interactions energy: -369.366
where: short stacking energy: -365.669
Base-Backbone interact. energy: -0.054
local terms energy: -541.341154
where:
bonds (distance) C4'-P energy: -112.567
bonds (distance) P-C4' energy: -130.341
flat angles C4'-P-C4' energy: -120.595
flat angles P-C4'-P energy: -70.972
tors. eta vs tors. theta energy: -106.866
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: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -865.818847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.818847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.818847 (E_RNA)
where:
Base-Base interactions energy: -344.245
where: short stacking energy: -332.746
Base-Backbone interact. energy: -0.348
local terms energy: -521.226329
where:
bonds (distance) C4'-P energy: -127.465
bonds (distance) P-C4' energy: -120.024
flat angles C4'-P-C4' energy: -121.178
flat angles P-C4'-P energy: -81.518
tors. eta vs tors. theta energy: -71.042
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: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -800.741229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.741229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.741229 (E_RNA)
where:
Base-Base interactions energy: -329.803
where: short stacking energy: -331.085
Base-Backbone interact. energy: -0.799
local terms energy: -470.138516
where:
bonds (distance) C4'-P energy: -116.869
bonds (distance) P-C4' energy: -111.011
flat angles C4'-P-C4' energy: -115.213
flat angles P-C4'-P energy: -68.521
tors. eta vs tors. theta energy: -58.525
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: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -781.149454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.149454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.149454 (E_RNA)
where:
Base-Base interactions energy: -306.391
where: short stacking energy: -304.881
Base-Backbone interact. energy: -0.075
local terms energy: -474.683455
where:
bonds (distance) C4'-P energy: -107.774
bonds (distance) P-C4' energy: -122.542
flat angles C4'-P-C4' energy: -112.691
flat angles P-C4'-P energy: -56.252
tors. eta vs tors. theta energy: -75.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -757.146057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.146057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.146057 (E_RNA)
where:
Base-Base interactions energy: -167.331
where: short stacking energy: -167.331
Base-Backbone interact. energy: -0.000
local terms energy: -589.814437
where:
bonds (distance) C4'-P energy: -118.349
bonds (distance) P-C4' energy: -104.062
flat angles C4'-P-C4' energy: -139.767
flat angles P-C4'-P energy: -134.143
tors. eta vs tors. theta energy: -93.493
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: 2
Temperature: 1.150000
Total energy: -753.216228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.216228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.216228 (E_RNA)
where:
Base-Base interactions energy: -14.422
where: short stacking energy: -14.422
Base-Backbone interact. energy: -0.000
local terms energy: -738.794157
where:
bonds (distance) C4'-P energy: -184.368
bonds (distance) P-C4' energy: -170.865
flat angles C4'-P-C4' energy: -138.909
flat angles P-C4'-P energy: -159.380
tors. eta vs tors. theta energy: -85.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -755.645293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.645293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.645293 (E_RNA)
where:
Base-Base interactions energy: -67.238
where: short stacking energy: -67.238
Base-Backbone interact. energy: -0.000
local terms energy: -688.407385
where:
bonds (distance) C4'-P energy: -163.840
bonds (distance) P-C4' energy: -145.658
flat angles C4'-P-C4' energy: -139.322
flat angles P-C4'-P energy: -148.655
tors. eta vs tors. theta energy: -90.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -760.792677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.792677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.792677 (E_RNA)
where:
Base-Base interactions energy: -40.762
where: short stacking energy: -40.762
Base-Backbone interact. energy: -0.000
local terms energy: -720.030150
where:
bonds (distance) C4'-P energy: -178.544
bonds (distance) P-C4' energy: -158.409
flat angles C4'-P-C4' energy: -140.270
flat angles P-C4'-P energy: -156.071
tors. eta vs tors. theta energy: -86.736
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: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -758.501350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.501350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.501350 (E_RNA)
where:
Base-Base interactions energy: -39.484
where: short stacking energy: -39.484
Base-Backbone interact. energy: -0.000
local terms energy: -719.017499
where:
bonds (distance) C4'-P energy: -178.552
bonds (distance) P-C4' energy: -157.109
flat angles C4'-P-C4' energy: -140.989
flat angles P-C4'-P energy: -156.003
tors. eta vs tors. theta energy: -86.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -760.551268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.551268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.551268 (E_RNA)
where:
Base-Base interactions energy: -40.680
where: short stacking energy: -40.680
Base-Backbone interact. energy: -0.000
local terms energy: -719.871420
where:
bonds (distance) C4'-P energy: -177.579
bonds (distance) P-C4' energy: -161.340
flat angles C4'-P-C4' energy: -137.411
flat angles P-C4'-P energy: -155.528
tors. eta vs tors. theta energy: -88.014
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -962.338152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.338152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.338152 (E_RNA)
where:
Base-Base interactions energy: -408.535
where: short stacking energy: -394.219
Base-Backbone interact. energy: -1.358
local terms energy: -552.445151
where:
bonds (distance) C4'-P energy: -109.875
bonds (distance) P-C4' energy: -131.781
flat angles C4'-P-C4' energy: -120.984
flat angles P-C4'-P energy: -81.236
tors. eta vs tors. theta energy: -108.569
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: -914.235232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.235232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.235232 (E_RNA)
where:
Base-Base interactions energy: -379.173
where: short stacking energy: -358.803
Base-Backbone interact. energy: 0.249
local terms energy: -535.310989
where:
bonds (distance) C4'-P energy: -118.330
bonds (distance) P-C4' energy: -121.340
flat angles C4'-P-C4' energy: -115.432
flat angles P-C4'-P energy: -85.574
tors. eta vs tors. theta energy: -94.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -821.501760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.501760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.501760 (E_RNA)
where:
Base-Base interactions energy: -336.208
where: short stacking energy: -324.866
Base-Backbone interact. energy: -0.667
local terms energy: -484.626449
where:
bonds (distance) C4'-P energy: -117.564
bonds (distance) P-C4' energy: -104.572
flat angles C4'-P-C4' energy: -120.992
flat angles P-C4'-P energy: -57.808
tors. eta vs tors. theta energy: -83.691
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: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -794.346520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.346520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.346520 (E_RNA)
where:
Base-Base interactions energy: -338.092
where: short stacking energy: -337.030
Base-Backbone interact. energy: -0.519
local terms energy: -455.736175
where:
bonds (distance) C4'-P energy: -116.637
bonds (distance) P-C4' energy: -97.561
flat angles C4'-P-C4' energy: -93.527
flat angles P-C4'-P energy: -70.755
tors. eta vs tors. theta energy: -77.257
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: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -728.608736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.608736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.608736 (E_RNA)
where:
Base-Base interactions energy: -298.351
where: short stacking energy: -268.411
Base-Backbone interact. energy: -1.466
local terms energy: -428.791608
where:
bonds (distance) C4'-P energy: -115.436
bonds (distance) P-C4' energy: -98.290
flat angles C4'-P-C4' energy: -102.937
flat angles P-C4'-P energy: -73.894
tors. eta vs tors. theta energy: -38.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -680.777881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.777881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.777881 (E_RNA)
where:
Base-Base interactions energy: -277.670
where: short stacking energy: -183.802
Base-Backbone interact. energy: -1.244
local terms energy: -401.863890
where:
bonds (distance) C4'-P energy: -104.933
bonds (distance) P-C4' energy: -125.196
flat angles C4'-P-C4' energy: -85.653
flat angles P-C4'-P energy: -64.513
tors. eta vs tors. theta energy: -21.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -585.099218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.099218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.099218 (E_RNA)
where:
Base-Base interactions energy: -193.738
where: short stacking energy: -162.840
Base-Backbone interact. energy: 0.826
local terms energy: -392.186870
where:
bonds (distance) C4'-P energy: -107.853
bonds (distance) P-C4' energy: -114.244
flat angles C4'-P-C4' energy: -96.774
flat angles P-C4'-P energy: -72.471
tors. eta vs tors. theta energy: -0.844
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: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -525.334090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.334090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.334090 (E_RNA)
where:
Base-Base interactions energy: -167.900
where: short stacking energy: -152.747
Base-Backbone interact. energy: -2.057
local terms energy: -355.377201
where:
bonds (distance) C4'-P energy: -101.430
bonds (distance) P-C4' energy: -111.584
flat angles C4'-P-C4' energy: -89.371
flat angles P-C4'-P energy: -41.803
tors. eta vs tors. theta energy: -11.190
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: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -473.592619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.592619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.592619 (E_RNA)
where:
Base-Base interactions energy: -152.170
where: short stacking energy: -139.986
Base-Backbone interact. energy: -0.671
local terms energy: -320.751598
where:
bonds (distance) C4'-P energy: -97.407
bonds (distance) P-C4' energy: -116.358
flat angles C4'-P-C4' energy: -83.024
flat angles P-C4'-P energy: -29.791
tors. eta vs tors. theta energy: 5.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -442.346740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.346740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.346740 (E_RNA)
where:
Base-Base interactions energy: -142.418
where: short stacking energy: -122.629
Base-Backbone interact. energy: -1.447
local terms energy: -298.482072
where:
bonds (distance) C4'-P energy: -105.967
bonds (distance) P-C4' energy: -95.182
flat angles C4'-P-C4' energy: -71.649
flat angles P-C4'-P energy: -47.316
tors. eta vs tors. theta energy: 21.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -1076.531252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.531252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.531252 (E_RNA)
where:
Base-Base interactions energy: -525.741
where: short stacking energy: -388.926
Base-Backbone interact. energy: 0.346
local terms energy: -551.135908
where:
bonds (distance) C4'-P energy: -117.621
bonds (distance) P-C4' energy: -129.283
flat angles C4'-P-C4' energy: -129.830
flat angles P-C4'-P energy: -80.734
tors. eta vs tors. theta energy: -93.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -958.812949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.812949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.812949 (E_RNA)
where:
Base-Base interactions energy: -428.671
where: short stacking energy: -374.456
Base-Backbone interact. energy: -0.586
local terms energy: -529.555872
where:
bonds (distance) C4'-P energy: -113.526
bonds (distance) P-C4' energy: -104.416
flat angles C4'-P-C4' energy: -124.808
flat angles P-C4'-P energy: -93.003
tors. eta vs tors. theta energy: -93.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -881.983208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.983208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.983208 (E_RNA)
where:
Base-Base interactions energy: -394.036
where: short stacking energy: -326.760
Base-Backbone interact. energy: -0.919
local terms energy: -487.028783
where:
bonds (distance) C4'-P energy: -108.652
bonds (distance) P-C4' energy: -126.433
flat angles C4'-P-C4' energy: -112.155
flat angles P-C4'-P energy: -75.333
tors. eta vs tors. theta energy: -64.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -791.522955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.522955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.522955 (E_RNA)
where:
Base-Base interactions energy: -354.865
where: short stacking energy: -286.550
Base-Backbone interact. energy: 5.061
local terms energy: -441.718718
where:
bonds (distance) C4'-P energy: -100.909
bonds (distance) P-C4' energy: -103.332
flat angles C4'-P-C4' energy: -106.571
flat angles P-C4'-P energy: -78.284
tors. eta vs tors. theta energy: -52.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -730.044091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.044091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.044091 (E_RNA)
where:
Base-Base interactions energy: -303.077
where: short stacking energy: -228.722
Base-Backbone interact. energy: -3.136
local terms energy: -423.831223
where:
bonds (distance) C4'-P energy: -107.149
bonds (distance) P-C4' energy: -126.140
flat angles C4'-P-C4' energy: -93.225
flat angles P-C4'-P energy: -63.116
tors. eta vs tors. theta energy: -34.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -702.637216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.637216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.637216 (E_RNA)
where:
Base-Base interactions energy: -272.261
where: short stacking energy: -215.157
Base-Backbone interact. energy: -0.961
local terms energy: -429.414947
where:
bonds (distance) C4'-P energy: -110.451
bonds (distance) P-C4' energy: -112.480
flat angles C4'-P-C4' energy: -103.007
flat angles P-C4'-P energy: -74.066
tors. eta vs tors. theta energy: -29.411
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: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -568.037543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.037543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.037543 (E_RNA)
where:
Base-Base interactions energy: -183.610
where: short stacking energy: -158.108
Base-Backbone interact. energy: -2.260
local terms energy: -382.167524
where:
bonds (distance) C4'-P energy: -98.858
bonds (distance) P-C4' energy: -107.399
flat angles C4'-P-C4' energy: -75.473
flat angles P-C4'-P energy: -81.538
tors. eta vs tors. theta energy: -18.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -558.739986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.739986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.739986 (E_RNA)
where:
Base-Base interactions energy: -221.789
where: short stacking energy: -189.169
Base-Backbone interact. energy: -0.153
local terms energy: -336.798385
where:
bonds (distance) C4'-P energy: -99.588
bonds (distance) P-C4' energy: -86.868
flat angles C4'-P-C4' energy: -82.817
flat angles P-C4'-P energy: -54.794
tors. eta vs tors. theta energy: -12.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -544.283883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.283883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.283883 (E_RNA)
where:
Base-Base interactions energy: -226.359
where: short stacking energy: -151.279
Base-Backbone interact. energy: -1.064
local terms energy: -316.861093
where:
bonds (distance) C4'-P energy: -99.252
bonds (distance) P-C4' energy: -75.146
flat angles C4'-P-C4' energy: -102.291
flat angles P-C4'-P energy: -51.178
tors. eta vs tors. theta energy: 11.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -438.573321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.573321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.573321 (E_RNA)
where:
Base-Base interactions energy: -134.247
where: short stacking energy: -103.091
Base-Backbone interact. energy: -0.227
local terms energy: -304.100022
where:
bonds (distance) C4'-P energy: -81.105
bonds (distance) P-C4' energy: -98.290
flat angles C4'-P-C4' energy: -88.855
flat angles P-C4'-P energy: -56.046
tors. eta vs tors. theta energy: 20.196
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: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -1145.902552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.902552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.902552 (E_RNA)
where:
Base-Base interactions energy: -585.986
where: short stacking energy: -453.956
Base-Backbone interact. energy: -0.134
local terms energy: -559.782216
where:
bonds (distance) C4'-P energy: -129.800
bonds (distance) P-C4' energy: -114.512
flat angles C4'-P-C4' energy: -132.203
flat angles P-C4'-P energy: -76.670
tors. eta vs tors. theta energy: -106.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -947.561703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.561703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.561703 (E_RNA)
where:
Base-Base interactions energy: -414.476
where: short stacking energy: -364.387
Base-Backbone interact. energy: -1.547
local terms energy: -531.538900
where:
bonds (distance) C4'-P energy: -110.721
bonds (distance) P-C4' energy: -121.089
flat angles C4'-P-C4' energy: -121.685
flat angles P-C4'-P energy: -86.531
tors. eta vs tors. theta energy: -91.513
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: 3, replica: 4
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -899.343543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.343543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.343543 (E_RNA)
where:
Base-Base interactions energy: -409.551
where: short stacking energy: -296.589
Base-Backbone interact. energy: -1.503
local terms energy: -488.289052
where:
bonds (distance) C4'-P energy: -117.924
bonds (distance) P-C4' energy: -105.183
flat angles C4'-P-C4' energy: -117.671
flat angles P-C4'-P energy: -79.235
tors. eta vs tors. theta energy: -68.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -862.781533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.781533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.781533 (E_RNA)
where:
Base-Base interactions energy: -385.514
where: short stacking energy: -313.379
Base-Backbone interact. energy: -2.354
local terms energy: -474.913411
where:
bonds (distance) C4'-P energy: -105.851
bonds (distance) P-C4' energy: -111.336
flat angles C4'-P-C4' energy: -117.017
flat angles P-C4'-P energy: -68.516
tors. eta vs tors. theta energy: -72.192
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: 5, replica: 6
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -723.068265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.068265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.068265 (E_RNA)
where:
Base-Base interactions energy: -326.377
where: short stacking energy: -239.096
Base-Backbone interact. energy: -2.904
local terms energy: -393.787317
where:
bonds (distance) C4'-P energy: -105.860
bonds (distance) P-C4' energy: -100.676
flat angles C4'-P-C4' energy: -81.149
flat angles P-C4'-P energy: -59.863
tors. eta vs tors. theta energy: -46.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -677.673510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.673510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.673510 (E_RNA)
where:
Base-Base interactions energy: -290.490
where: short stacking energy: -221.960
Base-Backbone interact. energy: 2.378
local terms energy: -389.561188
where:
bonds (distance) C4'-P energy: -86.628
bonds (distance) P-C4' energy: -114.908
flat angles C4'-P-C4' energy: -84.252
flat angles P-C4'-P energy: -65.126
tors. eta vs tors. theta energy: -38.648
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: 7, replica: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -562.119072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.119072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.119072 (E_RNA)
where:
Base-Base interactions energy: -205.667
where: short stacking energy: -174.108
Base-Backbone interact. energy: -0.822
local terms energy: -355.630479
where:
bonds (distance) C4'-P energy: -104.011
bonds (distance) P-C4' energy: -98.973
flat angles C4'-P-C4' energy: -92.171
flat angles P-C4'-P energy: -49.901
tors. eta vs tors. theta energy: -10.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -595.469417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.469417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.469417 (E_RNA)
where:
Base-Base interactions energy: -238.045
where: short stacking energy: -180.982
Base-Backbone interact. energy: -2.291
local terms energy: -355.133011
where:
bonds (distance) C4'-P energy: -91.728
bonds (distance) P-C4' energy: -113.811
flat angles C4'-P-C4' energy: -95.315
flat angles P-C4'-P energy: -56.191
tors. eta vs tors. theta energy: 1.912
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: 8
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -551.684717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.684717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.684717 (E_RNA)
where:
Base-Base interactions energy: -214.759
where: short stacking energy: -153.184
Base-Backbone interact. energy: -0.108
local terms energy: -336.817073
where:
bonds (distance) C4'-P energy: -97.276
bonds (distance) P-C4' energy: -104.267
flat angles C4'-P-C4' energy: -86.326
flat angles P-C4'-P energy: -48.728
tors. eta vs tors. theta energy: -0.221
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: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -463.463166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.463166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.463166 (E_RNA)
where:
Base-Base interactions energy: -143.816
where: short stacking energy: -127.055
Base-Backbone interact. energy: 3.372
local terms energy: -323.019054
where:
bonds (distance) C4'-P energy: -98.884
bonds (distance) P-C4' energy: -91.827
flat angles C4'-P-C4' energy: -81.016
flat angles P-C4'-P energy: -65.129
tors. eta vs tors. theta energy: 13.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -1152.473549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.473549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.473549 (E_RNA)
where:
Base-Base interactions energy: -586.894
where: short stacking energy: -447.435
Base-Backbone interact. energy: 0.762
local terms energy: -566.340929
where:
bonds (distance) C4'-P energy: -122.593
bonds (distance) P-C4' energy: -114.874
flat angles C4'-P-C4' energy: -137.891
flat angles P-C4'-P energy: -67.608
tors. eta vs tors. theta energy: -123.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -969.046111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.046111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.046111 (E_RNA)
where:
Base-Base interactions energy: -487.210
where: short stacking energy: -378.332
Base-Backbone interact. energy: -1.826
local terms energy: -480.010182
where:
bonds (distance) C4'-P energy: -111.143
bonds (distance) P-C4' energy: -114.518
flat angles C4'-P-C4' energy: -107.732
flat angles P-C4'-P energy: -70.566
tors. eta vs tors. theta energy: -76.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -961.141662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.141662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.141662 (E_RNA)
where:
Base-Base interactions energy: -475.818
where: short stacking energy: -349.307
Base-Backbone interact. energy: -1.826
local terms energy: -483.498209
where:
bonds (distance) C4'-P energy: -118.445
bonds (distance) P-C4' energy: -120.443
flat angles C4'-P-C4' energy: -92.946
flat angles P-C4'-P energy: -77.780
tors. eta vs tors. theta energy: -73.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -862.962790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.962790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.962790 (E_RNA)
where:
Base-Base interactions energy: -421.455
where: short stacking energy: -300.510
Base-Backbone interact. energy: 0.687
local terms energy: -442.194766
where:
bonds (distance) C4'-P energy: -118.384
bonds (distance) P-C4' energy: -115.296
flat angles C4'-P-C4' energy: -93.700
flat angles P-C4'-P energy: -67.064
tors. eta vs tors. theta energy: -47.750
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: 6
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -782.287489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.287489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.287489 (E_RNA)
where:
Base-Base interactions energy: -339.832
where: short stacking energy: -252.842
Base-Backbone interact. energy: -1.526
local terms energy: -440.929241
where:
bonds (distance) C4'-P energy: -104.372
bonds (distance) P-C4' energy: -116.587
flat angles C4'-P-C4' energy: -115.283
flat angles P-C4'-P energy: -61.004
tors. eta vs tors. theta energy: -43.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -757.546875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.546875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.546875 (E_RNA)
where:
Base-Base interactions energy: -326.584
where: short stacking energy: -198.174
Base-Backbone interact. energy: -0.464
local terms energy: -430.499203
where:
bonds (distance) C4'-P energy: -117.877
bonds (distance) P-C4' energy: -105.516
flat angles C4'-P-C4' energy: -93.064
flat angles P-C4'-P energy: -85.216
tors. eta vs tors. theta energy: -28.825
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: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -687.023836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.023836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.023836 (E_RNA)
where:
Base-Base interactions energy: -311.021
where: short stacking energy: -201.526
Base-Backbone interact. energy: 2.046
local terms energy: -378.048596
where:
bonds (distance) C4'-P energy: -104.691
bonds (distance) P-C4' energy: -98.425
flat angles C4'-P-C4' energy: -92.974
flat angles P-C4'-P energy: -68.033
tors. eta vs tors. theta energy: -13.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -583.806527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.806527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.806527 (E_RNA)
where:
Base-Base interactions energy: -224.078
where: short stacking energy: -195.011
Base-Backbone interact. energy: -0.175
local terms energy: -359.553766
where:
bonds (distance) C4'-P energy: -91.664
bonds (distance) P-C4' energy: -91.819
flat angles C4'-P-C4' energy: -91.919
flat angles P-C4'-P energy: -57.084
tors. eta vs tors. theta energy: -27.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -518.297113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.297113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.297113 (E_RNA)
where:
Base-Base interactions energy: -187.079
where: short stacking energy: -114.643
Base-Backbone interact. energy: 0.354
local terms energy: -331.572024
where:
bonds (distance) C4'-P energy: -98.502
bonds (distance) P-C4' energy: -105.701
flat angles C4'-P-C4' energy: -91.736
flat angles P-C4'-P energy: -56.882
tors. eta vs tors. theta energy: 21.250
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: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -450.690735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.690735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.690735 (E_RNA)
where:
Base-Base interactions energy: -171.292
where: short stacking energy: -135.690
Base-Backbone interact. energy: 0.774
local terms energy: -280.172447
where:
bonds (distance) C4'-P energy: -93.464
bonds (distance) P-C4' energy: -77.655
flat angles C4'-P-C4' energy: -75.824
flat angles P-C4'-P energy: -54.289
tors. eta vs tors. theta energy: 21.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -1182.392002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.392002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.392002 (E_RNA)
where:
Base-Base interactions energy: -607.958
where: short stacking energy: -427.746
Base-Backbone interact. energy: -0.247
local terms energy: -574.186738
where:
bonds (distance) C4'-P energy: -128.343
bonds (distance) P-C4' energy: -124.445
flat angles C4'-P-C4' energy: -128.633
flat angles P-C4'-P energy: -81.295
tors. eta vs tors. theta energy: -111.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -1062.019010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.019010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.019010 (E_RNA)
where:
Base-Base interactions energy: -548.812
where: short stacking energy: -356.971
Base-Backbone interact. energy: -0.721
local terms energy: -512.486433
where:
bonds (distance) C4'-P energy: -95.725
bonds (distance) P-C4' energy: -123.287
flat angles C4'-P-C4' energy: -130.101
flat angles P-C4'-P energy: -69.961
tors. eta vs tors. theta energy: -93.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -965.957342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.957342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.957342 (E_RNA)
where:
Base-Base interactions energy: -450.253
where: short stacking energy: -378.048
Base-Backbone interact. energy: -0.743
local terms energy: -514.961210
where:
bonds (distance) C4'-P energy: -117.333
bonds (distance) P-C4' energy: -112.488
flat angles C4'-P-C4' energy: -114.197
flat angles P-C4'-P energy: -74.960
tors. eta vs tors. theta energy: -95.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -874.368706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.368706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.368706 (E_RNA)
where:
Base-Base interactions energy: -426.446
where: short stacking energy: -298.303
Base-Backbone interact. energy: -0.474
local terms energy: -447.448742
where:
bonds (distance) C4'-P energy: -113.942
bonds (distance) P-C4' energy: -115.156
flat angles C4'-P-C4' energy: -99.898
flat angles P-C4'-P energy: -72.546
tors. eta vs tors. theta energy: -45.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -740.965813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.965813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.965813 (E_RNA)
where:
Base-Base interactions energy: -320.813
where: short stacking energy: -247.056
Base-Backbone interact. energy: 2.306
local terms energy: -422.458555
where:
bonds (distance) C4'-P energy: -101.729
bonds (distance) P-C4' energy: -104.408
flat angles C4'-P-C4' energy: -102.242
flat angles P-C4'-P energy: -77.611
tors. eta vs tors. theta energy: -36.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -782.805824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.805824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.805824 (E_RNA)
where:
Base-Base interactions energy: -362.294
where: short stacking energy: -236.694
Base-Backbone interact. energy: -1.586
local terms energy: -418.926042
where:
bonds (distance) C4'-P energy: -99.345
bonds (distance) P-C4' energy: -117.939
flat angles C4'-P-C4' energy: -108.908
flat angles P-C4'-P energy: -55.827
tors. eta vs tors. theta energy: -36.908
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: 7, replica: 5
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -802.521571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.521571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.521571 (E_RNA)
where:
Base-Base interactions energy: -412.542
where: short stacking energy: -244.546
Base-Backbone interact. energy: 1.357
local terms energy: -391.336498
where:
bonds (distance) C4'-P energy: -92.899
bonds (distance) P-C4' energy: -113.656
flat angles C4'-P-C4' energy: -104.695
flat angles P-C4'-P energy: -52.261
tors. eta vs tors. theta energy: -27.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -528.189237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.189237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.189237 (E_RNA)
where:
Base-Base interactions energy: -187.268
where: short stacking energy: -158.767
Base-Backbone interact. energy: 2.356
local terms energy: -343.277224
where:
bonds (distance) C4'-P energy: -101.129
bonds (distance) P-C4' energy: -105.262
flat angles C4'-P-C4' energy: -78.586
flat angles P-C4'-P energy: -46.452
tors. eta vs tors. theta energy: -11.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -535.271291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.271291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.271291 (E_RNA)
where:
Base-Base interactions energy: -221.385
where: short stacking energy: -137.744
Base-Backbone interact. energy: 2.721
local terms energy: -316.606953
where:
bonds (distance) C4'-P energy: -81.214
bonds (distance) P-C4' energy: -100.466
flat angles C4'-P-C4' energy: -82.208
flat angles P-C4'-P energy: -53.644
tors. eta vs tors. theta energy: 0.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -449.457055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.457055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.457055 (E_RNA)
where:
Base-Base interactions energy: -176.997
where: short stacking energy: -144.142
Base-Backbone interact. energy: 1.517
local terms energy: -273.977217
where:
bonds (distance) C4'-P energy: -80.092
bonds (distance) P-C4' energy: -108.790
flat angles C4'-P-C4' energy: -53.005
flat angles P-C4'-P energy: -44.297
tors. eta vs tors. theta energy: 12.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1213.015770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.015770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.015770 (E_RNA)
where:
Base-Base interactions energy: -668.530
where: short stacking energy: -426.290
Base-Backbone interact. energy: -1.555
local terms energy: -542.931127
where:
bonds (distance) C4'-P energy: -121.797
bonds (distance) P-C4' energy: -121.974
flat angles C4'-P-C4' energy: -105.959
flat angles P-C4'-P energy: -77.624
tors. eta vs tors. theta energy: -115.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -1087.052530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.052530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.052530 (E_RNA)
where:
Base-Base interactions energy: -559.952
where: short stacking energy: -365.303
Base-Backbone interact. energy: -2.380
local terms energy: -524.720519
where:
bonds (distance) C4'-P energy: -109.301
bonds (distance) P-C4' energy: -122.179
flat angles C4'-P-C4' energy: -124.646
flat angles P-C4'-P energy: -84.878
tors. eta vs tors. theta energy: -83.717
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: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -923.361426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.361426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.361426 (E_RNA)
where:
Base-Base interactions energy: -432.406
where: short stacking energy: -347.985
Base-Backbone interact. energy: -0.100
local terms energy: -490.855579
where:
bonds (distance) C4'-P energy: -105.455
bonds (distance) P-C4' energy: -106.013
flat angles C4'-P-C4' energy: -111.765
flat angles P-C4'-P energy: -81.631
tors. eta vs tors. theta energy: -85.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -860.497138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.497138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.497138 (E_RNA)
where:
Base-Base interactions energy: -411.849
where: short stacking energy: -270.135
Base-Backbone interact. energy: -1.638
local terms energy: -447.010019
where:
bonds (distance) C4'-P energy: -107.873
bonds (distance) P-C4' energy: -116.348
flat angles C4'-P-C4' energy: -103.639
flat angles P-C4'-P energy: -78.554
tors. eta vs tors. theta energy: -40.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -912.098267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.098267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.098267 (E_RNA)
where:
Base-Base interactions energy: -488.927
where: short stacking energy: -326.959
Base-Backbone interact. energy: -0.654
local terms energy: -422.517171
where:
bonds (distance) C4'-P energy: -88.006
bonds (distance) P-C4' energy: -110.571
flat angles C4'-P-C4' energy: -107.020
flat angles P-C4'-P energy: -51.264
tors. eta vs tors. theta energy: -65.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -701.236806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.236806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.236806 (E_RNA)
where:
Base-Base interactions energy: -334.752
where: short stacking energy: -241.753
Base-Backbone interact. energy: -2.344
local terms energy: -364.140944
where:
bonds (distance) C4'-P energy: -92.163
bonds (distance) P-C4' energy: -96.291
flat angles C4'-P-C4' energy: -105.483
flat angles P-C4'-P energy: -57.722
tors. eta vs tors. theta energy: -12.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -807.141805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.141805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.141805 (E_RNA)
where:
Base-Base interactions energy: -418.395
where: short stacking energy: -252.804
Base-Backbone interact. energy: -3.921
local terms energy: -384.825820
where:
bonds (distance) C4'-P energy: -92.066
bonds (distance) P-C4' energy: -118.351
flat angles C4'-P-C4' energy: -100.523
flat angles P-C4'-P energy: -55.381
tors. eta vs tors. theta energy: -18.505
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: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -562.432811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.432811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.432811 (E_RNA)
where:
Base-Base interactions energy: -226.669
where: short stacking energy: -173.865
Base-Backbone interact. energy: -2.254
local terms energy: -333.509395
where:
bonds (distance) C4'-P energy: -98.366
bonds (distance) P-C4' energy: -100.078
flat angles C4'-P-C4' energy: -89.398
flat angles P-C4'-P energy: -44.529
tors. eta vs tors. theta energy: -1.138
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: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -570.503414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.503414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.503414 (E_RNA)
where:
Base-Base interactions energy: -252.512
where: short stacking energy: -169.250
Base-Backbone interact. energy: -0.236
local terms energy: -317.756006
where:
bonds (distance) C4'-P energy: -99.600
bonds (distance) P-C4' energy: -104.826
flat angles C4'-P-C4' energy: -78.576
flat angles P-C4'-P energy: -48.258
tors. eta vs tors. theta energy: 13.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -476.812290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.812290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.812290 (E_RNA)
where:
Base-Base interactions energy: -170.547
where: short stacking energy: -127.893
Base-Backbone interact. energy: -0.177
local terms energy: -306.087879
where:
bonds (distance) C4'-P energy: -92.971
bonds (distance) P-C4' energy: -112.735
flat angles C4'-P-C4' energy: -76.753
flat angles P-C4'-P energy: -43.070
tors. eta vs tors. theta energy: 19.440
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: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1235.671180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.671180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.671180 (E_RNA)
where:
Base-Base interactions energy: -690.997
where: short stacking energy: -406.724
Base-Backbone interact. energy: -3.399
local terms energy: -541.275291
where:
bonds (distance) C4'-P energy: -114.281
bonds (distance) P-C4' energy: -128.239
flat angles C4'-P-C4' energy: -123.694
flat angles P-C4'-P energy: -81.196
tors. eta vs tors. theta energy: -93.866
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: 4
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -1155.331204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.331204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.331204 (E_RNA)
where:
Base-Base interactions energy: -640.656
where: short stacking energy: -400.597
Base-Backbone interact. energy: -3.011
local terms energy: -511.664685
where:
bonds (distance) C4'-P energy: -121.221
bonds (distance) P-C4' energy: -108.039
flat angles C4'-P-C4' energy: -122.224
flat angles P-C4'-P energy: -78.373
tors. eta vs tors. theta energy: -81.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -921.379415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.379415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.379415 (E_RNA)
where:
Base-Base interactions energy: -409.053
where: short stacking energy: -322.330
Base-Backbone interact. energy: -2.337
local terms energy: -509.990189
where:
bonds (distance) C4'-P energy: -116.751
bonds (distance) P-C4' energy: -115.643
flat angles C4'-P-C4' energy: -117.451
flat angles P-C4'-P energy: -84.340
tors. eta vs tors. theta energy: -75.805
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: 4, replica: 7
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -1043.378379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.378379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.378379 (E_RNA)
where:
Base-Base interactions energy: -579.819
where: short stacking energy: -325.402
Base-Backbone interact. energy: 0.826
local terms energy: -464.384694
where:
bonds (distance) C4'-P energy: -111.000
bonds (distance) P-C4' energy: -104.368
flat angles C4'-P-C4' energy: -107.593
flat angles P-C4'-P energy: -70.721
tors. eta vs tors. theta energy: -70.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -804.066799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.066799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.066799 (E_RNA)
where:
Base-Base interactions energy: -366.951
where: short stacking energy: -281.039
Base-Backbone interact. energy: 5.481
local terms energy: -442.596920
where:
bonds (distance) C4'-P energy: -116.738
bonds (distance) P-C4' energy: -108.236
flat angles C4'-P-C4' energy: -94.183
flat angles P-C4'-P energy: -74.151
tors. eta vs tors. theta energy: -49.289
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: 5
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -838.272306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.272306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.272306 (E_RNA)
where:
Base-Base interactions energy: -422.807
where: short stacking energy: -263.835
Base-Backbone interact. energy: -3.323
local terms energy: -412.142991
where:
bonds (distance) C4'-P energy: -102.565
bonds (distance) P-C4' energy: -100.764
flat angles C4'-P-C4' energy: -103.055
flat angles P-C4'-P energy: -65.939
tors. eta vs tors. theta energy: -39.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -647.900862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.900862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.900862 (E_RNA)
where:
Base-Base interactions energy: -271.382
where: short stacking energy: -192.553
Base-Backbone interact. energy: -0.936
local terms energy: -375.582781
where:
bonds (distance) C4'-P energy: -105.240
bonds (distance) P-C4' energy: -107.937
flat angles C4'-P-C4' energy: -91.289
flat angles P-C4'-P energy: -57.662
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: 8, replica: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -562.815736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.815736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.815736 (E_RNA)
where:
Base-Base interactions energy: -241.034
where: short stacking energy: -185.313
Base-Backbone interact. energy: -1.567
local terms energy: -320.214459
where:
bonds (distance) C4'-P energy: -94.650
bonds (distance) P-C4' energy: -106.178
flat angles C4'-P-C4' energy: -74.634
flat angles P-C4'-P energy: -48.661
tors. eta vs tors. theta energy: 3.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -615.885121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.885121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.885121 (E_RNA)
where:
Base-Base interactions energy: -319.567
where: short stacking energy: -174.613
Base-Backbone interact. energy: -0.847
local terms energy: -295.470576
where:
bonds (distance) C4'-P energy: -78.720
bonds (distance) P-C4' energy: -85.106
flat angles C4'-P-C4' energy: -87.828
flat angles P-C4'-P energy: -50.027
tors. eta vs tors. theta energy: 6.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -447.998470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.998470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.998470 (E_RNA)
where:
Base-Base interactions energy: -162.495
where: short stacking energy: -118.449
Base-Backbone interact. energy: 4.337
local terms energy: -289.841103
where:
bonds (distance) C4'-P energy: -99.026
bonds (distance) P-C4' energy: -113.091
flat angles C4'-P-C4' energy: -73.286
flat angles P-C4'-P energy: -27.061
tors. eta vs tors. theta energy: 22.623
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: 2
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1358.296611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.296611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.296611 (E_RNA)
where:
Base-Base interactions energy: -803.879
where: short stacking energy: -465.515
Base-Backbone interact. energy: -1.952
local terms energy: -552.465119
where:
bonds (distance) C4'-P energy: -97.136
bonds (distance) P-C4' energy: -130.364
flat angles C4'-P-C4' energy: -124.733
flat angles P-C4'-P energy: -75.966
tors. eta vs tors. theta energy: -124.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1246.610156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.610156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.610156 (E_RNA)
where:
Base-Base interactions energy: -703.429
where: short stacking energy: -419.785
Base-Backbone interact. energy: -3.044
local terms energy: -540.137622
where:
bonds (distance) C4'-P energy: -108.256
bonds (distance) P-C4' energy: -111.286
flat angles C4'-P-C4' energy: -115.119
flat angles P-C4'-P energy: -86.483
tors. eta vs tors. theta energy: -118.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -1209.427600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.427600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.427600 (E_RNA)
where:
Base-Base interactions energy: -701.244
where: short stacking energy: -367.774
Base-Backbone interact. energy: -0.337
local terms energy: -507.846852
where:
bonds (distance) C4'-P energy: -107.434
bonds (distance) P-C4' energy: -115.635
flat angles C4'-P-C4' energy: -115.010
flat angles P-C4'-P energy: -73.799
tors. eta vs tors. theta energy: -95.969
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: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -924.796137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.796137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.796137 (E_RNA)
where:
Base-Base interactions energy: -480.349
where: short stacking energy: -316.475
Base-Backbone interact. energy: 0.034
local terms energy: -444.481537
where:
bonds (distance) C4'-P energy: -102.275
bonds (distance) P-C4' energy: -108.592
flat angles C4'-P-C4' energy: -103.299
flat angles P-C4'-P energy: -66.100
tors. eta vs tors. theta energy: -64.216
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: 5
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -868.610253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.610253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.610253 (E_RNA)
where:
Base-Base interactions energy: -445.742
where: short stacking energy: -257.301
Base-Backbone interact. energy: -3.489
local terms energy: -419.379669
where:
bonds (distance) C4'-P energy: -98.284
bonds (distance) P-C4' energy: -106.823
flat angles C4'-P-C4' energy: -121.724
flat angles P-C4'-P energy: -55.922
tors. eta vs tors. theta energy: -36.627
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: 6, replica: 3
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -742.928198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.928198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.928198 (E_RNA)
where:
Base-Base interactions energy: -325.526
where: short stacking energy: -243.871
Base-Backbone interact. energy: 1.799
local terms energy: -419.201737
where:
bonds (distance) C4'-P energy: -116.450
bonds (distance) P-C4' energy: -106.092
flat angles C4'-P-C4' energy: -109.384
flat angles P-C4'-P energy: -67.935
tors. eta vs tors. theta energy: -19.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -687.212140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.212140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.212140 (E_RNA)
where:
Base-Base interactions energy: -302.546
where: short stacking energy: -187.523
Base-Backbone interact. energy: 2.167
local terms energy: -386.832879
where:
bonds (distance) C4'-P energy: -106.634
bonds (distance) P-C4' energy: -106.933
flat angles C4'-P-C4' energy: -105.769
flat angles P-C4'-P energy: -50.213
tors. eta vs tors. theta energy: -17.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -569.126836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.126836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.126836 (E_RNA)
where:
Base-Base interactions energy: -236.476
where: short stacking energy: -143.018
Base-Backbone interact. energy: -0.589
local terms energy: -332.061823
where:
bonds (distance) C4'-P energy: -94.318
bonds (distance) P-C4' energy: -102.105
flat angles C4'-P-C4' energy: -86.774
flat angles P-C4'-P energy: -58.355
tors. eta vs tors. theta energy: 9.490
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: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -603.649408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.649408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.649408 (E_RNA)
where:
Base-Base interactions energy: -252.999
where: short stacking energy: -167.700
Base-Backbone interact. energy: 0.439
local terms energy: -351.088975
where:
bonds (distance) C4'-P energy: -98.963
bonds (distance) P-C4' energy: -113.472
flat angles C4'-P-C4' energy: -68.388
flat angles P-C4'-P energy: -58.354
tors. eta vs tors. theta energy: -11.912
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: 10
Temperature: 1.350000
Total energy: -434.374507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.374507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.374507 (E_RNA)
where:
Base-Base interactions energy: -154.870
where: short stacking energy: -114.461
Base-Backbone interact. energy: 2.249
local terms energy: -281.754439
where:
bonds (distance) C4'-P energy: -76.458
bonds (distance) P-C4' energy: -97.670
flat angles C4'-P-C4' energy: -87.046
flat angles P-C4'-P energy: -37.852
tors. eta vs tors. theta energy: 17.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1375.418916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.418916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.418916 (E_RNA)
where:
Base-Base interactions energy: -841.244
where: short stacking energy: -440.855
Base-Backbone interact. energy: -2.832
local terms energy: -531.343056
where:
bonds (distance) C4'-P energy: -116.796
bonds (distance) P-C4' energy: -113.890
flat angles C4'-P-C4' energy: -116.679
flat angles P-C4'-P energy: -68.377
tors. eta vs tors. theta energy: -115.601
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: 2, replica: 7
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1346.349333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.349333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.349333 (E_RNA)
where:
Base-Base interactions energy: -808.233
where: short stacking energy: -423.447
Base-Backbone interact. energy: -3.631
local terms energy: -534.485672
where:
bonds (distance) C4'-P energy: -111.467
bonds (distance) P-C4' energy: -113.981
flat angles C4'-P-C4' energy: -110.201
flat angles P-C4'-P energy: -79.974
tors. eta vs tors. theta energy: -118.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -1219.447162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.447162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.447162 (E_RNA)
where:
Base-Base interactions energy: -675.317
where: short stacking energy: -402.318
Base-Backbone interact. energy: -0.175
local terms energy: -543.954853
where:
bonds (distance) C4'-P energy: -114.556
bonds (distance) P-C4' energy: -114.276
flat angles C4'-P-C4' energy: -130.861
flat angles P-C4'-P energy: -75.094
tors. eta vs tors. theta energy: -109.168
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: 5
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -975.168794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.168794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.168794 (E_RNA)
where:
Base-Base interactions energy: -542.889
where: short stacking energy: -322.654
Base-Backbone interact. energy: 1.940
local terms energy: -434.219865
where:
bonds (distance) C4'-P energy: -91.392
bonds (distance) P-C4' energy: -98.500
flat angles C4'-P-C4' energy: -102.399
flat angles P-C4'-P energy: -72.225
tors. eta vs tors. theta energy: -69.704
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: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -866.369830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.369830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.369830 (E_RNA)
where:
Base-Base interactions energy: -417.073
where: short stacking energy: -277.614
Base-Backbone interact. energy: 0.550
local terms energy: -449.846391
where:
bonds (distance) C4'-P energy: -107.599
bonds (distance) P-C4' energy: -103.205
flat angles C4'-P-C4' energy: -110.878
flat angles P-C4'-P energy: -78.594
tors. eta vs tors. theta energy: -49.570
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: 3
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -775.085931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.085931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.085931 (E_RNA)
where:
Base-Base interactions energy: -366.269
where: short stacking energy: -250.141
Base-Backbone interact. energy: -1.399
local terms energy: -407.417300
where:
bonds (distance) C4'-P energy: -96.881
bonds (distance) P-C4' energy: -102.540
flat angles C4'-P-C4' energy: -92.922
flat angles P-C4'-P energy: -77.414
tors. eta vs tors. theta energy: -37.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -626.098546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.098546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.098546 (E_RNA)
where:
Base-Base interactions energy: -258.432
where: short stacking energy: -192.461
Base-Backbone interact. energy: -0.803
local terms energy: -366.862821
where:
bonds (distance) C4'-P energy: -91.799
bonds (distance) P-C4' energy: -131.421
flat angles C4'-P-C4' energy: -92.769
flat angles P-C4'-P energy: -43.716
tors. eta vs tors. theta energy: -7.159
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: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -586.529742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.529742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.529742 (E_RNA)
where:
Base-Base interactions energy: -215.318
where: short stacking energy: -160.316
Base-Backbone interact. energy: -0.869
local terms energy: -370.342413
where:
bonds (distance) C4'-P energy: -107.724
bonds (distance) P-C4' energy: -111.290
flat angles C4'-P-C4' energy: -108.674
flat angles P-C4'-P energy: -42.782
tors. eta vs tors. theta energy: 0.127
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: 9
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -516.356301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.356301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.356301 (E_RNA)
where:
Base-Base interactions energy: -191.884
where: short stacking energy: -163.210
Base-Backbone interact. energy: -3.641
local terms energy: -320.831338
where:
bonds (distance) C4'-P energy: -103.858
bonds (distance) P-C4' energy: -111.645
flat angles C4'-P-C4' energy: -82.050
flat angles P-C4'-P energy: -36.073
tors. eta vs tors. theta energy: 12.795
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: 11
Temperature: 1.350000
Total energy: -475.521158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.521158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.521158 (E_RNA)
where:
Base-Base interactions energy: -175.235
where: short stacking energy: -120.011
Base-Backbone interact. energy: 1.654
local terms energy: -301.939934
where:
bonds (distance) C4'-P energy: -84.244
bonds (distance) P-C4' energy: -103.515
flat angles C4'-P-C4' energy: -76.296
flat angles P-C4'-P energy: -53.112
tors. eta vs tors. theta energy: 15.227
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: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1420.213889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.213889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.213889 (E_RNA)
where:
Base-Base interactions energy: -852.645
where: short stacking energy: -464.159
Base-Backbone interact. energy: -0.622
local terms energy: -566.946860
where:
bonds (distance) C4'-P energy: -114.749
bonds (distance) P-C4' energy: -119.593
flat angles C4'-P-C4' energy: -129.408
flat angles P-C4'-P energy: -83.814
tors. eta vs tors. theta energy: -119.382
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: 7
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1443.229302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.229302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.229302 (E_RNA)
where:
Base-Base interactions energy: -914.836
where: short stacking energy: -429.254
Base-Backbone interact. energy: 0.206
local terms energy: -528.599313
where:
bonds (distance) C4'-P energy: -111.156
bonds (distance) P-C4' energy: -110.874
flat angles C4'-P-C4' energy: -122.237
flat angles P-C4'-P energy: -75.205
tors. eta vs tors. theta energy: -109.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1204.703024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.703024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.703024 (E_RNA)
where:
Base-Base interactions energy: -678.150
where: short stacking energy: -411.898
Base-Backbone interact. energy: -1.519
local terms energy: -525.033928
where:
bonds (distance) C4'-P energy: -102.934
bonds (distance) P-C4' energy: -118.256
flat angles C4'-P-C4' energy: -122.613
flat angles P-C4'-P energy: -67.113
tors. eta vs tors. theta energy: -114.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -1049.685363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.685363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.685363 (E_RNA)
where:
Base-Base interactions energy: -544.810
where: short stacking energy: -315.800
Base-Backbone interact. energy: -1.525
local terms energy: -503.349858
where:
bonds (distance) C4'-P energy: -121.115
bonds (distance) P-C4' energy: -123.024
flat angles C4'-P-C4' energy: -109.177
flat angles P-C4'-P energy: -73.075
tors. eta vs tors. theta energy: -76.958
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: 1
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -844.682549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.682549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.682549 (E_RNA)
where:
Base-Base interactions energy: -432.887
where: short stacking energy: -255.029
Base-Backbone interact. energy: -0.948
local terms energy: -410.847753
where:
bonds (distance) C4'-P energy: -107.724
bonds (distance) P-C4' energy: -111.932
flat angles C4'-P-C4' energy: -104.282
flat angles P-C4'-P energy: -55.231
tors. eta vs tors. theta energy: -31.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -770.804006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.804006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.804006 (E_RNA)
where:
Base-Base interactions energy: -357.547
where: short stacking energy: -248.124
Base-Backbone interact. energy: 5.862
local terms energy: -419.118911
where:
bonds (distance) C4'-P energy: -109.076
bonds (distance) P-C4' energy: -93.763
flat angles C4'-P-C4' energy: -103.972
flat angles P-C4'-P energy: -62.640
tors. eta vs tors. theta energy: -49.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -562.068276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.068276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.068276 (E_RNA)
where:
Base-Base interactions energy: -209.649
where: short stacking energy: -196.034
Base-Backbone interact. energy: -0.369
local terms energy: -352.049928
where:
bonds (distance) C4'-P energy: -88.199
bonds (distance) P-C4' energy: -97.270
flat angles C4'-P-C4' energy: -89.428
flat angles P-C4'-P energy: -50.891
tors. eta vs tors. theta energy: -26.261
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: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -612.055326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.055326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.055326 (E_RNA)
where:
Base-Base interactions energy: -267.093
where: short stacking energy: -190.110
Base-Backbone interact. energy: 0.209
local terms energy: -345.171014
where:
bonds (distance) C4'-P energy: -95.026
bonds (distance) P-C4' energy: -105.108
flat angles C4'-P-C4' energy: -87.773
flat angles P-C4'-P energy: -45.355
tors. eta vs tors. theta energy: -11.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -500.654688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.654688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.654688 (E_RNA)
where:
Base-Base interactions energy: -219.271
where: short stacking energy: -166.972
Base-Backbone interact. energy: 2.418
local terms energy: -283.801988
where:
bonds (distance) C4'-P energy: -91.038
bonds (distance) P-C4' energy: -104.140
flat angles C4'-P-C4' energy: -65.934
flat angles P-C4'-P energy: -50.834
tors. eta vs tors. theta energy: 28.145
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: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -449.406535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.406535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.406535 (E_RNA)
where:
Base-Base interactions energy: -151.569
where: short stacking energy: -123.386
Base-Backbone interact. energy: 4.964
local terms energy: -302.800935
where:
bonds (distance) C4'-P energy: -95.986
bonds (distance) P-C4' energy: -104.669
flat angles C4'-P-C4' energy: -65.353
flat angles P-C4'-P energy: -48.465
tors. eta vs tors. theta energy: 11.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1430.205207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.205207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.205207 (E_RNA)
where:
Base-Base interactions energy: -855.919
where: short stacking energy: -456.794
Base-Backbone interact. energy: -3.444
local terms energy: -570.842505
where:
bonds (distance) C4'-P energy: -106.947
bonds (distance) P-C4' energy: -125.029
flat angles C4'-P-C4' energy: -124.004
flat angles P-C4'-P energy: -99.711
tors. eta vs tors. theta energy: -115.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1452.714098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.714098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.714098 (E_RNA)
where:
Base-Base interactions energy: -911.948
where: short stacking energy: -458.282
Base-Backbone interact. energy: 0.450
local terms energy: -541.216229
where:
bonds (distance) C4'-P energy: -108.954
bonds (distance) P-C4' energy: -105.474
flat angles C4'-P-C4' energy: -126.644
flat angles P-C4'-P energy: -85.807
tors. eta vs tors. theta energy: -114.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -1306.441140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.441140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.441140 (E_RNA)
where:
Base-Base interactions energy: -764.451
where: short stacking energy: -445.771
Base-Backbone interact. energy: -0.618
local terms energy: -541.371404
where:
bonds (distance) C4'-P energy: -126.160
bonds (distance) P-C4' energy: -110.467
flat angles C4'-P-C4' energy: -118.455
flat angles P-C4'-P energy: -75.759
tors. eta vs tors. theta energy: -110.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1079.609273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.609273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.609273 (E_RNA)
where:
Base-Base interactions energy: -594.849
where: short stacking energy: -317.324
Base-Backbone interact. energy: -1.812
local terms energy: -482.948532
where:
bonds (distance) C4'-P energy: -107.951
bonds (distance) P-C4' energy: -116.637
flat angles C4'-P-C4' energy: -111.029
flat angles P-C4'-P energy: -79.152
tors. eta vs tors. theta energy: -68.179
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: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -942.569893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.569893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.569893 (E_RNA)
where:
Base-Base interactions energy: -511.999
where: short stacking energy: -262.118
Base-Backbone interact. energy: -3.514
local terms energy: -427.056503
where:
bonds (distance) C4'-P energy: -104.858
bonds (distance) P-C4' energy: -107.934
flat angles C4'-P-C4' energy: -112.075
flat angles P-C4'-P energy: -58.812
tors. eta vs tors. theta energy: -43.378
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: 3
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -789.893322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.893322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.893322 (E_RNA)
where:
Base-Base interactions energy: -388.986
where: short stacking energy: -252.019
Base-Backbone interact. energy: 1.011
local terms energy: -401.918175
where:
bonds (distance) C4'-P energy: -102.093
bonds (distance) P-C4' energy: -120.865
flat angles C4'-P-C4' energy: -93.742
flat angles P-C4'-P energy: -50.093
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: 7, replica: 6
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -642.525314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.525314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.525314 (E_RNA)
where:
Base-Base interactions energy: -288.691
where: short stacking energy: -199.738
Base-Backbone interact. energy: -0.157
local terms energy: -353.677627
where:
bonds (distance) C4'-P energy: -101.654
bonds (distance) P-C4' energy: -102.812
flat angles C4'-P-C4' energy: -101.571
flat angles P-C4'-P energy: -51.975
tors. eta vs tors. theta energy: 4.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -691.920184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.920184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.920184 (E_RNA)
where:
Base-Base interactions energy: -346.322
where: short stacking energy: -202.587
Base-Backbone interact. energy: -0.198
local terms energy: -345.399794
where:
bonds (distance) C4'-P energy: -88.363
bonds (distance) P-C4' energy: -124.321
flat angles C4'-P-C4' energy: -95.971
flat angles P-C4'-P energy: -38.200
tors. eta vs tors. theta energy: 1.455
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: 9, replica: 10
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -494.213975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.213975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.213975 (E_RNA)
where:
Base-Base interactions energy: -181.273
where: short stacking energy: -141.173
Base-Backbone interact. energy: -3.744
local terms energy: -309.197582
where:
bonds (distance) C4'-P energy: -86.226
bonds (distance) P-C4' energy: -99.487
flat angles C4'-P-C4' energy: -70.030
flat angles P-C4'-P energy: -56.543
tors. eta vs tors. theta energy: 3.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -444.036678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.036678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.036678 (E_RNA)
where:
Base-Base interactions energy: -141.775
where: short stacking energy: -123.573
Base-Backbone interact. energy: -0.637
local terms energy: -301.624675
where:
bonds (distance) C4'-P energy: -93.642
bonds (distance) P-C4' energy: -112.948
flat angles C4'-P-C4' energy: -77.477
flat angles P-C4'-P energy: -46.576
tors. eta vs tors. theta energy: 29.019
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: 7
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1558.174398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.174398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.174398 (E_RNA)
where:
Base-Base interactions energy: -992.515
where: short stacking energy: -448.732
Base-Backbone interact. energy: 1.976
local terms energy: -567.635103
where:
bonds (distance) C4'-P energy: -102.244
bonds (distance) P-C4' energy: -116.686
flat angles C4'-P-C4' energy: -127.130
flat angles P-C4'-P energy: -85.333
tors. eta vs tors. theta energy: -136.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1352.569083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.569083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.569083 (E_RNA)
where:
Base-Base interactions energy: -829.834
where: short stacking energy: -416.455
Base-Backbone interact. energy: -0.922
local terms energy: -521.813248
where:
bonds (distance) C4'-P energy: -124.035
bonds (distance) P-C4' energy: -112.080
flat angles C4'-P-C4' energy: -122.437
flat angles P-C4'-P energy: -68.115
tors. eta vs tors. theta energy: -95.145
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: 3, replica: 4
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1337.510522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.510522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.510522 (E_RNA)
where:
Base-Base interactions energy: -804.925
where: short stacking energy: -434.744
Base-Backbone interact. energy: -2.462
local terms energy: -530.123674
where:
bonds (distance) C4'-P energy: -103.830
bonds (distance) P-C4' energy: -108.477
flat angles C4'-P-C4' energy: -125.520
flat angles P-C4'-P energy: -85.427
tors. eta vs tors. theta energy: -106.870
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: 5
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -1131.395204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.395204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.395204 (E_RNA)
where:
Base-Base interactions energy: -662.197
where: short stacking energy: -342.045
Base-Backbone interact. energy: -1.050
local terms energy: -468.148924
where:
bonds (distance) C4'-P energy: -88.029
bonds (distance) P-C4' energy: -111.909
flat angles C4'-P-C4' energy: -123.500
flat angles P-C4'-P energy: -67.688
tors. eta vs tors. theta energy: -77.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -959.392871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.392871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.392871 (E_RNA)
where:
Base-Base interactions energy: -523.733
where: short stacking energy: -286.962
Base-Backbone interact. energy: -0.277
local terms energy: -435.383100
where:
bonds (distance) C4'-P energy: -94.026
bonds (distance) P-C4' energy: -115.319
flat angles C4'-P-C4' energy: -99.376
flat angles P-C4'-P energy: -77.441
tors. eta vs tors. theta energy: -49.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -760.118325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.118325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.118325 (E_RNA)
where:
Base-Base interactions energy: -366.490
where: short stacking energy: -214.589
Base-Backbone interact. energy: -3.065
local terms energy: -390.562743
where:
bonds (distance) C4'-P energy: -99.710
bonds (distance) P-C4' energy: -103.650
flat angles C4'-P-C4' energy: -98.269
flat angles P-C4'-P energy: -70.232
tors. eta vs tors. theta energy: -18.701
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: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -690.134929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.134929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.134929 (E_RNA)
where:
Base-Base interactions energy: -300.642
where: short stacking energy: -208.920
Base-Backbone interact. energy: -2.662
local terms energy: -386.831402
where:
bonds (distance) C4'-P energy: -102.146
bonds (distance) P-C4' energy: -119.645
flat angles C4'-P-C4' energy: -93.077
flat angles P-C4'-P energy: -55.685
tors. eta vs tors. theta energy: -16.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -685.175258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.175258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.175258 (E_RNA)
where:
Base-Base interactions energy: -306.934
where: short stacking energy: -203.803
Base-Backbone interact. energy: -0.480
local terms energy: -377.761534
where:
bonds (distance) C4'-P energy: -93.771
bonds (distance) P-C4' energy: -107.094
flat angles C4'-P-C4' energy: -96.455
flat angles P-C4'-P energy: -64.934
tors. eta vs tors. theta energy: -15.507
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: 9, replica: 9
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -495.826809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.826809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.826809 (E_RNA)
where:
Base-Base interactions energy: -181.316
where: short stacking energy: -143.405
Base-Backbone interact. energy: 4.813
local terms energy: -319.323399
where:
bonds (distance) C4'-P energy: -110.121
bonds (distance) P-C4' energy: -96.263
flat angles C4'-P-C4' energy: -78.710
flat angles P-C4'-P energy: -35.508
tors. eta vs tors. theta energy: 1.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -455.443383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.443383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.443383 (E_RNA)
where:
Base-Base interactions energy: -154.819
where: short stacking energy: -121.073
Base-Backbone interact. energy: 0.039
local terms energy: -300.663172
where:
bonds (distance) C4'-P energy: -87.296
bonds (distance) P-C4' energy: -101.267
flat angles C4'-P-C4' energy: -90.725
flat angles P-C4'-P energy: -30.133
tors. eta vs tors. theta energy: 8.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1575.585253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.585253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.585253 (E_RNA)
where:
Base-Base interactions energy: -1000.654
where: short stacking energy: -480.112
Base-Backbone interact. energy: -0.662
local terms energy: -574.268858
where:
bonds (distance) C4'-P energy: -115.347
bonds (distance) P-C4' energy: -118.244
flat angles C4'-P-C4' energy: -130.848
flat angles P-C4'-P energy: -76.645
tors. eta vs tors. theta energy: -133.184
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: 2
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1414.921713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.921713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.921713 (E_RNA)
where:
Base-Base interactions energy: -854.443
where: short stacking energy: -416.420
Base-Backbone interact. energy: -3.395
local terms energy: -557.083786
where:
bonds (distance) C4'-P energy: -119.576
bonds (distance) P-C4' energy: -130.913
flat angles C4'-P-C4' energy: -132.936
flat angles P-C4'-P energy: -64.564
tors. eta vs tors. theta energy: -109.095
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: 4
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1340.028349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.028349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.028349 (E_RNA)
where:
Base-Base interactions energy: -801.434
where: short stacking energy: -416.671
Base-Backbone interact. energy: -1.623
local terms energy: -536.971464
where:
bonds (distance) C4'-P energy: -116.340
bonds (distance) P-C4' energy: -110.096
flat angles C4'-P-C4' energy: -120.232
flat angles P-C4'-P energy: -87.918
tors. eta vs tors. theta energy: -102.385
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: 5
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1144.644385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.644385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.644385 (E_RNA)
where:
Base-Base interactions energy: -677.900
where: short stacking energy: -337.322
Base-Backbone interact. energy: -2.533
local terms energy: -464.211363
where:
bonds (distance) C4'-P energy: -109.566
bonds (distance) P-C4' energy: -113.299
flat angles C4'-P-C4' energy: -102.531
flat angles P-C4'-P energy: -72.927
tors. eta vs tors. theta energy: -65.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -1029.635507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.635507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.635507 (E_RNA)
where:
Base-Base interactions energy: -574.538
where: short stacking energy: -330.620
Base-Backbone interact. energy: 1.126
local terms energy: -456.223936
where:
bonds (distance) C4'-P energy: -92.448
bonds (distance) P-C4' energy: -112.066
flat angles C4'-P-C4' energy: -121.371
flat angles P-C4'-P energy: -70.122
tors. eta vs tors. theta energy: -60.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -846.159810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.159810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.159810 (E_RNA)
where:
Base-Base interactions energy: -437.905
where: short stacking energy: -259.491
Base-Backbone interact. energy: -1.848
local terms energy: -406.406258
where:
bonds (distance) C4'-P energy: -98.918
bonds (distance) P-C4' energy: -101.941
flat angles C4'-P-C4' energy: -113.081
flat angles P-C4'-P energy: -47.185
tors. eta vs tors. theta energy: -45.280
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: 15
Temperature: 1.200000
Total energy: -688.213793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.213793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.213793 (E_RNA)
where:
Base-Base interactions energy: -308.121
where: short stacking energy: -196.802
Base-Backbone interact. energy: -0.356
local terms energy: -379.736346
where:
bonds (distance) C4'-P energy: -103.339
bonds (distance) P-C4' energy: -101.675
flat angles C4'-P-C4' energy: -102.044
flat angles P-C4'-P energy: -60.819
tors. eta vs tors. theta energy: -11.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -628.514222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.514222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.514222 (E_RNA)
where:
Base-Base interactions energy: -294.637
where: short stacking energy: -190.876
Base-Backbone interact. energy: 0.856
local terms energy: -334.733243
where:
bonds (distance) C4'-P energy: -84.177
bonds (distance) P-C4' energy: -105.400
flat angles C4'-P-C4' energy: -86.494
flat angles P-C4'-P energy: -56.719
tors. eta vs tors. theta energy: -1.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -482.653022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.653022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.653022 (E_RNA)
where:
Base-Base interactions energy: -195.080
where: short stacking energy: -153.026
Base-Backbone interact. energy: 1.954
local terms energy: -289.527534
where:
bonds (distance) C4'-P energy: -80.043
bonds (distance) P-C4' energy: -105.645
flat angles C4'-P-C4' energy: -81.640
flat angles P-C4'-P energy: -43.409
tors. eta vs tors. theta energy: 21.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -446.652065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.652065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.652065 (E_RNA)
where:
Base-Base interactions energy: -143.115
where: short stacking energy: -106.915
Base-Backbone interact. energy: -1.643
local terms energy: -301.893931
where:
bonds (distance) C4'-P energy: -104.590
bonds (distance) P-C4' energy: -105.591
flat angles C4'-P-C4' energy: -73.228
flat angles P-C4'-P energy: -44.224
tors. eta vs tors. theta energy: 25.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1575.831130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.831130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.831130 (E_RNA)
where:
Base-Base interactions energy: -1033.260
where: short stacking energy: -501.087
Base-Backbone interact. energy: -0.592
local terms energy: -541.979455
where:
bonds (distance) C4'-P energy: -101.177
bonds (distance) P-C4' energy: -108.904
flat angles C4'-P-C4' energy: -130.032
flat angles P-C4'-P energy: -67.572
tors. eta vs tors. theta energy: -134.295
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: 16
Temperature: 0.950000
Total energy: -1445.322436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.322436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.322436 (E_RNA)
where:
Base-Base interactions energy: -904.513
where: short stacking energy: -449.807
Base-Backbone interact. energy: -4.250
local terms energy: -536.559195
where:
bonds (distance) C4'-P energy: -109.264
bonds (distance) P-C4' energy: -116.642
flat angles C4'-P-C4' energy: -126.276
flat angles P-C4'-P energy: -74.300
tors. eta vs tors. theta energy: -110.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1357.823313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.823313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.823313 (E_RNA)
where:
Base-Base interactions energy: -821.833
where: short stacking energy: -398.281
Base-Backbone interact. energy: -2.482
local terms energy: -533.508794
where:
bonds (distance) C4'-P energy: -121.901
bonds (distance) P-C4' energy: -118.631
flat angles C4'-P-C4' energy: -109.905
flat angles P-C4'-P energy: -70.949
tors. eta vs tors. theta energy: -112.122
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: 5
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1202.951572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.951572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.951572 (E_RNA)
where:
Base-Base interactions energy: -729.402
where: short stacking energy: -341.168
Base-Backbone interact. energy: -4.004
local terms energy: -469.544668
where:
bonds (distance) C4'-P energy: -119.500
bonds (distance) P-C4' energy: -116.300
flat angles C4'-P-C4' energy: -102.116
flat angles P-C4'-P energy: -60.328
tors. eta vs tors. theta energy: -71.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1074.515738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.515738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.515738 (E_RNA)
where:
Base-Base interactions energy: -627.808
where: short stacking energy: -299.238
Base-Backbone interact. energy: -0.764
local terms energy: -445.943795
where:
bonds (distance) C4'-P energy: -111.275
bonds (distance) P-C4' energy: -112.993
flat angles C4'-P-C4' energy: -107.350
flat angles P-C4'-P energy: -59.537
tors. eta vs tors. theta energy: -54.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -880.387932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.387932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.387932 (E_RNA)
where:
Base-Base interactions energy: -486.699
where: short stacking energy: -255.176
Base-Backbone interact. energy: -2.916
local terms energy: -390.773564
where:
bonds (distance) C4'-P energy: -98.161
bonds (distance) P-C4' energy: -119.168
flat angles C4'-P-C4' energy: -89.106
flat angles P-C4'-P energy: -64.610
tors. eta vs tors. theta energy: -19.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -668.038046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.038046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.038046 (E_RNA)
where:
Base-Base interactions energy: -300.607
where: short stacking energy: -193.642
Base-Backbone interact. energy: 0.362
local terms energy: -367.792736
where:
bonds (distance) C4'-P energy: -109.558
bonds (distance) P-C4' energy: -89.283
flat angles C4'-P-C4' energy: -100.108
flat angles P-C4'-P energy: -48.609
tors. eta vs tors. theta energy: -20.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -742.859610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.859610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.859610 (E_RNA)
where:
Base-Base interactions energy: -353.838
where: short stacking energy: -223.039
Base-Backbone interact. energy: -1.016
local terms energy: -388.005267
where:
bonds (distance) C4'-P energy: -76.405
bonds (distance) P-C4' energy: -110.547
flat angles C4'-P-C4' energy: -105.397
flat angles P-C4'-P energy: -62.930
tors. eta vs tors. theta energy: -32.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -516.682084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.682084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.682084 (E_RNA)
where:
Base-Base interactions energy: -186.458
where: short stacking energy: -149.104
Base-Backbone interact. energy: 0.036
local terms energy: -330.259896
where:
bonds (distance) C4'-P energy: -85.593
bonds (distance) P-C4' energy: -94.305
flat angles C4'-P-C4' energy: -91.381
flat angles P-C4'-P energy: -75.547
tors. eta vs tors. theta energy: 16.566
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: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -479.483695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.483695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.483695 (E_RNA)
where:
Base-Base interactions energy: -165.221
where: short stacking energy: -125.823
Base-Backbone interact. energy: -1.300
local terms energy: -312.962093
where:
bonds (distance) C4'-P energy: -89.375
bonds (distance) P-C4' energy: -92.523
flat angles C4'-P-C4' energy: -81.601
flat angles P-C4'-P energy: -56.893
tors. eta vs tors. theta energy: 7.429
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: 7
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1575.745039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.745039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.745039 (E_RNA)
where:
Base-Base interactions energy: -994.718
where: short stacking energy: -463.260
Base-Backbone interact. energy: -0.294
local terms energy: -580.733490
where:
bonds (distance) C4'-P energy: -118.859
bonds (distance) P-C4' energy: -119.273
flat angles C4'-P-C4' energy: -128.030
flat angles P-C4'-P energy: -82.368
tors. eta vs tors. theta energy: -132.203
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: 2
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1466.028674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.028674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.028674 (E_RNA)
where:
Base-Base interactions energy: -911.836
where: short stacking energy: -425.684
Base-Backbone interact. energy: -2.688
local terms energy: -551.503927
where:
bonds (distance) C4'-P energy: -112.457
bonds (distance) P-C4' energy: -123.060
flat angles C4'-P-C4' energy: -125.847
flat angles P-C4'-P energy: -67.993
tors. eta vs tors. theta energy: -122.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1291.753062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.753062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.753062 (E_RNA)
where:
Base-Base interactions energy: -758.394
where: short stacking energy: -400.744
Base-Backbone interact. energy: -2.743
local terms energy: -530.616250
where:
bonds (distance) C4'-P energy: -115.587
bonds (distance) P-C4' energy: -112.180
flat angles C4'-P-C4' energy: -115.601
flat angles P-C4'-P energy: -67.595
tors. eta vs tors. theta energy: -119.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1204.828332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.828332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.828332 (E_RNA)
where:
Base-Base interactions energy: -719.189
where: short stacking energy: -374.296
Base-Backbone interact. energy: -0.759
local terms energy: -484.880281
where:
bonds (distance) C4'-P energy: -101.434
bonds (distance) P-C4' energy: -112.350
flat angles C4'-P-C4' energy: -109.315
flat angles P-C4'-P energy: -71.905
tors. eta vs tors. theta energy: -89.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1089.747389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.747389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.747389 (E_RNA)
where:
Base-Base interactions energy: -663.993
where: short stacking energy: -292.877
Base-Backbone interact. energy: 1.389
local terms energy: -427.143433
where:
bonds (distance) C4'-P energy: -110.726
bonds (distance) P-C4' energy: -104.699
flat angles C4'-P-C4' energy: -104.457
flat angles P-C4'-P energy: -67.229
tors. eta vs tors. theta energy: -40.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -908.923161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.923161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.923161 (E_RNA)
where:
Base-Base interactions energy: -510.141
where: short stacking energy: -287.477
Base-Backbone interact. energy: 0.830
local terms energy: -399.611647
where:
bonds (distance) C4'-P energy: -90.269
bonds (distance) P-C4' energy: -103.601
flat angles C4'-P-C4' energy: -106.847
flat angles P-C4'-P energy: -58.892
tors. eta vs tors. theta energy: -40.002
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: 8
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -741.268365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.268365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.268365 (E_RNA)
where:
Base-Base interactions energy: -358.445
where: short stacking energy: -232.760
Base-Backbone interact. energy: -2.433
local terms energy: -380.390049
where:
bonds (distance) C4'-P energy: -99.650
bonds (distance) P-C4' energy: -111.090
flat angles C4'-P-C4' energy: -105.974
flat angles P-C4'-P energy: -55.168
tors. eta vs tors. theta energy: -8.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -765.158365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.158365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.158365 (E_RNA)
where:
Base-Base interactions energy: -398.893
where: short stacking energy: -207.240
Base-Backbone interact. energy: 1.538
local terms energy: -367.803610
where:
bonds (distance) C4'-P energy: -107.832
bonds (distance) P-C4' energy: -93.785
flat angles C4'-P-C4' energy: -95.924
flat angles P-C4'-P energy: -57.256
tors. eta vs tors. theta energy: -13.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -536.356902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.356902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.356902 (E_RNA)
where:
Base-Base interactions energy: -219.758
where: short stacking energy: -167.661
Base-Backbone interact. energy: -0.060
local terms energy: -316.538261
where:
bonds (distance) C4'-P energy: -85.693
bonds (distance) P-C4' energy: -106.527
flat angles C4'-P-C4' energy: -86.799
flat angles P-C4'-P energy: -49.633
tors. eta vs tors. theta energy: 12.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -454.918894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.918894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.918894 (E_RNA)
where:
Base-Base interactions energy: -157.051
where: short stacking energy: -113.354
Base-Backbone interact. energy: 5.446
local terms energy: -303.314272
where:
bonds (distance) C4'-P energy: -91.137
bonds (distance) P-C4' energy: -92.995
flat angles C4'-P-C4' energy: -81.948
flat angles P-C4'-P energy: -52.974
tors. eta vs tors. theta energy: 15.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1618.071433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.071433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.071433 (E_RNA)
where:
Base-Base interactions energy: -1021.678
where: short stacking energy: -495.213
Base-Backbone interact. energy: -1.175
local terms energy: -595.218909
where:
bonds (distance) C4'-P energy: -110.885
bonds (distance) P-C4' energy: -128.068
flat angles C4'-P-C4' energy: -136.363
flat angles P-C4'-P energy: -89.552
tors. eta vs tors. theta energy: -130.352
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: 2
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1463.458079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.458079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.458079 (E_RNA)
where:
Base-Base interactions energy: -912.594
where: short stacking energy: -454.585
Base-Backbone interact. energy: -2.505
local terms energy: -548.358591
where:
bonds (distance) C4'-P energy: -110.339
bonds (distance) P-C4' energy: -111.597
flat angles C4'-P-C4' energy: -119.978
flat angles P-C4'-P energy: -77.912
tors. eta vs tors. theta energy: -128.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1319.518647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.518647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.518647 (E_RNA)
where:
Base-Base interactions energy: -785.997
where: short stacking energy: -397.505
Base-Backbone interact. energy: 0.590
local terms energy: -534.111460
where:
bonds (distance) C4'-P energy: -101.382
bonds (distance) P-C4' energy: -131.419
flat angles C4'-P-C4' energy: -118.730
flat angles P-C4'-P energy: -82.851
tors. eta vs tors. theta energy: -99.728
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: 5
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1205.851624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.851624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.851624 (E_RNA)
where:
Base-Base interactions energy: -715.086
where: short stacking energy: -353.796
Base-Backbone interact. energy: -2.547
local terms energy: -488.219172
where:
bonds (distance) C4'-P energy: -115.882
bonds (distance) P-C4' energy: -114.882
flat angles C4'-P-C4' energy: -104.447
flat angles P-C4'-P energy: -78.370
tors. eta vs tors. theta energy: -74.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1179.351241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.351241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.351241 (E_RNA)
where:
Base-Base interactions energy: -692.735
where: short stacking energy: -340.849
Base-Backbone interact. energy: -1.746
local terms energy: -484.870747
where:
bonds (distance) C4'-P energy: -106.938
bonds (distance) P-C4' energy: -108.552
flat angles C4'-P-C4' energy: -119.527
flat angles P-C4'-P energy: -68.320
tors. eta vs tors. theta energy: -81.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -937.699503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.699503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.699503 (E_RNA)
where:
Base-Base interactions energy: -529.183
where: short stacking energy: -282.263
Base-Backbone interact. energy: -0.276
local terms energy: -408.241438
where:
bonds (distance) C4'-P energy: -119.238
bonds (distance) P-C4' energy: -105.117
flat angles C4'-P-C4' energy: -99.405
flat angles P-C4'-P energy: -48.673
tors. eta vs tors. theta energy: -35.808
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: 6
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -949.897042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.897042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.897042 (E_RNA)
where:
Base-Base interactions energy: -552.326
where: short stacking energy: -266.954
Base-Backbone interact. energy: 1.284
local terms energy: -398.855264
where:
bonds (distance) C4'-P energy: -92.798
bonds (distance) P-C4' energy: -105.373
flat angles C4'-P-C4' energy: -82.045
flat angles P-C4'-P energy: -67.476
tors. eta vs tors. theta energy: -51.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -738.890165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.890165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.890165 (E_RNA)
where:
Base-Base interactions energy: -359.340
where: short stacking energy: -205.603
Base-Backbone interact. energy: -1.458
local terms energy: -378.092393
where:
bonds (distance) C4'-P energy: -78.376
bonds (distance) P-C4' energy: -99.961
flat angles C4'-P-C4' energy: -108.381
flat angles P-C4'-P energy: -63.128
tors. eta vs tors. theta energy: -28.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -525.384130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.384130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.384130 (E_RNA)
where:
Base-Base interactions energy: -221.482
where: short stacking energy: -157.001
Base-Backbone interact. energy: 6.205
local terms energy: -310.107024
where:
bonds (distance) C4'-P energy: -91.761
bonds (distance) P-C4' energy: -88.192
flat angles C4'-P-C4' energy: -94.985
flat angles P-C4'-P energy: -34.210
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: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -534.475735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.475735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.475735 (E_RNA)
where:
Base-Base interactions energy: -229.546
where: short stacking energy: -113.539
Base-Backbone interact. energy: 2.981
local terms energy: -307.910198
where:
bonds (distance) C4'-P energy: -97.125
bonds (distance) P-C4' energy: -111.853
flat angles C4'-P-C4' energy: -78.079
flat angles P-C4'-P energy: -41.872
tors. eta vs tors. theta energy: 21.019
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: 7
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1577.073824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.073824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.073824 (E_RNA)
where:
Base-Base interactions energy: -992.628
where: short stacking energy: -467.028
Base-Backbone interact. energy: -0.533
local terms energy: -583.912267
where:
bonds (distance) C4'-P energy: -117.798
bonds (distance) P-C4' energy: -127.322
flat angles C4'-P-C4' energy: -131.002
flat angles P-C4'-P energy: -82.703
tors. eta vs tors. theta energy: -125.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1415.645341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.645341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.645341 (E_RNA)
where:
Base-Base interactions energy: -895.682
where: short stacking energy: -458.752
Base-Backbone interact. energy: 2.259
local terms energy: -522.221688
where:
bonds (distance) C4'-P energy: -103.294
bonds (distance) P-C4' energy: -106.591
flat angles C4'-P-C4' energy: -111.562
flat angles P-C4'-P energy: -80.832
tors. eta vs tors. theta energy: -119.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1401.177251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.177251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.177251 (E_RNA)
where:
Base-Base interactions energy: -864.591
where: short stacking energy: -431.369
Base-Backbone interact. energy: -0.521
local terms energy: -536.064984
where:
bonds (distance) C4'-P energy: -108.225
bonds (distance) P-C4' energy: -105.938
flat angles C4'-P-C4' energy: -125.320
flat angles P-C4'-P energy: -74.873
tors. eta vs tors. theta energy: -121.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1240.154072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.154072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.154072 (E_RNA)
where:
Base-Base interactions energy: -739.534
where: short stacking energy: -374.509
Base-Backbone interact. energy: -3.934
local terms energy: -496.686294
where:
bonds (distance) C4'-P energy: -112.234
bonds (distance) P-C4' energy: -97.114
flat angles C4'-P-C4' energy: -124.577
flat angles P-C4'-P energy: -74.014
tors. eta vs tors. theta energy: -88.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1175.596751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.596751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.596751 (E_RNA)
where:
Base-Base interactions energy: -703.842
where: short stacking energy: -323.523
Base-Backbone interact. energy: -2.467
local terms energy: -469.288029
where:
bonds (distance) C4'-P energy: -113.322
bonds (distance) P-C4' energy: -108.280
flat angles C4'-P-C4' energy: -117.430
flat angles P-C4'-P energy: -60.213
tors. eta vs tors. theta energy: -70.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -1025.306691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.306691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.306691 (E_RNA)
where:
Base-Base interactions energy: -643.726
where: short stacking energy: -308.007
Base-Backbone interact. energy: -2.709
local terms energy: -378.872014
where:
bonds (distance) C4'-P energy: -93.342
bonds (distance) P-C4' energy: -90.778
flat angles C4'-P-C4' energy: -96.891
flat angles P-C4'-P energy: -57.910
tors. eta vs tors. theta energy: -39.951
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: 7, replica: 3
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -883.676114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.676114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.676114 (E_RNA)
where:
Base-Base interactions energy: -481.607
where: short stacking energy: -251.697
Base-Backbone interact. energy: -1.169
local terms energy: -400.899737
where:
bonds (distance) C4'-P energy: -85.670
bonds (distance) P-C4' energy: -116.527
flat angles C4'-P-C4' energy: -91.262
flat angles P-C4'-P energy: -67.943
tors. eta vs tors. theta energy: -39.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -681.462970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.462970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.462970 (E_RNA)
where:
Base-Base interactions energy: -323.575
where: short stacking energy: -179.319
Base-Backbone interact. energy: -1.609
local terms energy: -356.278346
where:
bonds (distance) C4'-P energy: -98.074
bonds (distance) P-C4' energy: -107.146
flat angles C4'-P-C4' energy: -88.156
flat angles P-C4'-P energy: -64.576
tors. eta vs tors. theta energy: 1.674
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: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -487.054437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.054437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.054437 (E_RNA)
where:
Base-Base interactions energy: -172.223
where: short stacking energy: -136.760
Base-Backbone interact. energy: 1.805
local terms energy: -316.636036
where:
bonds (distance) C4'-P energy: -102.093
bonds (distance) P-C4' energy: -100.827
flat angles C4'-P-C4' energy: -73.252
flat angles P-C4'-P energy: -58.981
tors. eta vs tors. theta energy: 18.517
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: 19
Temperature: 1.350000
Total energy: -603.503017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.503017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.503017 (E_RNA)
where:
Base-Base interactions energy: -299.718
where: short stacking energy: -171.593
Base-Backbone interact. energy: -1.586
local terms energy: -302.199129
where:
bonds (distance) C4'-P energy: -80.900
bonds (distance) P-C4' energy: -107.086
flat angles C4'-P-C4' energy: -80.766
flat angles P-C4'-P energy: -44.804
tors. eta vs tors. theta energy: 11.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1600.525861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.525861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.525861 (E_RNA)
where:
Base-Base interactions energy: -1024.656
where: short stacking energy: -462.374
Base-Backbone interact. energy: -2.247
local terms energy: -573.622721
where:
bonds (distance) C4'-P energy: -124.615
bonds (distance) P-C4' energy: -123.098
flat angles C4'-P-C4' energy: -124.831
flat angles P-C4'-P energy: -87.858
tors. eta vs tors. theta energy: -113.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1487.740746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.740746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.740746 (E_RNA)
where:
Base-Base interactions energy: -951.129
where: short stacking energy: -478.961
Base-Backbone interact. energy: -0.742
local terms energy: -535.869711
where:
bonds (distance) C4'-P energy: -114.054
bonds (distance) P-C4' energy: -107.048
flat angles C4'-P-C4' energy: -114.154
flat angles P-C4'-P energy: -68.614
tors. eta vs tors. theta energy: -132.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1386.080161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.080161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.080161 (E_RNA)
where:
Base-Base interactions energy: -870.539
where: short stacking energy: -435.002
Base-Backbone interact. energy: -2.200
local terms energy: -513.341220
where:
bonds (distance) C4'-P energy: -114.859
bonds (distance) P-C4' energy: -107.104
flat angles C4'-P-C4' energy: -109.565
flat angles P-C4'-P energy: -74.084
tors. eta vs tors. theta energy: -107.730
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: 1
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1293.197150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.197150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.197150 (E_RNA)
where:
Base-Base interactions energy: -771.242
where: short stacking energy: -369.834
Base-Backbone interact. energy: 1.283
local terms energy: -523.237740
where:
bonds (distance) C4'-P energy: -116.641
bonds (distance) P-C4' energy: -112.716
flat angles C4'-P-C4' energy: -116.040
flat angles P-C4'-P energy: -74.244
tors. eta vs tors. theta energy: -103.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1147.329684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.329684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.329684 (E_RNA)
where:
Base-Base interactions energy: -668.061
where: short stacking energy: -349.535
Base-Backbone interact. energy: 1.511
local terms energy: -480.779445
where:
bonds (distance) C4'-P energy: -99.448
bonds (distance) P-C4' energy: -112.543
flat angles C4'-P-C4' energy: -117.330
flat angles P-C4'-P energy: -73.120
tors. eta vs tors. theta energy: -78.338
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: 6
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -1012.886245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.886245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.886245 (E_RNA)
where:
Base-Base interactions energy: -564.734
where: short stacking energy: -277.966
Base-Backbone interact. energy: -1.059
local terms energy: -447.093153
where:
bonds (distance) C4'-P energy: -100.127
bonds (distance) P-C4' energy: -112.754
flat angles C4'-P-C4' energy: -107.996
flat angles P-C4'-P energy: -77.556
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: 7, replica: 3
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -914.106531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.106531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.106531 (E_RNA)
where:
Base-Base interactions energy: -506.689
where: short stacking energy: -254.023
Base-Backbone interact. energy: -1.331
local terms energy: -406.086846
where:
bonds (distance) C4'-P energy: -111.241
bonds (distance) P-C4' energy: -93.230
flat angles C4'-P-C4' energy: -110.675
flat angles P-C4'-P energy: -49.364
tors. eta vs tors. theta energy: -41.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -671.519733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.519733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.519733 (E_RNA)
where:
Base-Base interactions energy: -312.729
where: short stacking energy: -177.555
Base-Backbone interact. energy: -0.503
local terms energy: -358.288105
where:
bonds (distance) C4'-P energy: -93.982
bonds (distance) P-C4' energy: -96.235
flat angles C4'-P-C4' energy: -94.502
flat angles P-C4'-P energy: -69.129
tors. eta vs tors. theta energy: -4.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -613.553756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.553756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.553756 (E_RNA)
where:
Base-Base interactions energy: -306.232
where: short stacking energy: -191.748
Base-Backbone interact. energy: 2.473
local terms energy: -309.794239
where:
bonds (distance) C4'-P energy: -71.423
bonds (distance) P-C4' energy: -91.805
flat angles C4'-P-C4' energy: -92.442
flat angles P-C4'-P energy: -55.815
tors. eta vs tors. theta energy: 1.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -463.566589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.566589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.566589 (E_RNA)
where:
Base-Base interactions energy: -159.988
where: short stacking energy: -125.685
Base-Backbone interact. energy: 1.309
local terms energy: -304.887809
where:
bonds (distance) C4'-P energy: -88.908
bonds (distance) P-C4' energy: -106.087
flat angles C4'-P-C4' energy: -72.611
flat angles P-C4'-P energy: -59.467
tors. eta vs tors. theta energy: 22.184
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: 1, replica: 7
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1618.175343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.175343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.175343 (E_RNA)
where:
Base-Base interactions energy: -1072.331
where: short stacking energy: -488.241
Base-Backbone interact. energy: 3.251
local terms energy: -549.094734
where:
bonds (distance) C4'-P energy: -109.186
bonds (distance) P-C4' energy: -114.413
flat angles C4'-P-C4' energy: -122.125
flat angles P-C4'-P energy: -90.339
tors. eta vs tors. theta energy: -113.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1501.207029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.207029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.207029 (E_RNA)
where:
Base-Base interactions energy: -963.864
where: short stacking energy: -427.443
Base-Backbone interact. energy: 4.572
local terms energy: -541.914398
where:
bonds (distance) C4'-P energy: -114.495
bonds (distance) P-C4' energy: -121.496
flat angles C4'-P-C4' energy: -119.661
flat angles P-C4'-P energy: -85.815
tors. eta vs tors. theta energy: -100.448
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: 3, replica: 4
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1409.058093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.058093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.058093 (E_RNA)
where:
Base-Base interactions energy: -886.576
where: short stacking energy: -419.051
Base-Backbone interact. energy: -2.323
local terms energy: -520.158496
where:
bonds (distance) C4'-P energy: -108.115
bonds (distance) P-C4' energy: -114.516
flat angles C4'-P-C4' energy: -126.472
flat angles P-C4'-P energy: -69.669
tors. eta vs tors. theta energy: -101.386
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: 4, replica: 1
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1304.657500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.657500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.657500 (E_RNA)
where:
Base-Base interactions energy: -830.415
where: short stacking energy: -409.993
Base-Backbone interact. energy: -1.625
local terms energy: -472.617024
where:
bonds (distance) C4'-P energy: -95.954
bonds (distance) P-C4' energy: -106.535
flat angles C4'-P-C4' energy: -104.018
flat angles P-C4'-P energy: -70.124
tors. eta vs tors. theta energy: -95.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1090.108409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.108409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.108409 (E_RNA)
where:
Base-Base interactions energy: -661.350
where: short stacking energy: -319.392
Base-Backbone interact. energy: -2.133
local terms energy: -426.624633
where:
bonds (distance) C4'-P energy: -109.790
bonds (distance) P-C4' energy: -92.735
flat angles C4'-P-C4' energy: -113.104
flat angles P-C4'-P energy: -48.981
tors. eta vs tors. theta energy: -62.014
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: 6
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -1063.511831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.511831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.511831 (E_RNA)
where:
Base-Base interactions energy: -625.113
where: short stacking energy: -301.713
Base-Backbone interact. energy: -1.339
local terms energy: -437.060127
where:
bonds (distance) C4'-P energy: -98.516
bonds (distance) P-C4' energy: -107.575
flat angles C4'-P-C4' energy: -105.182
flat angles P-C4'-P energy: -66.332
tors. eta vs tors. theta energy: -59.455
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: 3
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -921.105013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.105013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.105013 (E_RNA)
where:
Base-Base interactions energy: -525.229
where: short stacking energy: -275.614
Base-Backbone interact. energy: -0.233
local terms energy: -395.642533
where:
bonds (distance) C4'-P energy: -82.315
bonds (distance) P-C4' energy: -112.807
flat angles C4'-P-C4' energy: -76.592
flat angles P-C4'-P energy: -80.459
tors. eta vs tors. theta energy: -43.469
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: 8, replica: 10
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -677.273286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.273286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.273286 (E_RNA)
where:
Base-Base interactions energy: -334.702
where: short stacking energy: -198.883
Base-Backbone interact. energy: 0.479
local terms energy: -343.050682
where:
bonds (distance) C4'-P energy: -74.116
bonds (distance) P-C4' energy: -96.873
flat angles C4'-P-C4' energy: -95.172
flat angles P-C4'-P energy: -57.966
tors. eta vs tors. theta energy: -18.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -617.337469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.337469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.337469 (E_RNA)
where:
Base-Base interactions energy: -282.017
where: short stacking energy: -157.846
Base-Backbone interact. energy: 4.035
local terms energy: -339.355440
where:
bonds (distance) C4'-P energy: -92.220
bonds (distance) P-C4' energy: -106.643
flat angles C4'-P-C4' energy: -88.511
flat angles P-C4'-P energy: -53.195
tors. eta vs tors. theta energy: 1.213
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: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -464.538089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.538089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.538089 (E_RNA)
where:
Base-Base interactions energy: -177.577
where: short stacking energy: -122.211
Base-Backbone interact. energy: -2.648
local terms energy: -284.312502
where:
bonds (distance) C4'-P energy: -104.562
bonds (distance) P-C4' energy: -77.347
flat angles C4'-P-C4' energy: -76.753
flat angles P-C4'-P energy: -60.191
tors. eta vs tors. theta energy: 34.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1678.599762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.599762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.599762 (E_RNA)
where:
Base-Base interactions energy: -1118.976
where: short stacking energy: -503.344
Base-Backbone interact. energy: 0.395
local terms energy: -560.018898
where:
bonds (distance) C4'-P energy: -100.735
bonds (distance) P-C4' energy: -117.558
flat angles C4'-P-C4' energy: -124.864
flat angles P-C4'-P energy: -88.812
tors. eta vs tors. theta energy: -128.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1513.837600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.837600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.837600 (E_RNA)
where:
Base-Base interactions energy: -941.830
where: short stacking energy: -471.372
Base-Backbone interact. energy: -1.803
local terms energy: -570.204596
where:
bonds (distance) C4'-P energy: -111.422
bonds (distance) P-C4' energy: -136.476
flat angles C4'-P-C4' energy: -117.698
flat angles P-C4'-P energy: -71.380
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: 3, replica: 4
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1458.625134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.625134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.625134 (E_RNA)
where:
Base-Base interactions energy: -940.655
where: short stacking energy: -450.053
Base-Backbone interact. energy: -1.625
local terms energy: -516.346049
where:
bonds (distance) C4'-P energy: -100.356
bonds (distance) P-C4' energy: -116.563
flat angles C4'-P-C4' energy: -113.960
flat angles P-C4'-P energy: -72.347
tors. eta vs tors. theta energy: -113.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1248.257124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.257124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.257124 (E_RNA)
where:
Base-Base interactions energy: -765.651
where: short stacking energy: -339.216
Base-Backbone interact. energy: -0.891
local terms energy: -481.715416
where:
bonds (distance) C4'-P energy: -103.623
bonds (distance) P-C4' energy: -105.713
flat angles C4'-P-C4' energy: -114.058
flat angles P-C4'-P energy: -79.172
tors. eta vs tors. theta energy: -79.148
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: 5
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1059.789369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.789369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.789369 (E_RNA)
where:
Base-Base interactions energy: -639.212
where: short stacking energy: -301.065
Base-Backbone interact. energy: -2.729
local terms energy: -417.848851
where:
bonds (distance) C4'-P energy: -98.288
bonds (distance) P-C4' energy: -104.007
flat angles C4'-P-C4' energy: -90.052
flat angles P-C4'-P energy: -72.982
tors. eta vs tors. theta energy: -52.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -1007.669012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.669012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.669012 (E_RNA)
where:
Base-Base interactions energy: -584.202
where: short stacking energy: -286.114
Base-Backbone interact. energy: 1.337
local terms energy: -424.804086
where:
bonds (distance) C4'-P energy: -111.051
bonds (distance) P-C4' energy: -110.988
flat angles C4'-P-C4' energy: -102.611
flat angles P-C4'-P energy: -54.145
tors. eta vs tors. theta energy: -46.009
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: 3
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -927.429121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.429121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.429121 (E_RNA)
where:
Base-Base interactions energy: -511.569
where: short stacking energy: -239.507
Base-Backbone interact. energy: -1.120
local terms energy: -414.739861
where:
bonds (distance) C4'-P energy: -119.794
bonds (distance) P-C4' energy: -104.571
flat angles C4'-P-C4' energy: -89.463
flat angles P-C4'-P energy: -73.786
tors. eta vs tors. theta energy: -27.126
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: 8, replica: 10
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -690.706302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.706302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.706302 (E_RNA)
where:
Base-Base interactions energy: -351.897
where: short stacking energy: -189.763
Base-Backbone interact. energy: 2.081
local terms energy: -340.889702
where:
bonds (distance) C4'-P energy: -103.285
bonds (distance) P-C4' energy: -87.142
flat angles C4'-P-C4' energy: -93.319
flat angles P-C4'-P energy: -52.536
tors. eta vs tors. theta energy: -4.607
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: 8
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -627.033982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.033982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.033982 (E_RNA)
where:
Base-Base interactions energy: -298.575
where: short stacking energy: -175.361
Base-Backbone interact. energy: 0.900
local terms energy: -329.358877
where:
bonds (distance) C4'-P energy: -103.825
bonds (distance) P-C4' energy: -101.336
flat angles C4'-P-C4' energy: -80.311
flat angles P-C4'-P energy: -45.260
tors. eta vs tors. theta energy: 1.374
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: 10, replica: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -431.979397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.979397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.979397 (E_RNA)
where:
Base-Base interactions energy: -139.093
where: short stacking energy: -102.270
Base-Backbone interact. energy: 1.971
local terms energy: -294.858008
where:
bonds (distance) C4'-P energy: -92.887
bonds (distance) P-C4' energy: -111.039
flat angles C4'-P-C4' energy: -82.211
flat angles P-C4'-P energy: -39.550
tors. eta vs tors. theta energy: 30.828
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: 1, replica: 7
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1714.978183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.978183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.978183 (E_RNA)
where:
Base-Base interactions energy: -1166.018
where: short stacking energy: -491.795
Base-Backbone interact. energy: -0.961
local terms energy: -547.999553
where:
bonds (distance) C4'-P energy: -103.989
bonds (distance) P-C4' energy: -115.960
flat angles C4'-P-C4' energy: -122.008
flat angles P-C4'-P energy: -75.167
tors. eta vs tors. theta energy: -130.876
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: 2, replica: 2
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1532.668430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.668430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.668430 (E_RNA)
where:
Base-Base interactions energy: -945.859
where: short stacking energy: -482.794
Base-Backbone interact. energy: 0.535
local terms energy: -587.343946
where:
bonds (distance) C4'-P energy: -120.794
bonds (distance) P-C4' energy: -126.788
flat angles C4'-P-C4' energy: -126.862
flat angles P-C4'-P energy: -68.800
tors. eta vs tors. theta energy: -144.101
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: 4
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1479.691451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.691451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.691451 (E_RNA)
where:
Base-Base interactions energy: -952.377
where: short stacking energy: -448.283
Base-Backbone interact. energy: -2.603
local terms energy: -524.711316
where:
bonds (distance) C4'-P energy: -102.529
bonds (distance) P-C4' energy: -118.687
flat angles C4'-P-C4' energy: -120.207
flat angles P-C4'-P energy: -69.657
tors. eta vs tors. theta energy: -113.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1284.155444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.155444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.155444 (E_RNA)
where:
Base-Base interactions energy: -809.083
where: short stacking energy: -410.084
Base-Backbone interact. energy: -1.675
local terms energy: -473.397032
where:
bonds (distance) C4'-P energy: -101.609
bonds (distance) P-C4' energy: -117.632
flat angles C4'-P-C4' energy: -99.480
flat angles P-C4'-P energy: -58.190
tors. eta vs tors. theta energy: -96.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1121.768231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.768231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.768231 (E_RNA)
where:
Base-Base interactions energy: -657.784
where: short stacking energy: -318.381
Base-Backbone interact. energy: -1.786
local terms energy: -462.197689
where:
bonds (distance) C4'-P energy: -106.845
bonds (distance) P-C4' energy: -111.814
flat angles C4'-P-C4' energy: -113.577
flat angles P-C4'-P energy: -61.772
tors. eta vs tors. theta energy: -68.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -1024.403547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.403547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.403547 (E_RNA)
where:
Base-Base interactions energy: -616.008
where: short stacking energy: -283.107
Base-Backbone interact. energy: -3.154
local terms energy: -405.241454
where:
bonds (distance) C4'-P energy: -111.493
bonds (distance) P-C4' energy: -103.371
flat angles C4'-P-C4' energy: -104.996
flat angles P-C4'-P energy: -39.217
tors. eta vs tors. theta energy: -46.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -939.580900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.580900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.580900 (E_RNA)
where:
Base-Base interactions energy: -537.159
where: short stacking energy: -290.157
Base-Backbone interact. energy: -0.467
local terms energy: -401.954782
where:
bonds (distance) C4'-P energy: -100.185
bonds (distance) P-C4' energy: -104.391
flat angles C4'-P-C4' energy: -97.127
flat angles P-C4'-P energy: -60.830
tors. eta vs tors. theta energy: -39.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -728.465389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.465389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.465389 (E_RNA)
where:
Base-Base interactions energy: -371.462
where: short stacking energy: -216.308
Base-Backbone interact. energy: 2.783
local terms energy: -359.786471
where:
bonds (distance) C4'-P energy: -83.758
bonds (distance) P-C4' energy: -94.284
flat angles C4'-P-C4' energy: -105.799
flat angles P-C4'-P energy: -58.917
tors. eta vs tors. theta energy: -17.029
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: 9, replica: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -585.721625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.721625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.721625 (E_RNA)
where:
Base-Base interactions energy: -259.448
where: short stacking energy: -151.782
Base-Backbone interact. energy: 9.063
local terms energy: -335.337199
where:
bonds (distance) C4'-P energy: -97.613
bonds (distance) P-C4' energy: -98.167
flat angles C4'-P-C4' energy: -79.874
flat angles P-C4'-P energy: -59.661
tors. eta vs tors. theta energy: -0.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -483.241218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.241218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.241218 (E_RNA)
where:
Base-Base interactions energy: -173.667
where: short stacking energy: -113.531
Base-Backbone interact. energy: 3.691
local terms energy: -313.265540
where:
bonds (distance) C4'-P energy: -99.065
bonds (distance) P-C4' energy: -95.062
flat angles C4'-P-C4' energy: -79.717
flat angles P-C4'-P energy: -56.133
tors. eta vs tors. theta energy: 16.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1737.780533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.780533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.780533 (E_RNA)
where:
Base-Base interactions energy: -1145.293
where: short stacking energy: -514.221
Base-Backbone interact. energy: 0.653
local terms energy: -593.139814
where:
bonds (distance) C4'-P energy: -127.978
bonds (distance) P-C4' energy: -110.138
flat angles C4'-P-C4' energy: -133.013
flat angles P-C4'-P energy: -77.384
tors. eta vs tors. theta energy: -144.627
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: 2, replica: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1510.659113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.659113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.659113 (E_RNA)
where:
Base-Base interactions energy: -971.723
where: short stacking energy: -469.672
Base-Backbone interact. energy: -2.731
local terms energy: -536.204345
where:
bonds (distance) C4'-P energy: -120.955
bonds (distance) P-C4' energy: -110.336
flat angles C4'-P-C4' energy: -124.249
flat angles P-C4'-P energy: -56.199
tors. eta vs tors. theta energy: -124.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1556.580674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.580674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.580674 (E_RNA)
where:
Base-Base interactions energy: -1011.584
where: short stacking energy: -460.244
Base-Backbone interact. energy: -2.236
local terms energy: -542.760855
where:
bonds (distance) C4'-P energy: -109.878
bonds (distance) P-C4' energy: -124.570
flat angles C4'-P-C4' energy: -110.343
flat angles P-C4'-P energy: -82.883
tors. eta vs tors. theta energy: -115.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1311.934408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.934408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.934408 (E_RNA)
where:
Base-Base interactions energy: -783.532
where: short stacking energy: -388.562
Base-Backbone interact. energy: -2.513
local terms energy: -525.889384
where:
bonds (distance) C4'-P energy: -110.444
bonds (distance) P-C4' energy: -111.606
flat angles C4'-P-C4' energy: -114.330
flat angles P-C4'-P energy: -84.206
tors. eta vs tors. theta energy: -105.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1199.080366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.080366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.080366 (E_RNA)
where:
Base-Base interactions energy: -747.439
where: short stacking energy: -350.063
Base-Backbone interact. energy: 0.525
local terms energy: -452.166499
where:
bonds (distance) C4'-P energy: -103.125
bonds (distance) P-C4' energy: -110.178
flat angles C4'-P-C4' energy: -105.708
flat angles P-C4'-P energy: -63.376
tors. eta vs tors. theta energy: -69.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -1021.991854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.991854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.991854 (E_RNA)
where:
Base-Base interactions energy: -578.427
where: short stacking energy: -304.051
Base-Backbone interact. energy: -1.532
local terms energy: -442.032113
where:
bonds (distance) C4'-P energy: -108.699
bonds (distance) P-C4' energy: -97.791
flat angles C4'-P-C4' energy: -107.092
flat angles P-C4'-P energy: -76.238
tors. eta vs tors. theta energy: -52.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -854.631314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.631314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.631314 (E_RNA)
where:
Base-Base interactions energy: -459.715
where: short stacking energy: -235.472
Base-Backbone interact. energy: -1.040
local terms energy: -393.876217
where:
bonds (distance) C4'-P energy: -89.937
bonds (distance) P-C4' energy: -96.442
flat angles C4'-P-C4' energy: -101.377
flat angles P-C4'-P energy: -75.035
tors. eta vs tors. theta energy: -31.086
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: 10
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -744.904827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.904827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.904827 (E_RNA)
where:
Base-Base interactions energy: -384.916
where: short stacking energy: -201.183
Base-Backbone interact. energy: 1.037
local terms energy: -361.025946
where:
bonds (distance) C4'-P energy: -101.853
bonds (distance) P-C4' energy: -106.016
flat angles C4'-P-C4' energy: -82.026
flat angles P-C4'-P energy: -55.410
tors. eta vs tors. theta energy: -15.722
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: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -535.356517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.356517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.356517 (E_RNA)
where:
Base-Base interactions energy: -224.929
where: short stacking energy: -135.408
Base-Backbone interact. energy: 1.896
local terms energy: -312.323543
where:
bonds (distance) C4'-P energy: -96.419
bonds (distance) P-C4' energy: -112.535
flat angles C4'-P-C4' energy: -72.033
flat angles P-C4'-P energy: -51.862
tors. eta vs tors. theta energy: 20.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -499.582767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.582767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.582767 (E_RNA)
where:
Base-Base interactions energy: -205.230
where: short stacking energy: -137.102
Base-Backbone interact. energy: -0.972
local terms energy: -293.380649
where:
bonds (distance) C4'-P energy: -89.307
bonds (distance) P-C4' energy: -106.830
flat angles C4'-P-C4' energy: -67.932
flat angles P-C4'-P energy: -49.069
tors. eta vs tors. theta energy: 19.758
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: 7
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1703.043054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.043054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.043054 (E_RNA)
where:
Base-Base interactions energy: -1138.902
where: short stacking energy: -469.384
Base-Backbone interact. energy: -0.064
local terms energy: -564.077134
where:
bonds (distance) C4'-P energy: -106.198
bonds (distance) P-C4' energy: -131.772
flat angles C4'-P-C4' energy: -113.687
flat angles P-C4'-P energy: -83.432
tors. eta vs tors. theta energy: -128.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1550.716925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.716925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.716925 (E_RNA)
where:
Base-Base interactions energy: -1004.401
where: short stacking energy: -493.046
Base-Backbone interact. energy: -0.608
local terms energy: -545.708030
where:
bonds (distance) C4'-P energy: -97.506
bonds (distance) P-C4' energy: -125.768
flat angles C4'-P-C4' energy: -118.805
flat angles P-C4'-P energy: -81.278
tors. eta vs tors. theta energy: -122.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1439.208023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.208023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.208023 (E_RNA)
where:
Base-Base interactions energy: -902.976
where: short stacking energy: -446.709
Base-Backbone interact. energy: -3.372
local terms energy: -532.860453
where:
bonds (distance) C4'-P energy: -106.070
bonds (distance) P-C4' energy: -105.510
flat angles C4'-P-C4' energy: -117.907
flat angles P-C4'-P energy: -79.157
tors. eta vs tors. theta energy: -124.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1341.143235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.143235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.143235 (E_RNA)
where:
Base-Base interactions energy: -807.920
where: short stacking energy: -387.378
Base-Backbone interact. energy: -2.654
local terms energy: -530.569451
where:
bonds (distance) C4'-P energy: -118.854
bonds (distance) P-C4' energy: -119.714
flat angles C4'-P-C4' energy: -117.593
flat angles P-C4'-P energy: -73.845
tors. eta vs tors. theta energy: -100.563
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: 25
Temperature: 1.100000
Total energy: -1238.647282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.647282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.647282 (E_RNA)
where:
Base-Base interactions energy: -743.597
where: short stacking energy: -336.908
Base-Backbone interact. energy: -1.034
local terms energy: -494.016707
where:
bonds (distance) C4'-P energy: -103.236
bonds (distance) P-C4' energy: -122.031
flat angles C4'-P-C4' energy: -120.585
flat angles P-C4'-P energy: -57.914
tors. eta vs tors. theta energy: -90.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -987.271808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.271808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.271808 (E_RNA)
where:
Base-Base interactions energy: -548.003
where: short stacking energy: -310.484
Base-Backbone interact. energy: 0.181
local terms energy: -439.449587
where:
bonds (distance) C4'-P energy: -106.676
bonds (distance) P-C4' energy: -99.273
flat angles C4'-P-C4' energy: -101.791
flat angles P-C4'-P energy: -73.776
tors. eta vs tors. theta energy: -57.933
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: 7, replica: 5
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -1024.610529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.610529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.610529 (E_RNA)
where:
Base-Base interactions energy: -625.353
where: short stacking energy: -312.202
Base-Backbone interact. energy: 0.352
local terms energy: -399.609190
where:
bonds (distance) C4'-P energy: -74.869
bonds (distance) P-C4' energy: -99.509
flat angles C4'-P-C4' energy: -98.543
flat angles P-C4'-P energy: -68.917
tors. eta vs tors. theta energy: -57.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -774.175544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.175544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.175544 (E_RNA)
where:
Base-Base interactions energy: -411.125
where: short stacking energy: -218.988
Base-Backbone interact. energy: 0.304
local terms energy: -363.355013
where:
bonds (distance) C4'-P energy: -84.109
bonds (distance) P-C4' energy: -87.360
flat angles C4'-P-C4' energy: -91.093
flat angles P-C4'-P energy: -80.655
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: 25
Temperature: 1.300000
Total energy: -490.744779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.744779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.744779 (E_RNA)
where:
Base-Base interactions energy: -195.815
where: short stacking energy: -160.184
Base-Backbone interact. energy: 3.187
local terms energy: -298.115885
where:
bonds (distance) C4'-P energy: -84.170
bonds (distance) P-C4' energy: -96.712
flat angles C4'-P-C4' energy: -82.150
flat angles P-C4'-P energy: -36.050
tors. eta vs tors. theta energy: 0.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -525.718121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.718121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.718121 (E_RNA)
where:
Base-Base interactions energy: -226.833
where: short stacking energy: -136.037
Base-Backbone interact. energy: 3.620
local terms energy: -302.505332
where:
bonds (distance) C4'-P energy: -86.879
bonds (distance) P-C4' energy: -74.751
flat angles C4'-P-C4' energy: -95.542
flat angles P-C4'-P energy: -66.555
tors. eta vs tors. theta energy: 21.222
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: 7
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1671.472461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.472461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.472461 (E_RNA)
where:
Base-Base interactions energy: -1111.506
where: short stacking energy: -499.539
Base-Backbone interact. energy: -2.636
local terms energy: -557.331159
where:
bonds (distance) C4'-P energy: -115.210
bonds (distance) P-C4' energy: -116.755
flat angles C4'-P-C4' energy: -117.784
flat angles P-C4'-P energy: -85.828
tors. eta vs tors. theta energy: -121.754
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: 26
Temperature: 0.950000
Total energy: -1546.537659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.537659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.537659 (E_RNA)
where:
Base-Base interactions energy: -979.517
where: short stacking energy: -472.838
Base-Backbone interact. energy: -1.302
local terms energy: -565.718523
where:
bonds (distance) C4'-P energy: -124.591
bonds (distance) P-C4' energy: -120.983
flat angles C4'-P-C4' energy: -112.868
flat angles P-C4'-P energy: -83.006
tors. eta vs tors. theta energy: -124.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1421.919237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.919237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.919237 (E_RNA)
where:
Base-Base interactions energy: -878.586
where: short stacking energy: -409.914
Base-Backbone interact. energy: -3.683
local terms energy: -539.650255
where:
bonds (distance) C4'-P energy: -116.213
bonds (distance) P-C4' energy: -107.721
flat angles C4'-P-C4' energy: -120.021
flat angles P-C4'-P energy: -73.462
tors. eta vs tors. theta energy: -122.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1332.089268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.089268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.089268 (E_RNA)
where:
Base-Base interactions energy: -833.822
where: short stacking energy: -390.327
Base-Backbone interact. energy: 0.117
local terms energy: -498.384428
where:
bonds (distance) C4'-P energy: -111.555
bonds (distance) P-C4' energy: -103.321
flat angles C4'-P-C4' energy: -115.790
flat angles P-C4'-P energy: -60.102
tors. eta vs tors. theta energy: -107.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1237.211963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.211963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.211963 (E_RNA)
where:
Base-Base interactions energy: -772.225
where: short stacking energy: -363.448
Base-Backbone interact. energy: -3.567
local terms energy: -461.420118
where:
bonds (distance) C4'-P energy: -103.746
bonds (distance) P-C4' energy: -111.282
flat angles C4'-P-C4' energy: -111.328
flat angles P-C4'-P energy: -58.399
tors. eta vs tors. theta energy: -76.666
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: 3
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1089.914776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.914776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.914776 (E_RNA)
where:
Base-Base interactions energy: -664.606
where: short stacking energy: -323.843
Base-Backbone interact. energy: 1.194
local terms energy: -426.502613
where:
bonds (distance) C4'-P energy: -96.850
bonds (distance) P-C4' energy: -108.379
flat angles C4'-P-C4' energy: -98.783
flat angles P-C4'-P energy: -63.238
tors. eta vs tors. theta energy: -59.253
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: 5
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -964.889923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.889923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.889923 (E_RNA)
where:
Base-Base interactions energy: -577.600
where: short stacking energy: -278.548
Base-Backbone interact. energy: -3.632
local terms energy: -383.657812
where:
bonds (distance) C4'-P energy: -96.431
bonds (distance) P-C4' energy: -94.624
flat angles C4'-P-C4' energy: -92.631
flat angles P-C4'-P energy: -64.700
tors. eta vs tors. theta energy: -35.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -794.820308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.820308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.820308 (E_RNA)
where:
Base-Base interactions energy: -428.653
where: short stacking energy: -221.431
Base-Backbone interact. energy: 0.536
local terms energy: -366.703686
where:
bonds (distance) C4'-P energy: -105.965
bonds (distance) P-C4' energy: -100.339
flat angles C4'-P-C4' energy: -96.428
flat angles P-C4'-P energy: -50.506
tors. eta vs tors. theta energy: -13.466
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: 9
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -587.140887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.140887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.140887 (E_RNA)
where:
Base-Base interactions energy: -257.927
where: short stacking energy: -144.623
Base-Backbone interact. energy: -1.267
local terms energy: -327.946919
where:
bonds (distance) C4'-P energy: -104.776
bonds (distance) P-C4' energy: -108.763
flat angles C4'-P-C4' energy: -83.010
flat angles P-C4'-P energy: -50.496
tors. eta vs tors. theta energy: 19.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -521.796893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.796893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.796893 (E_RNA)
where:
Base-Base interactions energy: -207.784
where: short stacking energy: -142.113
Base-Backbone interact. energy: 1.325
local terms energy: -315.338234
where:
bonds (distance) C4'-P energy: -100.504
bonds (distance) P-C4' energy: -91.407
flat angles C4'-P-C4' energy: -82.248
flat angles P-C4'-P energy: -52.246
tors. eta vs tors. theta energy: 11.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1674.215292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.215292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.215292 (E_RNA)
where:
Base-Base interactions energy: -1087.715
where: short stacking energy: -471.096
Base-Backbone interact. energy: -1.925
local terms energy: -584.575140
where:
bonds (distance) C4'-P energy: -126.220
bonds (distance) P-C4' energy: -121.792
flat angles C4'-P-C4' energy: -122.909
flat angles P-C4'-P energy: -80.890
tors. eta vs tors. theta energy: -132.764
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: 2, replica: 4
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1515.549437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.549437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.549437 (E_RNA)
where:
Base-Base interactions energy: -961.323
where: short stacking energy: -487.649
Base-Backbone interact. energy: -0.973
local terms energy: -553.253989
where:
bonds (distance) C4'-P energy: -106.691
bonds (distance) P-C4' energy: -124.651
flat angles C4'-P-C4' energy: -121.036
flat angles P-C4'-P energy: -67.743
tors. eta vs tors. theta energy: -133.134
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: 27
Temperature: 1.000000
Total energy: -1423.602302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.602302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.602302 (E_RNA)
where:
Base-Base interactions energy: -883.346
where: short stacking energy: -457.937
Base-Backbone interact. energy: -1.269
local terms energy: -538.987905
where:
bonds (distance) C4'-P energy: -106.628
bonds (distance) P-C4' energy: -105.549
flat angles C4'-P-C4' energy: -123.071
flat angles P-C4'-P energy: -79.351
tors. eta vs tors. theta energy: -124.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1336.855212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.855212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.855212 (E_RNA)
where:
Base-Base interactions energy: -825.903
where: short stacking energy: -422.416
Base-Backbone interact. energy: 0.872
local terms energy: -511.824817
where:
bonds (distance) C4'-P energy: -105.884
bonds (distance) P-C4' energy: -108.648
flat angles C4'-P-C4' energy: -117.842
flat angles P-C4'-P energy: -69.511
tors. eta vs tors. theta energy: -109.939
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: 27
Temperature: 1.100000
Total energy: -1232.986094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.986094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.986094 (E_RNA)
where:
Base-Base interactions energy: -759.622
where: short stacking energy: -318.095
Base-Backbone interact. energy: -0.586
local terms energy: -472.778786
where:
bonds (distance) C4'-P energy: -107.647
bonds (distance) P-C4' energy: -109.682
flat angles C4'-P-C4' energy: -109.182
flat angles P-C4'-P energy: -73.553
tors. eta vs tors. theta energy: -72.715
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: 3
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -1087.740248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.740248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.740248 (E_RNA)
where:
Base-Base interactions energy: -654.901
where: short stacking energy: -303.686
Base-Backbone interact. energy: 1.299
local terms energy: -434.139030
where:
bonds (distance) C4'-P energy: -109.710
bonds (distance) P-C4' energy: -104.493
flat angles C4'-P-C4' energy: -91.505
flat angles P-C4'-P energy: -64.072
tors. eta vs tors. theta energy: -64.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -901.074189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.074189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.074189 (E_RNA)
where:
Base-Base interactions energy: -482.946
where: short stacking energy: -232.864
Base-Backbone interact. energy: -2.880
local terms energy: -415.248312
where:
bonds (distance) C4'-P energy: -107.922
bonds (distance) P-C4' energy: -102.732
flat angles C4'-P-C4' energy: -101.095
flat angles P-C4'-P energy: -70.138
tors. eta vs tors. theta energy: -33.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -809.945495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.945495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.945495 (E_RNA)
where:
Base-Base interactions energy: -443.464
where: short stacking energy: -232.198
Base-Backbone interact. energy: -2.160
local terms energy: -364.321458
where:
bonds (distance) C4'-P energy: -105.461
bonds (distance) P-C4' energy: -100.444
flat angles C4'-P-C4' energy: -76.079
flat angles P-C4'-P energy: -54.733
tors. eta vs tors. theta energy: -27.604
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: 27
Temperature: 1.300000
Total energy: -575.780673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.780673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.780673 (E_RNA)
where:
Base-Base interactions energy: -273.621
where: short stacking energy: -152.482
Base-Backbone interact. energy: 4.162
local terms energy: -306.321899
where:
bonds (distance) C4'-P energy: -94.087
bonds (distance) P-C4' energy: -90.504
flat angles C4'-P-C4' energy: -85.004
flat angles P-C4'-P energy: -54.540
tors. eta vs tors. theta energy: 17.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -477.771547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.771547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.771547 (E_RNA)
where:
Base-Base interactions energy: -182.352
where: short stacking energy: -123.695
Base-Backbone interact. energy: 1.784
local terms energy: -297.203783
where:
bonds (distance) C4'-P energy: -100.286
bonds (distance) P-C4' energy: -103.333
flat angles C4'-P-C4' energy: -92.542
flat angles P-C4'-P energy: -32.965
tors. eta vs tors. theta energy: 31.923
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: 7
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1703.634668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.634668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.634668 (E_RNA)
where:
Base-Base interactions energy: -1095.190
where: short stacking energy: -495.738
Base-Backbone interact. energy: -1.355
local terms energy: -607.089745
where:
bonds (distance) C4'-P energy: -131.113
bonds (distance) P-C4' energy: -108.700
flat angles C4'-P-C4' energy: -133.906
flat angles P-C4'-P energy: -90.699
tors. eta vs tors. theta energy: -142.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1530.085487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.085487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.085487 (E_RNA)
where:
Base-Base interactions energy: -949.936
where: short stacking energy: -459.912
Base-Backbone interact. energy: -0.629
local terms energy: -579.520393
where:
bonds (distance) C4'-P energy: -124.048
bonds (distance) P-C4' energy: -122.645
flat angles C4'-P-C4' energy: -112.951
flat angles P-C4'-P energy: -88.075
tors. eta vs tors. theta energy: -131.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1379.329456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.329456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.329456 (E_RNA)
where:
Base-Base interactions energy: -876.865
where: short stacking energy: -423.622
Base-Backbone interact. energy: -2.465
local terms energy: -499.999166
where:
bonds (distance) C4'-P energy: -107.381
bonds (distance) P-C4' energy: -114.344
flat angles C4'-P-C4' energy: -109.452
flat angles P-C4'-P energy: -65.305
tors. eta vs tors. theta energy: -103.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1325.552428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.552428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.552428 (E_RNA)
where:
Base-Base interactions energy: -845.949
where: short stacking energy: -393.126
Base-Backbone interact. energy: -2.946
local terms energy: -476.657914
where:
bonds (distance) C4'-P energy: -109.359
bonds (distance) P-C4' energy: -117.627
flat angles C4'-P-C4' energy: -118.691
flat angles P-C4'-P energy: -42.410
tors. eta vs tors. theta energy: -88.571
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: 6
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1219.062459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.062459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.062459 (E_RNA)
where:
Base-Base interactions energy: -767.899
where: short stacking energy: -369.650
Base-Backbone interact. energy: 2.333
local terms energy: -453.496138
where:
bonds (distance) C4'-P energy: -102.749
bonds (distance) P-C4' energy: -114.504
flat angles C4'-P-C4' energy: -106.087
flat angles P-C4'-P energy: -72.029
tors. eta vs tors. theta energy: -58.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -1101.659957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.659957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.659957 (E_RNA)
where:
Base-Base interactions energy: -643.049
where: short stacking energy: -316.276
Base-Backbone interact. energy: 0.643
local terms energy: -459.254220
where:
bonds (distance) C4'-P energy: -103.976
bonds (distance) P-C4' energy: -108.840
flat angles C4'-P-C4' energy: -113.001
flat angles P-C4'-P energy: -73.080
tors. eta vs tors. theta energy: -60.358
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: 5
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -886.352312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.352312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.352312 (E_RNA)
where:
Base-Base interactions energy: -502.383
where: short stacking energy: -239.730
Base-Backbone interact. energy: 2.588
local terms energy: -386.556674
where:
bonds (distance) C4'-P energy: -92.353
bonds (distance) P-C4' energy: -108.759
flat angles C4'-P-C4' energy: -98.801
flat angles P-C4'-P energy: -58.674
tors. eta vs tors. theta energy: -27.969
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: 10
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -857.574634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.574634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.574634 (E_RNA)
where:
Base-Base interactions energy: -465.461
where: short stacking energy: -236.965
Base-Backbone interact. energy: 0.182
local terms energy: -392.295692
where:
bonds (distance) C4'-P energy: -98.182
bonds (distance) P-C4' energy: -106.037
flat angles C4'-P-C4' energy: -90.989
flat angles P-C4'-P energy: -68.180
tors. eta vs tors. theta energy: -28.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -640.024741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.024741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.024741 (E_RNA)
where:
Base-Base interactions energy: -311.284
where: short stacking energy: -170.660
Base-Backbone interact. energy: -0.583
local terms energy: -328.158469
where:
bonds (distance) C4'-P energy: -106.314
bonds (distance) P-C4' energy: -93.248
flat angles C4'-P-C4' energy: -83.486
flat angles P-C4'-P energy: -39.968
tors. eta vs tors. theta energy: -5.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -527.506835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.506835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.506835 (E_RNA)
where:
Base-Base interactions energy: -242.972
where: short stacking energy: -170.137
Base-Backbone interact. energy: -1.745
local terms energy: -282.789481
where:
bonds (distance) C4'-P energy: -74.299
bonds (distance) P-C4' energy: -112.329
flat angles C4'-P-C4' energy: -75.292
flat angles P-C4'-P energy: -42.651
tors. eta vs tors. theta energy: 21.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1730.943385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.943385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.943385 (E_RNA)
where:
Base-Base interactions energy: -1132.560
where: short stacking energy: -492.043
Base-Backbone interact. energy: -3.092
local terms energy: -595.292060
where:
bonds (distance) C4'-P energy: -122.517
bonds (distance) P-C4' energy: -105.822
flat angles C4'-P-C4' energy: -128.900
flat angles P-C4'-P energy: -96.560
tors. eta vs tors. theta energy: -141.493
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: 4
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1538.070401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.070401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.070401 (E_RNA)
where:
Base-Base interactions energy: -993.814
where: short stacking energy: -473.066
Base-Backbone interact. energy: -1.752
local terms energy: -542.504839
where:
bonds (distance) C4'-P energy: -105.469
bonds (distance) P-C4' energy: -123.842
flat angles C4'-P-C4' energy: -112.915
flat angles P-C4'-P energy: -74.953
tors. eta vs tors. theta energy: -125.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1447.641464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.641464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.641464 (E_RNA)
where:
Base-Base interactions energy: -894.087
where: short stacking energy: -447.686
Base-Backbone interact. energy: -1.499
local terms energy: -552.055843
where:
bonds (distance) C4'-P energy: -100.232
bonds (distance) P-C4' energy: -116.756
flat angles C4'-P-C4' energy: -129.993
flat angles P-C4'-P energy: -85.580
tors. eta vs tors. theta energy: -119.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1230.629520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.629520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.629520 (E_RNA)
where:
Base-Base interactions energy: -768.196
where: short stacking energy: -366.917
Base-Backbone interact. energy: -3.069
local terms energy: -459.364245
where:
bonds (distance) C4'-P energy: -99.072
bonds (distance) P-C4' energy: -110.518
flat angles C4'-P-C4' energy: -113.303
flat angles P-C4'-P energy: -53.302
tors. eta vs tors. theta energy: -83.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1196.202496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.202496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.202496 (E_RNA)
where:
Base-Base interactions energy: -749.696
where: short stacking energy: -368.732
Base-Backbone interact. energy: -1.256
local terms energy: -445.251125
where:
bonds (distance) C4'-P energy: -106.836
bonds (distance) P-C4' energy: -99.080
flat angles C4'-P-C4' energy: -94.711
flat angles P-C4'-P energy: -55.752
tors. eta vs tors. theta energy: -88.872
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: 6, replica: 3
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -1115.136474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.136474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.136474 (E_RNA)
where:
Base-Base interactions energy: -674.843
where: short stacking energy: -338.020
Base-Backbone interact. energy: -0.963
local terms energy: -439.331220
where:
bonds (distance) C4'-P energy: -84.203
bonds (distance) P-C4' energy: -97.802
flat angles C4'-P-C4' energy: -117.191
flat angles P-C4'-P energy: -62.738
tors. eta vs tors. theta energy: -77.398
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: 5
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -900.350411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.350411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.350411 (E_RNA)
where:
Base-Base interactions energy: -520.895
where: short stacking energy: -273.885
Base-Backbone interact. energy: -1.512
local terms energy: -377.943803
where:
bonds (distance) C4'-P energy: -90.498
bonds (distance) P-C4' energy: -104.293
flat angles C4'-P-C4' energy: -88.865
flat angles P-C4'-P energy: -60.624
tors. eta vs tors. theta energy: -33.664
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: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -902.640788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.640788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.640788 (E_RNA)
where:
Base-Base interactions energy: -487.697
where: short stacking energy: -239.447
Base-Backbone interact. energy: -0.351
local terms energy: -414.592657
where:
bonds (distance) C4'-P energy: -105.602
bonds (distance) P-C4' energy: -101.287
flat angles C4'-P-C4' energy: -102.157
flat angles P-C4'-P energy: -55.808
tors. eta vs tors. theta energy: -49.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -653.794095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.794095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.794095 (E_RNA)
where:
Base-Base interactions energy: -307.804
where: short stacking energy: -155.808
Base-Backbone interact. energy: -2.233
local terms energy: -343.757368
where:
bonds (distance) C4'-P energy: -93.767
bonds (distance) P-C4' energy: -103.173
flat angles C4'-P-C4' energy: -98.287
flat angles P-C4'-P energy: -50.772
tors. eta vs tors. theta energy: 2.241
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: 8
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -593.091967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.091967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.091967 (E_RNA)
where:
Base-Base interactions energy: -287.650
where: short stacking energy: -152.427
Base-Backbone interact. energy: 3.576
local terms energy: -309.017889
where:
bonds (distance) C4'-P energy: -98.949
bonds (distance) P-C4' energy: -97.844
flat angles C4'-P-C4' energy: -74.829
flat angles P-C4'-P energy: -35.743
tors. eta vs tors. theta energy: -1.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1762.845537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.845537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.845537 (E_RNA)
where:
Base-Base interactions energy: -1161.086
where: short stacking energy: -521.784
Base-Backbone interact. energy: -1.604
local terms energy: -600.155583
where:
bonds (distance) C4'-P energy: -124.003
bonds (distance) P-C4' energy: -122.415
flat angles C4'-P-C4' energy: -132.538
flat angles P-C4'-P energy: -75.541
tors. eta vs tors. theta energy: -145.657
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: 4
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1522.041587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.041587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.041587 (E_RNA)
where:
Base-Base interactions energy: -979.167
where: short stacking energy: -456.524
Base-Backbone interact. energy: -2.907
local terms energy: -539.967452
where:
bonds (distance) C4'-P energy: -100.104
bonds (distance) P-C4' energy: -126.425
flat angles C4'-P-C4' energy: -116.067
flat angles P-C4'-P energy: -82.235
tors. eta vs tors. theta energy: -115.137
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: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1381.835773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.835773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.835773 (E_RNA)
where:
Base-Base interactions energy: -867.092
where: short stacking energy: -432.513
Base-Backbone interact. energy: -2.272
local terms energy: -512.471165
where:
bonds (distance) C4'-P energy: -94.978
bonds (distance) P-C4' energy: -92.479
flat angles C4'-P-C4' energy: -124.918
flat angles P-C4'-P energy: -85.798
tors. eta vs tors. theta energy: -114.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1328.283074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.283074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.283074 (E_RNA)
where:
Base-Base interactions energy: -825.212
where: short stacking energy: -385.608
Base-Backbone interact. energy: -0.745
local terms energy: -502.326596
where:
bonds (distance) C4'-P energy: -111.268
bonds (distance) P-C4' energy: -112.060
flat angles C4'-P-C4' energy: -117.232
flat angles P-C4'-P energy: -58.647
tors. eta vs tors. theta energy: -103.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1283.871148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.871148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.871148 (E_RNA)
where:
Base-Base interactions energy: -780.510
where: short stacking energy: -373.709
Base-Backbone interact. energy: 2.475
local terms energy: -505.835958
where:
bonds (distance) C4'-P energy: -121.875
bonds (distance) P-C4' energy: -101.411
flat angles C4'-P-C4' energy: -115.290
flat angles P-C4'-P energy: -75.370
tors. eta vs tors. theta energy: -91.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1199.504416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.504416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.504416 (E_RNA)
where:
Base-Base interactions energy: -777.761
where: short stacking energy: -347.941
Base-Backbone interact. energy: 2.201
local terms energy: -423.944756
where:
bonds (distance) C4'-P energy: -94.657
bonds (distance) P-C4' energy: -86.601
flat angles C4'-P-C4' energy: -109.999
flat angles P-C4'-P energy: -44.666
tors. eta vs tors. theta energy: -88.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -960.914007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.914007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.914007 (E_RNA)
where:
Base-Base interactions energy: -549.796
where: short stacking energy: -265.662
Base-Backbone interact. energy: 1.365
local terms energy: -412.482819
where:
bonds (distance) C4'-P energy: -95.728
bonds (distance) P-C4' energy: -110.108
flat angles C4'-P-C4' energy: -108.195
flat angles P-C4'-P energy: -57.364
tors. eta vs tors. theta energy: -41.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -828.510092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.510092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.510092 (E_RNA)
where:
Base-Base interactions energy: -449.777
where: short stacking energy: -231.679
Base-Backbone interact. energy: -0.985
local terms energy: -377.747286
where:
bonds (distance) C4'-P energy: -104.535
bonds (distance) P-C4' energy: -100.775
flat angles C4'-P-C4' energy: -105.109
flat angles P-C4'-P energy: -42.583
tors. eta vs tors. theta energy: -24.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -691.141783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.141783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.141783 (E_RNA)
where:
Base-Base interactions energy: -336.663
where: short stacking energy: -170.893
Base-Backbone interact. energy: -1.978
local terms energy: -352.500948
where:
bonds (distance) C4'-P energy: -102.781
bonds (distance) P-C4' energy: -92.077
flat angles C4'-P-C4' energy: -104.834
flat angles P-C4'-P energy: -60.174
tors. eta vs tors. theta energy: 7.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -506.565395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.565395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.565395 (E_RNA)
where:
Base-Base interactions energy: -217.573
where: short stacking energy: -129.018
Base-Backbone interact. energy: -3.416
local terms energy: -285.576096
where:
bonds (distance) C4'-P energy: -102.542
bonds (distance) P-C4' energy: -98.490
flat angles C4'-P-C4' energy: -78.502
flat angles P-C4'-P energy: -37.893
tors. eta vs tors. theta energy: 31.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1759.836924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.836924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.836924 (E_RNA)
where:
Base-Base interactions energy: -1172.029
where: short stacking energy: -529.963
Base-Backbone interact. energy: -0.648
local terms energy: -587.159973
where:
bonds (distance) C4'-P energy: -117.303
bonds (distance) P-C4' energy: -119.501
flat angles C4'-P-C4' energy: -130.529
flat angles P-C4'-P energy: -79.187
tors. eta vs tors. theta energy: -140.640
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: 4
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1495.614372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.614372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.614372 (E_RNA)
where:
Base-Base interactions energy: -920.958
where: short stacking energy: -433.068
Base-Backbone interact. energy: -1.175
local terms energy: -573.481613
where:
bonds (distance) C4'-P energy: -114.720
bonds (distance) P-C4' energy: -113.383
flat angles C4'-P-C4' energy: -129.082
flat angles P-C4'-P energy: -95.857
tors. eta vs tors. theta energy: -120.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1384.497941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.497941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.497941 (E_RNA)
where:
Base-Base interactions energy: -878.191
where: short stacking energy: -423.033
Base-Backbone interact. energy: -1.253
local terms energy: -505.053809
where:
bonds (distance) C4'-P energy: -112.776
bonds (distance) P-C4' energy: -107.335
flat angles C4'-P-C4' energy: -107.678
flat angles P-C4'-P energy: -69.723
tors. eta vs tors. theta energy: -107.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1360.450205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.450205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.450205 (E_RNA)
where:
Base-Base interactions energy: -884.266
where: short stacking energy: -408.751
Base-Backbone interact. energy: -0.718
local terms energy: -475.466485
where:
bonds (distance) C4'-P energy: -104.707
bonds (distance) P-C4' energy: -85.609
flat angles C4'-P-C4' energy: -109.297
flat angles P-C4'-P energy: -82.071
tors. eta vs tors. theta energy: -93.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1307.232442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.232442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.232442 (E_RNA)
where:
Base-Base interactions energy: -829.037
where: short stacking energy: -375.390
Base-Backbone interact. energy: 0.068
local terms energy: -478.263049
where:
bonds (distance) C4'-P energy: -104.469
bonds (distance) P-C4' energy: -101.811
flat angles C4'-P-C4' energy: -106.649
flat angles P-C4'-P energy: -70.939
tors. eta vs tors. theta energy: -94.395
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: 3
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1212.425194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.425194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.425194 (E_RNA)
where:
Base-Base interactions energy: -759.564
where: short stacking energy: -357.613
Base-Backbone interact. energy: 1.314
local terms energy: -454.174680
where:
bonds (distance) C4'-P energy: -99.736
bonds (distance) P-C4' energy: -110.509
flat angles C4'-P-C4' energy: -97.799
flat angles P-C4'-P energy: -70.923
tors. eta vs tors. theta energy: -75.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -966.959211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.959211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.959211 (E_RNA)
where:
Base-Base interactions energy: -546.394
where: short stacking energy: -268.566
Base-Backbone interact. energy: 3.821
local terms energy: -424.386637
where:
bonds (distance) C4'-P energy: -103.944
bonds (distance) P-C4' energy: -104.763
flat angles C4'-P-C4' energy: -107.703
flat angles P-C4'-P energy: -65.626
tors. eta vs tors. theta energy: -42.350
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: 9
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -803.374942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.374942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.374942 (E_RNA)
where:
Base-Base interactions energy: -430.133
where: short stacking energy: -232.272
Base-Backbone interact. energy: -1.641
local terms energy: -371.600250
where:
bonds (distance) C4'-P energy: -103.188
bonds (distance) P-C4' energy: -106.159
flat angles C4'-P-C4' energy: -99.413
flat angles P-C4'-P energy: -40.864
tors. eta vs tors. theta energy: -21.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -768.727600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.727600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.727600 (E_RNA)
where:
Base-Base interactions energy: -457.457
where: short stacking energy: -200.679
Base-Backbone interact. energy: 7.113
local terms energy: -318.384484
where:
bonds (distance) C4'-P energy: -93.841
bonds (distance) P-C4' energy: -98.941
flat angles C4'-P-C4' energy: -80.953
flat angles P-C4'-P energy: -39.437
tors. eta vs tors. theta energy: -5.213
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: 8
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -469.259695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.259695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.259695 (E_RNA)
where:
Base-Base interactions energy: -158.249
where: short stacking energy: -134.718
Base-Backbone interact. energy: 3.334
local terms energy: -314.344381
where:
bonds (distance) C4'-P energy: -77.821
bonds (distance) P-C4' energy: -121.429
flat angles C4'-P-C4' energy: -77.591
flat angles P-C4'-P energy: -53.918
tors. eta vs tors. theta energy: 16.414
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: 7
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1787.362793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.362793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.362793 (E_RNA)
where:
Base-Base interactions energy: -1157.235
where: short stacking energy: -536.089
Base-Backbone interact. energy: -2.857
local terms energy: -627.271285
where:
bonds (distance) C4'-P energy: -114.775
bonds (distance) P-C4' energy: -124.447
flat angles C4'-P-C4' energy: -139.675
flat angles P-C4'-P energy: -93.335
tors. eta vs tors. theta energy: -155.040
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: 2, replica: 4
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1539.033271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.033271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.033271 (E_RNA)
where:
Base-Base interactions energy: -973.064
where: short stacking energy: -494.395
Base-Backbone interact. energy: -1.725
local terms energy: -564.244214
where:
bonds (distance) C4'-P energy: -107.910
bonds (distance) P-C4' energy: -118.682
flat angles C4'-P-C4' energy: -126.766
flat angles P-C4'-P energy: -75.240
tors. eta vs tors. theta energy: -135.646
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: 3, replica: 1
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1426.573760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.573760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.573760 (E_RNA)
where:
Base-Base interactions energy: -918.061
where: short stacking energy: -427.315
Base-Backbone interact. energy: -0.596
local terms energy: -507.916447
where:
bonds (distance) C4'-P energy: -100.348
bonds (distance) P-C4' energy: -109.557
flat angles C4'-P-C4' energy: -110.890
flat angles P-C4'-P energy: -72.488
tors. eta vs tors. theta energy: -114.634
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: 2
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1296.661699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.661699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.661699 (E_RNA)
where:
Base-Base interactions energy: -792.313
where: short stacking energy: -375.856
Base-Backbone interact. energy: -2.901
local terms energy: -501.447602
where:
bonds (distance) C4'-P energy: -102.666
bonds (distance) P-C4' energy: -114.445
flat angles C4'-P-C4' energy: -116.684
flat angles P-C4'-P energy: -78.104
tors. eta vs tors. theta energy: -89.549
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: 6
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1282.981773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.981773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.981773 (E_RNA)
where:
Base-Base interactions energy: -793.617
where: short stacking energy: -417.437
Base-Backbone interact. energy: -1.558
local terms energy: -487.807309
where:
bonds (distance) C4'-P energy: -89.731
bonds (distance) P-C4' energy: -106.568
flat angles C4'-P-C4' energy: -115.561
flat angles P-C4'-P energy: -66.757
tors. eta vs tors. theta energy: -109.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1165.545825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.545825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.545825 (E_RNA)
where:
Base-Base interactions energy: -691.112
where: short stacking energy: -342.343
Base-Backbone interact. energy: 1.904
local terms energy: -476.337866
where:
bonds (distance) C4'-P energy: -109.511
bonds (distance) P-C4' energy: -113.213
flat angles C4'-P-C4' energy: -109.800
flat angles P-C4'-P energy: -71.214
tors. eta vs tors. theta energy: -72.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -952.480340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.480340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.480340 (E_RNA)
where:
Base-Base interactions energy: -547.761
where: short stacking energy: -270.186
Base-Backbone interact. energy: 4.427
local terms energy: -409.146741
where:
bonds (distance) C4'-P energy: -92.971
bonds (distance) P-C4' energy: -115.504
flat angles C4'-P-C4' energy: -92.767
flat angles P-C4'-P energy: -65.862
tors. eta vs tors. theta energy: -42.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -809.372649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.372649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.372649 (E_RNA)
where:
Base-Base interactions energy: -432.498
where: short stacking energy: -229.645
Base-Backbone interact. energy: -1.022
local terms energy: -375.852613
where:
bonds (distance) C4'-P energy: -100.058
bonds (distance) P-C4' energy: -103.781
flat angles C4'-P-C4' energy: -94.075
flat angles P-C4'-P energy: -51.921
tors. eta vs tors. theta energy: -26.018
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: 32
Temperature: 1.300000
Total energy: -590.014830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.014830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.014830 (E_RNA)
where:
Base-Base interactions energy: -274.091
where: short stacking energy: -173.359
Base-Backbone interact. energy: 4.929
local terms energy: -320.852646
where:
bonds (distance) C4'-P energy: -106.040
bonds (distance) P-C4' energy: -103.455
flat angles C4'-P-C4' energy: -71.920
flat angles P-C4'-P energy: -55.521
tors. eta vs tors. theta energy: 16.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -454.305236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.305236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.305236 (E_RNA)
where:
Base-Base interactions energy: -145.195
where: short stacking energy: -119.100
Base-Backbone interact. energy: 8.309
local terms energy: -317.420086
where:
bonds (distance) C4'-P energy: -97.460
bonds (distance) P-C4' energy: -100.832
flat angles C4'-P-C4' energy: -80.264
flat angles P-C4'-P energy: -51.356
tors. eta vs tors. theta energy: 12.492
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: 7
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1790.154892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.154892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.154892 (E_RNA)
where:
Base-Base interactions energy: -1187.879
where: short stacking energy: -534.112
Base-Backbone interact. energy: -1.746
local terms energy: -600.530412
where:
bonds (distance) C4'-P energy: -116.980
bonds (distance) P-C4' energy: -119.827
flat angles C4'-P-C4' energy: -123.846
flat angles P-C4'-P energy: -96.969
tors. eta vs tors. theta energy: -142.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1514.059069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.059069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.059069 (E_RNA)
where:
Base-Base interactions energy: -982.995
where: short stacking energy: -432.501
Base-Backbone interact. energy: -2.570
local terms energy: -528.494103
where:
bonds (distance) C4'-P energy: -102.658
bonds (distance) P-C4' energy: -117.775
flat angles C4'-P-C4' energy: -124.504
flat angles P-C4'-P energy: -70.389
tors. eta vs tors. theta energy: -113.168
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: 1
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1415.031450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.031450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.031450 (E_RNA)
where:
Base-Base interactions energy: -889.321
where: short stacking energy: -425.018
Base-Backbone interact. energy: -1.810
local terms energy: -523.900247
where:
bonds (distance) C4'-P energy: -108.107
bonds (distance) P-C4' energy: -116.947
flat angles C4'-P-C4' energy: -120.457
flat angles P-C4'-P energy: -67.646
tors. eta vs tors. theta energy: -110.743
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: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1303.874488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.874488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.874488 (E_RNA)
where:
Base-Base interactions energy: -791.972
where: short stacking energy: -398.248
Base-Backbone interact. energy: 0.160
local terms energy: -512.062704
where:
bonds (distance) C4'-P energy: -108.345
bonds (distance) P-C4' energy: -109.406
flat angles C4'-P-C4' energy: -119.583
flat angles P-C4'-P energy: -77.386
tors. eta vs tors. theta energy: -97.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1368.530482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.530482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.530482 (E_RNA)
where:
Base-Base interactions energy: -834.165
where: short stacking energy: -422.478
Base-Backbone interact. energy: -1.890
local terms energy: -532.474811
where:
bonds (distance) C4'-P energy: -98.718
bonds (distance) P-C4' energy: -111.855
flat angles C4'-P-C4' energy: -122.444
flat angles P-C4'-P energy: -68.477
tors. eta vs tors. theta energy: -130.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1182.665509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.665509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.665509 (E_RNA)
where:
Base-Base interactions energy: -731.175
where: short stacking energy: -337.995
Base-Backbone interact. energy: -1.237
local terms energy: -450.253758
where:
bonds (distance) C4'-P energy: -105.555
bonds (distance) P-C4' energy: -106.303
flat angles C4'-P-C4' energy: -101.404
flat angles P-C4'-P energy: -61.449
tors. eta vs tors. theta energy: -75.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -972.746103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.746103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.746103 (E_RNA)
where:
Base-Base interactions energy: -549.916
where: short stacking energy: -290.023
Base-Backbone interact. energy: -1.259
local terms energy: -421.570786
where:
bonds (distance) C4'-P energy: -88.164
bonds (distance) P-C4' energy: -111.488
flat angles C4'-P-C4' energy: -100.792
flat angles P-C4'-P energy: -73.383
tors. eta vs tors. theta energy: -47.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -822.273348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.273348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.273348 (E_RNA)
where:
Base-Base interactions energy: -458.461
where: short stacking energy: -230.587
Base-Backbone interact. energy: 0.038
local terms energy: -363.849590
where:
bonds (distance) C4'-P energy: -88.646
bonds (distance) P-C4' energy: -102.982
flat angles C4'-P-C4' energy: -86.266
flat angles P-C4'-P energy: -60.815
tors. eta vs tors. theta energy: -25.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -473.152370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.152370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.152370 (E_RNA)
where:
Base-Base interactions energy: -177.754
where: short stacking energy: -153.065
Base-Backbone interact. energy: 6.165
local terms energy: -301.563021
where:
bonds (distance) C4'-P energy: -90.947
bonds (distance) P-C4' energy: -118.918
flat angles C4'-P-C4' energy: -84.036
flat angles P-C4'-P energy: -21.444
tors. eta vs tors. theta energy: 13.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -482.743847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.743847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.743847 (E_RNA)
where:
Base-Base interactions energy: -209.812
where: short stacking energy: -134.580
Base-Backbone interact. energy: -1.746
local terms energy: -271.186060
where:
bonds (distance) C4'-P energy: -79.507
bonds (distance) P-C4' energy: -79.693
flat angles C4'-P-C4' energy: -77.270
flat angles P-C4'-P energy: -38.658
tors. eta vs tors. theta energy: 3.942
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: 7
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1779.816991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.816991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.816991 (E_RNA)
where:
Base-Base interactions energy: -1183.689
where: short stacking energy: -555.275
Base-Backbone interact. energy: -0.157
local terms energy: -595.971424
where:
bonds (distance) C4'-P energy: -112.931
bonds (distance) P-C4' energy: -118.925
flat angles C4'-P-C4' energy: -128.695
flat angles P-C4'-P energy: -81.320
tors. eta vs tors. theta energy: -154.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1530.073019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.073019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.073019 (E_RNA)
where:
Base-Base interactions energy: -992.027
where: short stacking energy: -463.128
Base-Backbone interact. energy: -3.171
local terms energy: -534.874951
where:
bonds (distance) C4'-P energy: -109.777
bonds (distance) P-C4' energy: -108.278
flat angles C4'-P-C4' energy: -122.662
flat angles P-C4'-P energy: -69.738
tors. eta vs tors. theta energy: -124.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1427.042692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.042692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.042692 (E_RNA)
where:
Base-Base interactions energy: -894.021
where: short stacking energy: -452.619
Base-Backbone interact. energy: -1.146
local terms energy: -531.875348
where:
bonds (distance) C4'-P energy: -109.614
bonds (distance) P-C4' energy: -106.071
flat angles C4'-P-C4' energy: -121.607
flat angles P-C4'-P energy: -77.088
tors. eta vs tors. theta energy: -117.497
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: 4, replica: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1363.681865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.681865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.681865 (E_RNA)
where:
Base-Base interactions energy: -827.309
where: short stacking energy: -411.706
Base-Backbone interact. energy: -2.245
local terms energy: -534.127760
where:
bonds (distance) C4'-P energy: -107.043
bonds (distance) P-C4' energy: -108.433
flat angles C4'-P-C4' energy: -120.337
flat angles P-C4'-P energy: -94.348
tors. eta vs tors. theta energy: -103.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1298.616457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.616457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.616457 (E_RNA)
where:
Base-Base interactions energy: -806.558
where: short stacking energy: -389.596
Base-Backbone interact. energy: 3.544
local terms energy: -495.601954
where:
bonds (distance) C4'-P energy: -93.419
bonds (distance) P-C4' energy: -110.266
flat angles C4'-P-C4' energy: -120.759
flat angles P-C4'-P energy: -66.302
tors. eta vs tors. theta energy: -104.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -1194.815482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.815482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.815482 (E_RNA)
where:
Base-Base interactions energy: -750.764
where: short stacking energy: -379.398
Base-Backbone interact. energy: -1.255
local terms energy: -442.796697
where:
bonds (distance) C4'-P energy: -107.732
bonds (distance) P-C4' energy: -91.960
flat angles C4'-P-C4' energy: -110.449
flat angles P-C4'-P energy: -51.099
tors. eta vs tors. theta energy: -81.557
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: 10
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -977.503803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.503803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.503803 (E_RNA)
where:
Base-Base interactions energy: -582.226
where: short stacking energy: -285.603
Base-Backbone interact. energy: -3.124
local terms energy: -392.153689
where:
bonds (distance) C4'-P energy: -105.458
bonds (distance) P-C4' energy: -86.507
flat angles C4'-P-C4' energy: -83.102
flat angles P-C4'-P energy: -63.261
tors. eta vs tors. theta energy: -53.826
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: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -832.128796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.128796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.128796 (E_RNA)
where:
Base-Base interactions energy: -452.101
where: short stacking energy: -213.461
Base-Backbone interact. energy: 0.179
local terms energy: -380.206974
where:
bonds (distance) C4'-P energy: -106.284
bonds (distance) P-C4' energy: -103.512
flat angles C4'-P-C4' energy: -102.917
flat angles P-C4'-P energy: -55.929
tors. eta vs tors. theta energy: -11.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -506.057885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.057885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.057885 (E_RNA)
where:
Base-Base interactions energy: -203.922
where: short stacking energy: -146.464
Base-Backbone interact. energy: 2.299
local terms energy: -304.434087
where:
bonds (distance) C4'-P energy: -82.178
bonds (distance) P-C4' energy: -112.692
flat angles C4'-P-C4' energy: -81.955
flat angles P-C4'-P energy: -51.562
tors. eta vs tors. theta energy: 23.953
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: 8
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -458.393479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.393479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.393479 (E_RNA)
where:
Base-Base interactions energy: -130.259
where: short stacking energy: -103.077
Base-Backbone interact. energy: 4.126
local terms energy: -332.261091
where:
bonds (distance) C4'-P energy: -97.756
bonds (distance) P-C4' energy: -106.282
flat angles C4'-P-C4' energy: -86.719
flat angles P-C4'-P energy: -71.109
tors. eta vs tors. theta energy: 29.606
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: 1, replica: 7
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1816.944737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.944737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.944737 (E_RNA)
where:
Base-Base interactions energy: -1190.162
where: short stacking energy: -560.101
Base-Backbone interact. energy: -3.262
local terms energy: -623.520922
where:
bonds (distance) C4'-P energy: -121.917
bonds (distance) P-C4' energy: -117.223
flat angles C4'-P-C4' energy: -139.320
flat angles P-C4'-P energy: -86.329
tors. eta vs tors. theta energy: -158.731
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: 2, replica: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1587.295730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.295730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.295730 (E_RNA)
where:
Base-Base interactions energy: -1020.293
where: short stacking energy: -513.328
Base-Backbone interact. energy: 3.957
local terms energy: -570.960473
where:
bonds (distance) C4'-P energy: -119.984
bonds (distance) P-C4' energy: -107.078
flat angles C4'-P-C4' energy: -116.707
flat angles P-C4'-P energy: -86.292
tors. eta vs tors. theta energy: -140.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1448.344409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.344409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.344409 (E_RNA)
where:
Base-Base interactions energy: -918.432
where: short stacking energy: -410.344
Base-Backbone interact. energy: -1.890
local terms energy: -528.021717
where:
bonds (distance) C4'-P energy: -116.043
bonds (distance) P-C4' energy: -113.031
flat angles C4'-P-C4' energy: -126.021
flat angles P-C4'-P energy: -76.561
tors. eta vs tors. theta energy: -96.366
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: 6
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1408.339665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.339665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.339665 (E_RNA)
where:
Base-Base interactions energy: -872.406
where: short stacking energy: -424.366
Base-Backbone interact. energy: -2.366
local terms energy: -533.567161
where:
bonds (distance) C4'-P energy: -110.691
bonds (distance) P-C4' energy: -115.379
flat angles C4'-P-C4' energy: -125.771
flat angles P-C4'-P energy: -67.493
tors. eta vs tors. theta energy: -114.233
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: 2
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1236.579522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.579522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.579522 (E_RNA)
where:
Base-Base interactions energy: -752.949
where: short stacking energy: -375.872
Base-Backbone interact. energy: 0.543
local terms energy: -484.173859
where:
bonds (distance) C4'-P energy: -113.155
bonds (distance) P-C4' energy: -102.768
flat angles C4'-P-C4' energy: -101.330
flat angles P-C4'-P energy: -71.401
tors. eta vs tors. theta energy: -95.520
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: 3
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1184.313017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.313017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.313017 (E_RNA)
where:
Base-Base interactions energy: -729.149
where: short stacking energy: -360.448
Base-Backbone interact. energy: -0.023
local terms energy: -455.140473
where:
bonds (distance) C4'-P energy: -95.655
bonds (distance) P-C4' energy: -97.353
flat angles C4'-P-C4' energy: -110.014
flat angles P-C4'-P energy: -58.179
tors. eta vs tors. theta energy: -93.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -930.624155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.624155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.624155 (E_RNA)
where:
Base-Base interactions energy: -538.868
where: short stacking energy: -256.748
Base-Backbone interact. energy: -1.430
local terms energy: -390.326429
where:
bonds (distance) C4'-P energy: -88.855
bonds (distance) P-C4' energy: -108.544
flat angles C4'-P-C4' energy: -104.117
flat angles P-C4'-P energy: -53.587
tors. eta vs tors. theta energy: -35.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -885.813305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.813305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.813305 (E_RNA)
where:
Base-Base interactions energy: -536.705
where: short stacking energy: -255.209
Base-Backbone interact. energy: -0.871
local terms energy: -348.236565
where:
bonds (distance) C4'-P energy: -80.724
bonds (distance) P-C4' energy: -101.343
flat angles C4'-P-C4' energy: -73.189
flat angles P-C4'-P energy: -70.737
tors. eta vs tors. theta energy: -22.244
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: 9, replica: 5
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -487.448170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.448170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.448170 (E_RNA)
where:
Base-Base interactions energy: -194.720
where: short stacking energy: -152.070
Base-Backbone interact. energy: -1.677
local terms energy: -291.050986
where:
bonds (distance) C4'-P energy: -94.764
bonds (distance) P-C4' energy: -101.469
flat angles C4'-P-C4' energy: -71.500
flat angles P-C4'-P energy: -27.377
tors. eta vs tors. theta energy: 4.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -477.079118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.079118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.079118 (E_RNA)
where:
Base-Base interactions energy: -173.529
where: short stacking energy: -115.573
Base-Backbone interact. energy: 3.062
local terms energy: -306.612159
where:
bonds (distance) C4'-P energy: -112.020
bonds (distance) P-C4' energy: -107.787
flat angles C4'-P-C4' energy: -91.429
flat angles P-C4'-P energy: -39.805
tors. eta vs tors. theta energy: 44.428
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: 7
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -1823.329441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.329441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.329441 (E_RNA)
where:
Base-Base interactions energy: -1225.708
where: short stacking energy: -546.814
Base-Backbone interact. energy: -0.984
local terms energy: -596.637592
where:
bonds (distance) C4'-P energy: -113.234
bonds (distance) P-C4' energy: -111.283
flat angles C4'-P-C4' energy: -139.374
flat angles P-C4'-P energy: -87.973
tors. eta vs tors. theta energy: -144.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -1609.970598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.970598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.970598 (E_RNA)
where:
Base-Base interactions energy: -1039.131
where: short stacking energy: -498.311
Base-Backbone interact. energy: -1.034
local terms energy: -569.805909
where:
bonds (distance) C4'-P energy: -113.226
bonds (distance) P-C4' energy: -112.962
flat angles C4'-P-C4' energy: -125.403
flat angles P-C4'-P energy: -85.407
tors. eta vs tors. theta energy: -132.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1465.251389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.251389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.251389 (E_RNA)
where:
Base-Base interactions energy: -932.382
where: short stacking energy: -432.108
Base-Backbone interact. energy: -2.629
local terms energy: -530.241220
where:
bonds (distance) C4'-P energy: -116.540
bonds (distance) P-C4' energy: -116.354
flat angles C4'-P-C4' energy: -121.309
flat angles P-C4'-P energy: -74.377
tors. eta vs tors. theta energy: -101.661
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: 6
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1401.151200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.151200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.151200 (E_RNA)
where:
Base-Base interactions energy: -901.783
where: short stacking energy: -434.807
Base-Backbone interact. energy: -1.764
local terms energy: -497.604713
where:
bonds (distance) C4'-P energy: -86.553
bonds (distance) P-C4' energy: -95.275
flat angles C4'-P-C4' energy: -114.664
flat angles P-C4'-P energy: -82.203
tors. eta vs tors. theta energy: -118.909
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: 3
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1229.001504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.001504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.001504 (E_RNA)
where:
Base-Base interactions energy: -751.404
where: short stacking energy: -355.755
Base-Backbone interact. energy: -0.157
local terms energy: -477.440554
where:
bonds (distance) C4'-P energy: -112.313
bonds (distance) P-C4' energy: -107.560
flat angles C4'-P-C4' energy: -104.728
flat angles P-C4'-P energy: -66.431
tors. eta vs tors. theta energy: -86.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -1172.011598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.011598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.011598 (E_RNA)
where:
Base-Base interactions energy: -727.685
where: short stacking energy: -361.770
Base-Backbone interact. energy: -2.394
local terms energy: -441.932773
where:
bonds (distance) C4'-P energy: -96.410
bonds (distance) P-C4' energy: -98.058
flat angles C4'-P-C4' energy: -88.632
flat angles P-C4'-P energy: -57.059
tors. eta vs tors. theta energy: -101.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -933.162188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.162188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.162188 (E_RNA)
where:
Base-Base interactions energy: -539.473
where: short stacking energy: -289.952
Base-Backbone interact. energy: -2.749
local terms energy: -390.940958
where:
bonds (distance) C4'-P energy: -80.274
bonds (distance) P-C4' energy: -111.117
flat angles C4'-P-C4' energy: -97.070
flat angles P-C4'-P energy: -46.036
tors. eta vs tors. theta energy: -56.444
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: 10
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -864.622534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.622534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.622534 (E_RNA)
where:
Base-Base interactions energy: -480.383
where: short stacking energy: -241.273
Base-Backbone interact. energy: 0.847
local terms energy: -385.087354
where:
bonds (distance) C4'-P energy: -96.860
bonds (distance) P-C4' energy: -97.481
flat angles C4'-P-C4' energy: -80.236
flat angles P-C4'-P energy: -67.883
tors. eta vs tors. theta energy: -42.628
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: 9, replica: 5
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -555.563507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.563507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.563507 (E_RNA)
where:
Base-Base interactions energy: -205.181
where: short stacking energy: -141.136
Base-Backbone interact. energy: 0.242
local terms energy: -350.625013
where:
bonds (distance) C4'-P energy: -103.139
bonds (distance) P-C4' energy: -113.102
flat angles C4'-P-C4' energy: -75.145
flat angles P-C4'-P energy: -59.601
tors. eta vs tors. theta energy: 0.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -448.255270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.255270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.255270 (E_RNA)
where:
Base-Base interactions energy: -132.832
where: short stacking energy: -96.329
Base-Backbone interact. energy: 1.186
local terms energy: -316.609107
where:
bonds (distance) C4'-P energy: -91.620
bonds (distance) P-C4' energy: -84.654
flat angles C4'-P-C4' energy: -96.054
flat angles P-C4'-P energy: -56.224
tors. eta vs tors. theta energy: 11.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1833.066226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.066226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.066226 (E_RNA)
where:
Base-Base interactions energy: -1238.947
where: short stacking energy: -530.992
Base-Backbone interact. energy: -5.086
local terms energy: -589.032882
where:
bonds (distance) C4'-P energy: -107.979
bonds (distance) P-C4' energy: -120.472
flat angles C4'-P-C4' energy: -130.884
flat angles P-C4'-P energy: -88.034
tors. eta vs tors. theta energy: -141.663
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: 4
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1624.945221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.945221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.945221 (E_RNA)
where:
Base-Base interactions energy: -1049.775
where: short stacking energy: -500.200
Base-Backbone interact. energy: -1.267
local terms energy: -573.903335
where:
bonds (distance) C4'-P energy: -113.239
bonds (distance) P-C4' energy: -119.719
flat angles C4'-P-C4' energy: -117.761
flat angles P-C4'-P energy: -81.225
tors. eta vs tors. theta energy: -141.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1460.586120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.586120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.586120 (E_RNA)
where:
Base-Base interactions energy: -915.003
where: short stacking energy: -437.492
Base-Backbone interact. energy: -2.958
local terms energy: -542.625283
where:
bonds (distance) C4'-P energy: -119.162
bonds (distance) P-C4' energy: -111.577
flat angles C4'-P-C4' energy: -124.284
flat angles P-C4'-P energy: -68.906
tors. eta vs tors. theta energy: -118.697
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: 6
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1382.747094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.747094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.747094 (E_RNA)
where:
Base-Base interactions energy: -899.903
where: short stacking energy: -422.310
Base-Backbone interact. energy: -2.422
local terms energy: -480.422471
where:
bonds (distance) C4'-P energy: -94.852
bonds (distance) P-C4' energy: -114.276
flat angles C4'-P-C4' energy: -107.369
flat angles P-C4'-P energy: -71.284
tors. eta vs tors. theta energy: -92.641
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: 3
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1283.476963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.476963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.476963 (E_RNA)
where:
Base-Base interactions energy: -775.872
where: short stacking energy: -367.420
Base-Backbone interact. energy: -2.312
local terms energy: -505.292588
where:
bonds (distance) C4'-P energy: -102.221
bonds (distance) P-C4' energy: -116.440
flat angles C4'-P-C4' energy: -128.550
flat angles P-C4'-P energy: -61.344
tors. eta vs tors. theta energy: -96.738
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: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1086.084356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.084356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.084356 (E_RNA)
where:
Base-Base interactions energy: -644.264
where: short stacking energy: -302.912
Base-Backbone interact. energy: -0.224
local terms energy: -441.596397
where:
bonds (distance) C4'-P energy: -101.730
bonds (distance) P-C4' energy: -102.875
flat angles C4'-P-C4' energy: -105.205
flat angles P-C4'-P energy: -68.350
tors. eta vs tors. theta energy: -63.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -1019.978910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.978910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.978910 (E_RNA)
where:
Base-Base interactions energy: -611.898
where: short stacking energy: -281.648
Base-Backbone interact. energy: -1.680
local terms energy: -406.400302
where:
bonds (distance) C4'-P energy: -108.051
bonds (distance) P-C4' energy: -106.853
flat angles C4'-P-C4' energy: -98.913
flat angles P-C4'-P energy: -55.862
tors. eta vs tors. theta energy: -36.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -844.083991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.083991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.083991 (E_RNA)
where:
Base-Base interactions energy: -448.820
where: short stacking energy: -250.006
Base-Backbone interact. energy: 0.067
local terms energy: -395.331351
where:
bonds (distance) C4'-P energy: -109.242
bonds (distance) P-C4' energy: -99.870
flat angles C4'-P-C4' energy: -97.595
flat angles P-C4'-P energy: -56.093
tors. eta vs tors. theta energy: -32.532
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: 9, replica: 5
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -569.839168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.839168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.839168 (E_RNA)
where:
Base-Base interactions energy: -242.261
where: short stacking energy: -139.419
Base-Backbone interact. energy: -2.282
local terms energy: -325.296050
where:
bonds (distance) C4'-P energy: -97.079
bonds (distance) P-C4' energy: -102.685
flat angles C4'-P-C4' energy: -102.575
flat angles P-C4'-P energy: -34.443
tors. eta vs tors. theta energy: 11.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -481.084810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.084810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.084810 (E_RNA)
where:
Base-Base interactions energy: -184.582
where: short stacking energy: -112.951
Base-Backbone interact. energy: -5.055
local terms energy: -291.447887
where:
bonds (distance) C4'-P energy: -86.873
bonds (distance) P-C4' energy: -101.208
flat angles C4'-P-C4' energy: -88.461
flat angles P-C4'-P energy: -40.406
tors. eta vs tors. theta energy: 25.500
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: 7
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -1846.860004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.860004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.860004 (E_RNA)
where:
Base-Base interactions energy: -1257.932
where: short stacking energy: -545.440
Base-Backbone interact. energy: 1.377
local terms energy: -590.304757
where:
bonds (distance) C4'-P energy: -112.499
bonds (distance) P-C4' energy: -116.621
flat angles C4'-P-C4' energy: -120.856
flat angles P-C4'-P energy: -94.549
tors. eta vs tors. theta energy: -145.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1647.445483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.445483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.445483 (E_RNA)
where:
Base-Base interactions energy: -1065.638
where: short stacking energy: -502.475
Base-Backbone interact. energy: 1.262
local terms energy: -583.069172
where:
bonds (distance) C4'-P energy: -105.735
bonds (distance) P-C4' energy: -127.549
flat angles C4'-P-C4' energy: -128.796
flat angles P-C4'-P energy: -81.623
tors. eta vs tors. theta energy: -139.365
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: 1
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1440.116784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.116784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.116784 (E_RNA)
where:
Base-Base interactions energy: -914.924
where: short stacking energy: -436.428
Base-Backbone interact. energy: 2.755
local terms energy: -527.947401
where:
bonds (distance) C4'-P energy: -102.849
bonds (distance) P-C4' energy: -119.605
flat angles C4'-P-C4' energy: -106.325
flat angles P-C4'-P energy: -83.596
tors. eta vs tors. theta energy: -115.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1420.907773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.907773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.907773 (E_RNA)
where:
Base-Base interactions energy: -872.891
where: short stacking energy: -421.389
Base-Backbone interact. energy: 2.697
local terms energy: -550.713660
where:
bonds (distance) C4'-P energy: -120.882
bonds (distance) P-C4' energy: -115.474
flat angles C4'-P-C4' energy: -134.444
flat angles P-C4'-P energy: -68.105
tors. eta vs tors. theta energy: -111.808
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: 3
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1312.823900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.823900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.823900 (E_RNA)
where:
Base-Base interactions energy: -831.640
where: short stacking energy: -404.609
Base-Backbone interact. energy: -0.529
local terms energy: -480.655372
where:
bonds (distance) C4'-P energy: -111.339
bonds (distance) P-C4' energy: -95.160
flat angles C4'-P-C4' energy: -91.720
flat angles P-C4'-P energy: -65.523
tors. eta vs tors. theta energy: -116.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1120.263377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.263377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.263377 (E_RNA)
where:
Base-Base interactions energy: -673.594
where: short stacking energy: -311.017
Base-Backbone interact. energy: -1.229
local terms energy: -445.440246
where:
bonds (distance) C4'-P energy: -91.671
bonds (distance) P-C4' energy: -121.016
flat angles C4'-P-C4' energy: -104.849
flat angles P-C4'-P energy: -69.944
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: 7, replica: 9
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -1033.896148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.896148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.896148 (E_RNA)
where:
Base-Base interactions energy: -628.948
where: short stacking energy: -292.652
Base-Backbone interact. energy: -1.606
local terms energy: -403.342155
where:
bonds (distance) C4'-P energy: -94.567
bonds (distance) P-C4' energy: -95.914
flat angles C4'-P-C4' energy: -100.920
flat angles P-C4'-P energy: -75.404
tors. eta vs tors. theta energy: -36.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -842.649459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.649459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.649459 (E_RNA)
where:
Base-Base interactions energy: -465.839
where: short stacking energy: -234.659
Base-Backbone interact. energy: -3.636
local terms energy: -373.173957
where:
bonds (distance) C4'-P energy: -102.381
bonds (distance) P-C4' energy: -91.674
flat angles C4'-P-C4' energy: -90.152
flat angles P-C4'-P energy: -58.022
tors. eta vs tors. theta energy: -30.946
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: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -594.152881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.152881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.152881 (E_RNA)
where:
Base-Base interactions energy: -251.631
where: short stacking energy: -157.622
Base-Backbone interact. energy: -5.396
local terms energy: -337.125993
where:
bonds (distance) C4'-P energy: -95.945
bonds (distance) P-C4' energy: -88.501
flat angles C4'-P-C4' energy: -97.628
flat angles P-C4'-P energy: -57.342
tors. eta vs tors. theta energy: 2.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -525.041472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.041472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.041472 (E_RNA)
where:
Base-Base interactions energy: -233.139
where: short stacking energy: -165.041
Base-Backbone interact. energy: 1.091
local terms energy: -292.992690
where:
bonds (distance) C4'-P energy: -86.263
bonds (distance) P-C4' energy: -84.865
flat angles C4'-P-C4' energy: -90.370
flat angles P-C4'-P energy: -31.964
tors. eta vs tors. theta energy: 0.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1847.212815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.212815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.212815 (E_RNA)
where:
Base-Base interactions energy: -1237.401
where: short stacking energy: -502.966
Base-Backbone interact. energy: -6.069
local terms energy: -603.743199
where:
bonds (distance) C4'-P energy: -124.175
bonds (distance) P-C4' energy: -122.516
flat angles C4'-P-C4' energy: -123.256
flat angles P-C4'-P energy: -88.345
tors. eta vs tors. theta energy: -145.452
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: 39
Temperature: 0.950000
Total energy: -1711.650340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.650340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.650340 (E_RNA)
where:
Base-Base interactions energy: -1140.944
where: short stacking energy: -529.240
Base-Backbone interact. energy: -1.453
local terms energy: -569.252872
where:
bonds (distance) C4'-P energy: -120.700
bonds (distance) P-C4' energy: -114.397
flat angles C4'-P-C4' energy: -118.823
flat angles P-C4'-P energy: -72.744
tors. eta vs tors. theta energy: -142.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1489.511907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.511907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.511907 (E_RNA)
where:
Base-Base interactions energy: -979.655
where: short stacking energy: -449.296
Base-Backbone interact. energy: -1.293
local terms energy: -508.563610
where:
bonds (distance) C4'-P energy: -91.863
bonds (distance) P-C4' energy: -101.839
flat angles C4'-P-C4' energy: -116.303
flat angles P-C4'-P energy: -88.918
tors. eta vs tors. theta energy: -109.640
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: 3
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1449.373407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.373407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.373407 (E_RNA)
where:
Base-Base interactions energy: -915.417
where: short stacking energy: -461.150
Base-Backbone interact. energy: 0.956
local terms energy: -534.911592
where:
bonds (distance) C4'-P energy: -114.958
bonds (distance) P-C4' energy: -104.738
flat angles C4'-P-C4' energy: -110.162
flat angles P-C4'-P energy: -80.596
tors. eta vs tors. theta energy: -124.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1328.749496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.749496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.749496 (E_RNA)
where:
Base-Base interactions energy: -849.306
where: short stacking energy: -413.598
Base-Backbone interact. energy: 5.939
local terms energy: -485.382492
where:
bonds (distance) C4'-P energy: -104.799
bonds (distance) P-C4' energy: -87.828
flat angles C4'-P-C4' energy: -114.508
flat angles P-C4'-P energy: -84.709
tors. eta vs tors. theta energy: -93.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1108.549700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.549700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.549700 (E_RNA)
where:
Base-Base interactions energy: -670.214
where: short stacking energy: -331.505
Base-Backbone interact. energy: 3.621
local terms energy: -441.956865
where:
bonds (distance) C4'-P energy: -92.636
bonds (distance) P-C4' energy: -107.833
flat angles C4'-P-C4' energy: -92.161
flat angles P-C4'-P energy: -72.061
tors. eta vs tors. theta energy: -77.266
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: 39
Temperature: 1.200000
Total energy: -1177.579764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.579764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.579764 (E_RNA)
where:
Base-Base interactions energy: -735.875
where: short stacking energy: -301.212
Base-Backbone interact. energy: 0.639
local terms energy: -442.343042
where:
bonds (distance) C4'-P energy: -118.584
bonds (distance) P-C4' energy: -93.452
flat angles C4'-P-C4' energy: -115.935
flat angles P-C4'-P energy: -53.949
tors. eta vs tors. theta energy: -60.422
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: 8, replica: 10
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -876.004404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.004404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.004404 (E_RNA)
where:
Base-Base interactions energy: -479.655
where: short stacking energy: -243.101
Base-Backbone interact. energy: 4.457
local terms energy: -400.806645
where:
bonds (distance) C4'-P energy: -121.536
bonds (distance) P-C4' energy: -90.975
flat angles C4'-P-C4' energy: -97.205
flat angles P-C4'-P energy: -55.732
tors. eta vs tors. theta energy: -35.357
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: 9, replica: 8
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -588.665107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.665107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.665107 (E_RNA)
where:
Base-Base interactions energy: -260.362
where: short stacking energy: -176.880
Base-Backbone interact. energy: -0.282
local terms energy: -328.021130
where:
bonds (distance) C4'-P energy: -85.398
bonds (distance) P-C4' energy: -116.518
flat angles C4'-P-C4' energy: -80.362
flat angles P-C4'-P energy: -53.466
tors. eta vs tors. theta energy: 7.722
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: 10, replica: 5
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -604.334177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.334177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.334177 (E_RNA)
where:
Base-Base interactions energy: -289.449
where: short stacking energy: -182.760
Base-Backbone interact. energy: 4.548
local terms energy: -319.432912
where:
bonds (distance) C4'-P energy: -84.706
bonds (distance) P-C4' energy: -90.980
flat angles C4'-P-C4' energy: -97.713
flat angles P-C4'-P energy: -45.121
tors. eta vs tors. theta energy: -0.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1817.668105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.668105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.668105 (E_RNA)
where:
Base-Base interactions energy: -1254.320
where: short stacking energy: -520.782
Base-Backbone interact. energy: -2.349
local terms energy: -560.999369
where:
bonds (distance) C4'-P energy: -102.917
bonds (distance) P-C4' energy: -116.793
flat angles C4'-P-C4' energy: -122.063
flat angles P-C4'-P energy: -76.754
tors. eta vs tors. theta energy: -142.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1684.875645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.875645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.875645 (E_RNA)
where:
Base-Base interactions energy: -1109.973
where: short stacking energy: -502.454
Base-Backbone interact. energy: -2.408
local terms energy: -572.495153
where:
bonds (distance) C4'-P energy: -111.413
bonds (distance) P-C4' energy: -100.315
flat angles C4'-P-C4' energy: -131.158
flat angles P-C4'-P energy: -81.624
tors. eta vs tors. theta energy: -147.985
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: 3, replica: 1
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1469.460393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.460393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.460393 (E_RNA)
where:
Base-Base interactions energy: -914.402
where: short stacking energy: -397.184
Base-Backbone interact. energy: -3.289
local terms energy: -551.769266
where:
bonds (distance) C4'-P energy: -114.872
bonds (distance) P-C4' energy: -120.428
flat angles C4'-P-C4' energy: -132.140
flat angles P-C4'-P energy: -73.706
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: 4, replica: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1463.052409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.052409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.052409 (E_RNA)
where:
Base-Base interactions energy: -954.549
where: short stacking energy: -429.841
Base-Backbone interact. energy: -0.662
local terms energy: -507.842223
where:
bonds (distance) C4'-P energy: -97.858
bonds (distance) P-C4' energy: -97.041
flat angles C4'-P-C4' energy: -119.768
flat angles P-C4'-P energy: -78.254
tors. eta vs tors. theta energy: -114.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1332.435268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.435268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.435268 (E_RNA)
where:
Base-Base interactions energy: -870.803
where: short stacking energy: -377.281
Base-Backbone interact. energy: 4.173
local terms energy: -465.805390
where:
bonds (distance) C4'-P energy: -92.818
bonds (distance) P-C4' energy: -117.603
flat angles C4'-P-C4' energy: -112.452
flat angles P-C4'-P energy: -61.403
tors. eta vs tors. theta energy: -81.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1101.359287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.359287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.359287 (E_RNA)
where:
Base-Base interactions energy: -655.679
where: short stacking energy: -301.138
Base-Backbone interact. energy: 0.291
local terms energy: -445.971812
where:
bonds (distance) C4'-P energy: -94.028
bonds (distance) P-C4' energy: -104.369
flat angles C4'-P-C4' energy: -111.394
flat angles P-C4'-P energy: -69.735
tors. eta vs tors. theta energy: -66.446
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: 9
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -1159.033014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.033014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.033014 (E_RNA)
where:
Base-Base interactions energy: -741.296
where: short stacking energy: -317.437
Base-Backbone interact. energy: -3.615
local terms energy: -414.121728
where:
bonds (distance) C4'-P energy: -90.148
bonds (distance) P-C4' energy: -105.497
flat angles C4'-P-C4' energy: -104.156
flat angles P-C4'-P energy: -51.092
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: 8, replica: 10
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -869.704427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.704427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.704427 (E_RNA)
where:
Base-Base interactions energy: -483.341
where: short stacking energy: -260.886
Base-Backbone interact. energy: -0.501
local terms energy: -385.862544
where:
bonds (distance) C4'-P energy: -107.222
bonds (distance) P-C4' energy: -100.899
flat angles C4'-P-C4' energy: -76.327
flat angles P-C4'-P energy: -66.432
tors. eta vs tors. theta energy: -34.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -563.243973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.243973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.243973 (E_RNA)
where:
Base-Base interactions energy: -218.113
where: short stacking energy: -150.033
Base-Backbone interact. energy: -2.524
local terms energy: -342.607281
where:
bonds (distance) C4'-P energy: -106.270
bonds (distance) P-C4' energy: -117.353
flat angles C4'-P-C4' energy: -90.850
flat angles P-C4'-P energy: -40.865
tors. eta vs tors. theta energy: 12.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -597.670616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.670616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.670616 (E_RNA)
where:
Base-Base interactions energy: -256.466
where: short stacking energy: -167.393
Base-Backbone interact. energy: -0.629
local terms energy: -340.575874
where:
bonds (distance) C4'-P energy: -81.228
bonds (distance) P-C4' energy: -97.508
flat angles C4'-P-C4' energy: -89.263
flat angles P-C4'-P energy: -60.116
tors. eta vs tors. theta energy: -12.460
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: 7
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1844.940004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.940004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.940004 (E_RNA)
where:
Base-Base interactions energy: -1239.361
where: short stacking energy: -550.921
Base-Backbone interact. energy: -2.759
local terms energy: -602.819364
where:
bonds (distance) C4'-P energy: -117.994
bonds (distance) P-C4' energy: -108.572
flat angles C4'-P-C4' energy: -140.983
flat angles P-C4'-P energy: -88.309
tors. eta vs tors. theta energy: -146.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1711.450523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.450523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.450523 (E_RNA)
where:
Base-Base interactions energy: -1135.148
where: short stacking energy: -505.345
Base-Backbone interact. energy: 0.542
local terms energy: -576.845142
where:
bonds (distance) C4'-P energy: -104.519
bonds (distance) P-C4' energy: -111.875
flat angles C4'-P-C4' energy: -130.998
flat angles P-C4'-P energy: -86.126
tors. eta vs tors. theta energy: -143.327
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: 1
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1487.562234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.562234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.562234 (E_RNA)
where:
Base-Base interactions energy: -938.957
where: short stacking energy: -423.823
Base-Backbone interact. energy: -3.061
local terms energy: -545.544850
where:
bonds (distance) C4'-P energy: -101.157
bonds (distance) P-C4' energy: -117.852
flat angles C4'-P-C4' energy: -129.140
flat angles P-C4'-P energy: -79.390
tors. eta vs tors. theta energy: -118.006
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: 4, replica: 3
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1410.492595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.492595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.492595 (E_RNA)
where:
Base-Base interactions energy: -898.182
where: short stacking energy: -438.501
Base-Backbone interact. energy: -1.335
local terms energy: -510.976075
where:
bonds (distance) C4'-P energy: -115.144
bonds (distance) P-C4' energy: -105.368
flat angles C4'-P-C4' energy: -113.850
flat angles P-C4'-P energy: -63.147
tors. eta vs tors. theta energy: -113.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1297.755646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.755646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.755646 (E_RNA)
where:
Base-Base interactions energy: -807.124
where: short stacking energy: -368.097
Base-Backbone interact. energy: -2.316
local terms energy: -488.315661
where:
bonds (distance) C4'-P energy: -112.899
bonds (distance) P-C4' energy: -107.464
flat angles C4'-P-C4' energy: -100.697
flat angles P-C4'-P energy: -63.858
tors. eta vs tors. theta energy: -103.398
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: 6, replica: 9
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1265.462706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.462706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.462706 (E_RNA)
where:
Base-Base interactions energy: -812.634
where: short stacking energy: -369.411
Base-Backbone interact. energy: -3.021
local terms energy: -449.807498
where:
bonds (distance) C4'-P energy: -98.998
bonds (distance) P-C4' energy: -103.224
flat angles C4'-P-C4' energy: -93.300
flat angles P-C4'-P energy: -70.119
tors. eta vs tors. theta energy: -84.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -1033.188744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.188744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.188744 (E_RNA)
where:
Base-Base interactions energy: -610.689
where: short stacking energy: -293.376
Base-Backbone interact. energy: -1.209
local terms energy: -421.291084
where:
bonds (distance) C4'-P energy: -100.576
bonds (distance) P-C4' energy: -110.841
flat angles C4'-P-C4' energy: -97.885
flat angles P-C4'-P energy: -62.965
tors. eta vs tors. theta energy: -49.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -872.337948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.337948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.337948 (E_RNA)
where:
Base-Base interactions energy: -510.298
where: short stacking energy: -257.612
Base-Backbone interact. energy: 3.806
local terms energy: -365.846332
where:
bonds (distance) C4'-P energy: -117.956
bonds (distance) P-C4' energy: -95.446
flat angles C4'-P-C4' energy: -84.903
flat angles P-C4'-P energy: -47.111
tors. eta vs tors. theta energy: -20.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -597.966917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.966917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.966917 (E_RNA)
where:
Base-Base interactions energy: -277.642
where: short stacking energy: -178.000
Base-Backbone interact. energy: -1.567
local terms energy: -318.758734
where:
bonds (distance) C4'-P energy: -94.427
bonds (distance) P-C4' energy: -81.611
flat angles C4'-P-C4' energy: -98.154
flat angles P-C4'-P energy: -51.619
tors. eta vs tors. theta energy: 7.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -631.411054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.411054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.411054 (E_RNA)
where:
Base-Base interactions energy: -327.788
where: short stacking energy: -187.639
Base-Backbone interact. energy: -2.854
local terms energy: -300.768189
where:
bonds (distance) C4'-P energy: -65.613
bonds (distance) P-C4' energy: -95.140
flat angles C4'-P-C4' energy: -83.041
flat angles P-C4'-P energy: -62.578
tors. eta vs tors. theta energy: 5.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1854.190151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.190151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.190151 (E_RNA)
where:
Base-Base interactions energy: -1234.841
where: short stacking energy: -551.334
Base-Backbone interact. energy: -3.617
local terms energy: -615.732495
where:
bonds (distance) C4'-P energy: -122.212
bonds (distance) P-C4' energy: -127.542
flat angles C4'-P-C4' energy: -134.174
flat angles P-C4'-P energy: -83.974
tors. eta vs tors. theta energy: -147.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1680.322176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.322176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.322176 (E_RNA)
where:
Base-Base interactions energy: -1089.177
where: short stacking energy: -515.869
Base-Backbone interact. energy: -3.623
local terms energy: -587.522491
where:
bonds (distance) C4'-P energy: -117.013
bonds (distance) P-C4' energy: -130.616
flat angles C4'-P-C4' energy: -133.876
flat angles P-C4'-P energy: -67.676
tors. eta vs tors. theta energy: -138.342
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: 1
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1480.683911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.683911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.683911 (E_RNA)
where:
Base-Base interactions energy: -967.548
where: short stacking energy: -433.555
Base-Backbone interact. energy: 1.477
local terms energy: -514.612727
where:
bonds (distance) C4'-P energy: -109.788
bonds (distance) P-C4' energy: -111.807
flat angles C4'-P-C4' energy: -111.138
flat angles P-C4'-P energy: -76.947
tors. eta vs tors. theta energy: -104.932
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: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1507.248633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.248633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.248633 (E_RNA)
where:
Base-Base interactions energy: -940.162
where: short stacking energy: -484.651
Base-Backbone interact. energy: -0.119
local terms energy: -566.967231
where:
bonds (distance) C4'-P energy: -117.845
bonds (distance) P-C4' energy: -117.148
flat angles C4'-P-C4' energy: -122.710
flat angles P-C4'-P energy: -77.636
tors. eta vs tors. theta energy: -131.628
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: 6
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1361.823019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.823019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.823019 (E_RNA)
where:
Base-Base interactions energy: -883.279
where: short stacking energy: -421.094
Base-Backbone interact. energy: 0.900
local terms energy: -479.444558
where:
bonds (distance) C4'-P energy: -97.956
bonds (distance) P-C4' energy: -93.104
flat angles C4'-P-C4' energy: -112.990
flat angles P-C4'-P energy: -73.985
tors. eta vs tors. theta energy: -101.410
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: 9
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1296.367098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.367098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.367098 (E_RNA)
where:
Base-Base interactions energy: -820.326
where: short stacking energy: -353.923
Base-Backbone interact. energy: -3.558
local terms energy: -472.483267
where:
bonds (distance) C4'-P energy: -103.423
bonds (distance) P-C4' energy: -102.260
flat angles C4'-P-C4' energy: -112.743
flat angles P-C4'-P energy: -61.175
tors. eta vs tors. theta energy: -92.882
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: 2
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -928.740625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.740625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.740625 (E_RNA)
where:
Base-Base interactions energy: -549.186
where: short stacking energy: -274.490
Base-Backbone interact. energy: -2.515
local terms energy: -377.038946
where:
bonds (distance) C4'-P energy: -99.250
bonds (distance) P-C4' energy: -106.047
flat angles C4'-P-C4' energy: -77.456
flat angles P-C4'-P energy: -49.731
tors. eta vs tors. theta energy: -44.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -857.386611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.386611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.386611 (E_RNA)
where:
Base-Base interactions energy: -464.055
where: short stacking energy: -253.592
Base-Backbone interact. energy: 5.774
local terms energy: -399.104799
where:
bonds (distance) C4'-P energy: -104.243
bonds (distance) P-C4' energy: -102.827
flat angles C4'-P-C4' energy: -101.729
flat angles P-C4'-P energy: -50.213
tors. eta vs tors. theta energy: -40.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -655.222981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.222981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.222981 (E_RNA)
where:
Base-Base interactions energy: -302.151
where: short stacking energy: -156.894
Base-Backbone interact. energy: -1.083
local terms energy: -351.988299
where:
bonds (distance) C4'-P energy: -97.053
bonds (distance) P-C4' energy: -117.684
flat angles C4'-P-C4' energy: -93.379
flat angles P-C4'-P energy: -48.689
tors. eta vs tors. theta energy: 4.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -637.253627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.253627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.253627 (E_RNA)
where:
Base-Base interactions energy: -336.453
where: short stacking energy: -171.559
Base-Backbone interact. energy: 0.165
local terms energy: -300.966119
where:
bonds (distance) C4'-P energy: -92.111
bonds (distance) P-C4' energy: -92.577
flat angles C4'-P-C4' energy: -83.476
flat angles P-C4'-P energy: -46.094
tors. eta vs tors. theta energy: 13.292
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: 7
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1839.595702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.595702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.595702 (E_RNA)
where:
Base-Base interactions energy: -1254.627
where: short stacking energy: -518.286
Base-Backbone interact. energy: -1.629
local terms energy: -583.339639
where:
bonds (distance) C4'-P energy: -103.706
bonds (distance) P-C4' energy: -128.565
flat angles C4'-P-C4' energy: -125.499
flat angles P-C4'-P energy: -79.857
tors. eta vs tors. theta energy: -145.713
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: 43
Temperature: 0.950000
Total energy: -1661.294168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.294168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.294168 (E_RNA)
where:
Base-Base interactions energy: -1077.269
where: short stacking energy: -519.100
Base-Backbone interact. energy: -0.494
local terms energy: -583.531335
where:
bonds (distance) C4'-P energy: -125.461
bonds (distance) P-C4' energy: -113.528
flat angles C4'-P-C4' energy: -122.847
flat angles P-C4'-P energy: -77.817
tors. eta vs tors. theta energy: -143.879
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: 1
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1494.193355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.193355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.193355 (E_RNA)
where:
Base-Base interactions energy: -989.909
where: short stacking energy: -422.298
Base-Backbone interact. energy: -0.511
local terms energy: -503.773409
where:
bonds (distance) C4'-P energy: -106.208
bonds (distance) P-C4' energy: -107.800
flat angles C4'-P-C4' energy: -106.813
flat angles P-C4'-P energy: -83.844
tors. eta vs tors. theta energy: -99.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1494.912914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.912914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.912914 (E_RNA)
where:
Base-Base interactions energy: -927.882
where: short stacking energy: -464.686
Base-Backbone interact. energy: -1.848
local terms energy: -565.183777
where:
bonds (distance) C4'-P energy: -108.004
bonds (distance) P-C4' energy: -107.996
flat angles C4'-P-C4' energy: -120.960
flat angles P-C4'-P energy: -77.721
tors. eta vs tors. theta energy: -150.503
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: 5, replica: 6
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1380.851680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.851680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.851680 (E_RNA)
where:
Base-Base interactions energy: -873.472
where: short stacking energy: -406.068
Base-Backbone interact. energy: 0.490
local terms energy: -507.869730
where:
bonds (distance) C4'-P energy: -111.602
bonds (distance) P-C4' energy: -112.266
flat angles C4'-P-C4' energy: -108.338
flat angles P-C4'-P energy: -86.284
tors. eta vs tors. theta energy: -89.380
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: 9
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1300.647554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.647554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.647554 (E_RNA)
where:
Base-Base interactions energy: -840.807
where: short stacking energy: -375.434
Base-Backbone interact. energy: -1.946
local terms energy: -457.894241
where:
bonds (distance) C4'-P energy: -89.385
bonds (distance) P-C4' energy: -99.576
flat angles C4'-P-C4' energy: -115.031
flat angles P-C4'-P energy: -73.855
tors. eta vs tors. theta energy: -80.048
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: 2
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -855.958059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.958059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.958059 (E_RNA)
where:
Base-Base interactions energy: -453.740
where: short stacking energy: -272.750
Base-Backbone interact. energy: -0.575
local terms energy: -401.643192
where:
bonds (distance) C4'-P energy: -108.390
bonds (distance) P-C4' energy: -104.626
flat angles C4'-P-C4' energy: -95.952
flat angles P-C4'-P energy: -56.066
tors. eta vs tors. theta energy: -36.609
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: 8, replica: 10
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -785.697084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.697084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.697084 (E_RNA)
where:
Base-Base interactions energy: -417.570
where: short stacking energy: -224.542
Base-Backbone interact. energy: -1.841
local terms energy: -366.285940
where:
bonds (distance) C4'-P energy: -99.766
bonds (distance) P-C4' energy: -106.022
flat angles C4'-P-C4' energy: -90.608
flat angles P-C4'-P energy: -47.943
tors. eta vs tors. theta energy: -21.947
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: 9, replica: 5
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -694.612492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.612492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.612492 (E_RNA)
where:
Base-Base interactions energy: -349.397
where: short stacking energy: -196.247
Base-Backbone interact. energy: -0.562
local terms energy: -344.653260
where:
bonds (distance) C4'-P energy: -108.934
bonds (distance) P-C4' energy: -92.711
flat angles C4'-P-C4' energy: -94.333
flat angles P-C4'-P energy: -46.772
tors. eta vs tors. theta energy: -1.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -651.893840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.893840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.893840 (E_RNA)
where:
Base-Base interactions energy: -316.167
where: short stacking energy: -156.318
Base-Backbone interact. energy: 7.711
local terms energy: -343.438092
where:
bonds (distance) C4'-P energy: -105.032
bonds (distance) P-C4' energy: -113.664
flat angles C4'-P-C4' energy: -77.413
flat angles P-C4'-P energy: -64.333
tors. eta vs tors. theta energy: 17.004
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: 7
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -1854.662946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.662946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.662946 (E_RNA)
where:
Base-Base interactions energy: -1233.898
where: short stacking energy: -537.854
Base-Backbone interact. energy: -4.150
local terms energy: -616.615623
where:
bonds (distance) C4'-P energy: -120.014
bonds (distance) P-C4' energy: -125.188
flat angles C4'-P-C4' energy: -133.619
flat angles P-C4'-P energy: -86.935
tors. eta vs tors. theta energy: -150.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1679.256581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.256581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.256581 (E_RNA)
where:
Base-Base interactions energy: -1074.095
where: short stacking energy: -531.487
Base-Backbone interact. energy: 1.113
local terms energy: -606.274370
where:
bonds (distance) C4'-P energy: -119.673
bonds (distance) P-C4' energy: -119.558
flat angles C4'-P-C4' energy: -134.811
flat angles P-C4'-P energy: -83.812
tors. eta vs tors. theta energy: -148.421
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: 3
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1540.188391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.188391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.188391 (E_RNA)
where:
Base-Base interactions energy: -978.926
where: short stacking energy: -490.442
Base-Backbone interact. energy: -0.124
local terms energy: -561.138936
where:
bonds (distance) C4'-P energy: -121.057
bonds (distance) P-C4' energy: -99.009
flat angles C4'-P-C4' energy: -120.724
flat angles P-C4'-P energy: -79.610
tors. eta vs tors. theta energy: -140.739
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: 1
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1451.540505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.540505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.540505 (E_RNA)
where:
Base-Base interactions energy: -941.985
where: short stacking energy: -416.039
Base-Backbone interact. energy: -2.805
local terms energy: -506.750800
where:
bonds (distance) C4'-P energy: -113.074
bonds (distance) P-C4' energy: -103.538
flat angles C4'-P-C4' energy: -114.080
flat angles P-C4'-P energy: -75.147
tors. eta vs tors. theta energy: -100.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1363.093490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.093490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.093490 (E_RNA)
where:
Base-Base interactions energy: -879.050
where: short stacking energy: -403.591
Base-Backbone interact. energy: -0.238
local terms energy: -483.805038
where:
bonds (distance) C4'-P energy: -109.348
bonds (distance) P-C4' energy: -113.658
flat angles C4'-P-C4' energy: -112.800
flat angles P-C4'-P energy: -53.326
tors. eta vs tors. theta energy: -94.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1330.808247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.808247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.808247 (E_RNA)
where:
Base-Base interactions energy: -875.210
where: short stacking energy: -375.461
Base-Backbone interact. energy: -2.468
local terms energy: -453.130175
where:
bonds (distance) C4'-P energy: -96.189
bonds (distance) P-C4' energy: -103.683
flat angles C4'-P-C4' energy: -97.159
flat angles P-C4'-P energy: -65.001
tors. eta vs tors. theta energy: -91.098
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: 10
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -907.086485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.086485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.086485 (E_RNA)
where:
Base-Base interactions energy: -496.613
where: short stacking energy: -267.608
Base-Backbone interact. energy: 0.362
local terms energy: -410.835242
where:
bonds (distance) C4'-P energy: -79.845
bonds (distance) P-C4' energy: -95.951
flat angles C4'-P-C4' energy: -113.534
flat angles P-C4'-P energy: -81.447
tors. eta vs tors. theta energy: -40.059
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: 8, replica: 2
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -697.258813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.258813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.258813 (E_RNA)
where:
Base-Base interactions energy: -328.267
where: short stacking energy: -206.670
Base-Backbone interact. energy: -0.595
local terms energy: -368.396714
where:
bonds (distance) C4'-P energy: -103.020
bonds (distance) P-C4' energy: -105.294
flat angles C4'-P-C4' energy: -94.066
flat angles P-C4'-P energy: -48.835
tors. eta vs tors. theta energy: -17.183
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: 5
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -715.092135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.092135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.092135 (E_RNA)
where:
Base-Base interactions energy: -353.423
where: short stacking energy: -199.995
Base-Backbone interact. energy: -2.041
local terms energy: -359.627879
where:
bonds (distance) C4'-P energy: -100.469
bonds (distance) P-C4' energy: -93.841
flat angles C4'-P-C4' energy: -99.964
flat angles P-C4'-P energy: -55.694
tors. eta vs tors. theta energy: -9.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -611.712827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.712827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.712827 (E_RNA)
where:
Base-Base interactions energy: -299.335
where: short stacking energy: -163.384
Base-Backbone interact. energy: -0.001
local terms energy: -312.376137
where:
bonds (distance) C4'-P energy: -96.832
bonds (distance) P-C4' energy: -110.680
flat angles C4'-P-C4' energy: -56.963
flat angles P-C4'-P energy: -55.467
tors. eta vs tors. theta energy: 7.566
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: 1, replica: 7
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1846.360176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.360176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.360176 (E_RNA)
where:
Base-Base interactions energy: -1269.223
where: short stacking energy: -553.318
Base-Backbone interact. energy: -1.874
local terms energy: -575.263416
where:
bonds (distance) C4'-P energy: -94.222
bonds (distance) P-C4' energy: -105.276
flat angles C4'-P-C4' energy: -128.326
flat angles P-C4'-P energy: -96.691
tors. eta vs tors. theta energy: -150.748
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: 45
Temperature: 0.950000
Total energy: -1640.508166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.508166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.508166 (E_RNA)
where:
Base-Base interactions energy: -1050.794
where: short stacking energy: -470.616
Base-Backbone interact. energy: -0.211
local terms energy: -589.503313
where:
bonds (distance) C4'-P energy: -121.272
bonds (distance) P-C4' energy: -130.220
flat angles C4'-P-C4' energy: -127.617
flat angles P-C4'-P energy: -75.149
tors. eta vs tors. theta energy: -135.245
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: 3
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1547.938289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.938289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.938289 (E_RNA)
where:
Base-Base interactions energy: -975.283
where: short stacking energy: -499.389
Base-Backbone interact. energy: -1.466
local terms energy: -571.188980
where:
bonds (distance) C4'-P energy: -96.855
bonds (distance) P-C4' energy: -120.107
flat angles C4'-P-C4' energy: -129.653
flat angles P-C4'-P energy: -84.935
tors. eta vs tors. theta energy: -139.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1370.484778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.484778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.484778 (E_RNA)
where:
Base-Base interactions energy: -889.140
where: short stacking energy: -439.048
Base-Backbone interact. energy: -2.748
local terms energy: -478.596506
where:
bonds (distance) C4'-P energy: -87.349
bonds (distance) P-C4' energy: -106.752
flat angles C4'-P-C4' energy: -130.370
flat angles P-C4'-P energy: -61.248
tors. eta vs tors. theta energy: -92.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1384.456326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.456326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.456326 (E_RNA)
where:
Base-Base interactions energy: -869.186
where: short stacking energy: -406.314
Base-Backbone interact. energy: -3.528
local terms energy: -511.742484
where:
bonds (distance) C4'-P energy: -117.824
bonds (distance) P-C4' energy: -117.915
flat angles C4'-P-C4' energy: -105.465
flat angles P-C4'-P energy: -74.076
tors. eta vs tors. theta energy: -96.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -1349.436425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.436425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.436425 (E_RNA)
where:
Base-Base interactions energy: -854.215
where: short stacking energy: -369.842
Base-Backbone interact. energy: -3.800
local terms energy: -491.420848
where:
bonds (distance) C4'-P energy: -100.763
bonds (distance) P-C4' energy: -121.023
flat angles C4'-P-C4' energy: -107.644
flat angles P-C4'-P energy: -75.899
tors. eta vs tors. theta energy: -86.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -971.243349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.243349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.243349 (E_RNA)
where:
Base-Base interactions energy: -535.762
where: short stacking energy: -268.152
Base-Backbone interact. energy: -2.104
local terms energy: -433.377006
where:
bonds (distance) C4'-P energy: -110.598
bonds (distance) P-C4' energy: -108.454
flat angles C4'-P-C4' energy: -109.056
flat angles P-C4'-P energy: -61.479
tors. eta vs tors. theta energy: -43.790
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: 45
Temperature: 1.250000
Total energy: -751.017759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.017759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.017759 (E_RNA)
where:
Base-Base interactions energy: -382.664
where: short stacking energy: -224.677
Base-Backbone interact. energy: -1.061
local terms energy: -367.292612
where:
bonds (distance) C4'-P energy: -91.540
bonds (distance) P-C4' energy: -110.114
flat angles C4'-P-C4' energy: -85.155
flat angles P-C4'-P energy: -59.479
tors. eta vs tors. theta energy: -21.005
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: 9, replica: 2
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -657.365168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.365168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.365168 (E_RNA)
where:
Base-Base interactions energy: -313.532
where: short stacking energy: -198.425
Base-Backbone interact. energy: -1.494
local terms energy: -342.339258
where:
bonds (distance) C4'-P energy: -91.173
bonds (distance) P-C4' energy: -93.648
flat angles C4'-P-C4' energy: -85.857
flat angles P-C4'-P energy: -53.992
tors. eta vs tors. theta energy: -17.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -561.962204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.962204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.962204 (E_RNA)
where:
Base-Base interactions energy: -263.265
where: short stacking energy: -153.137
Base-Backbone interact. energy: 0.213
local terms energy: -298.909309
where:
bonds (distance) C4'-P energy: -80.108
bonds (distance) P-C4' energy: -93.595
flat angles C4'-P-C4' energy: -89.333
flat angles P-C4'-P energy: -52.766
tors. eta vs tors. theta energy: 16.892
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: 7
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -1855.944269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.944269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.944269 (E_RNA)
where:
Base-Base interactions energy: -1227.108
where: short stacking energy: -531.531
Base-Backbone interact. energy: -4.413
local terms energy: -624.423781
where:
bonds (distance) C4'-P energy: -119.690
bonds (distance) P-C4' energy: -124.643
flat angles C4'-P-C4' energy: -132.209
flat angles P-C4'-P energy: -96.987
tors. eta vs tors. theta energy: -150.895
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: 2, replica: 4
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1657.407034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.407034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.407034 (E_RNA)
where:
Base-Base interactions energy: -1087.226
where: short stacking energy: -487.481
Base-Backbone interact. energy: -1.249
local terms energy: -568.932722
where:
bonds (distance) C4'-P energy: -112.018
bonds (distance) P-C4' energy: -111.622
flat angles C4'-P-C4' energy: -120.452
flat angles P-C4'-P energy: -85.863
tors. eta vs tors. theta energy: -138.977
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: 3
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1564.494143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.494143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.494143 (E_RNA)
where:
Base-Base interactions energy: -991.714
where: short stacking energy: -491.499
Base-Backbone interact. energy: -2.024
local terms energy: -570.755347
where:
bonds (distance) C4'-P energy: -107.475
bonds (distance) P-C4' energy: -112.546
flat angles C4'-P-C4' energy: -128.974
flat angles P-C4'-P energy: -79.217
tors. eta vs tors. theta energy: -142.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1344.891886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.891886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.891886 (E_RNA)
where:
Base-Base interactions energy: -832.727
where: short stacking energy: -397.213
Base-Backbone interact. energy: -2.142
local terms energy: -510.023135
where:
bonds (distance) C4'-P energy: -109.402
bonds (distance) P-C4' energy: -103.449
flat angles C4'-P-C4' energy: -120.757
flat angles P-C4'-P energy: -78.217
tors. eta vs tors. theta energy: -98.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1385.463764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.463764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.463764 (E_RNA)
where:
Base-Base interactions energy: -894.033
where: short stacking energy: -391.859
Base-Backbone interact. energy: -0.256
local terms energy: -491.175271
where:
bonds (distance) C4'-P energy: -95.469
bonds (distance) P-C4' energy: -99.959
flat angles C4'-P-C4' energy: -103.772
flat angles P-C4'-P energy: -88.214
tors. eta vs tors. theta energy: -103.761
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: 9
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1323.003771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.003771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.003771 (E_RNA)
where:
Base-Base interactions energy: -860.465
where: short stacking energy: -383.733
Base-Backbone interact. energy: -3.844
local terms energy: -458.695041
where:
bonds (distance) C4'-P energy: -95.252
bonds (distance) P-C4' energy: -98.974
flat angles C4'-P-C4' energy: -121.195
flat angles P-C4'-P energy: -67.997
tors. eta vs tors. theta energy: -75.277
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: 10
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -1035.648779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.648779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.648779 (E_RNA)
where:
Base-Base interactions energy: -616.396
where: short stacking energy: -296.513
Base-Backbone interact. energy: -1.037
local terms energy: -418.215648
where:
bonds (distance) C4'-P energy: -90.952
bonds (distance) P-C4' energy: -115.023
flat angles C4'-P-C4' energy: -101.792
flat angles P-C4'-P energy: -64.423
tors. eta vs tors. theta energy: -46.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -725.387282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.387282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.387282 (E_RNA)
where:
Base-Base interactions energy: -385.577
where: short stacking energy: -214.220
Base-Backbone interact. energy: -0.789
local terms energy: -339.021333
where:
bonds (distance) C4'-P energy: -87.539
bonds (distance) P-C4' energy: -99.439
flat angles C4'-P-C4' energy: -100.414
flat angles P-C4'-P energy: -42.108
tors. eta vs tors. theta energy: -9.521
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: 9, replica: 2
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -572.810977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.810977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.810977 (E_RNA)
where:
Base-Base interactions energy: -257.667
where: short stacking energy: -168.463
Base-Backbone interact. energy: 0.088
local terms energy: -315.232174
where:
bonds (distance) C4'-P energy: -90.532
bonds (distance) P-C4' energy: -106.530
flat angles C4'-P-C4' energy: -65.978
flat angles P-C4'-P energy: -54.390
tors. eta vs tors. theta energy: 2.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -534.893287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.893287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.893287 (E_RNA)
where:
Base-Base interactions energy: -217.052
where: short stacking energy: -114.918
Base-Backbone interact. energy: -0.771
local terms energy: -317.070685
where:
bonds (distance) C4'-P energy: -98.815
bonds (distance) P-C4' energy: -86.919
flat angles C4'-P-C4' energy: -79.758
flat angles P-C4'-P energy: -57.801
tors. eta vs tors. theta energy: 6.223
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: 7
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1845.842772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.842772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.842772 (E_RNA)
where:
Base-Base interactions energy: -1248.460
where: short stacking energy: -555.775
Base-Backbone interact. energy: -0.761
local terms energy: -596.622012
where:
bonds (distance) C4'-P energy: -112.324
bonds (distance) P-C4' energy: -129.848
flat angles C4'-P-C4' energy: -123.062
flat angles P-C4'-P energy: -88.422
tors. eta vs tors. theta energy: -142.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1672.572608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.572608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.572608 (E_RNA)
where:
Base-Base interactions energy: -1091.129
where: short stacking energy: -495.142
Base-Backbone interact. energy: -3.333
local terms energy: -578.110837
where:
bonds (distance) C4'-P energy: -108.650
bonds (distance) P-C4' energy: -116.692
flat angles C4'-P-C4' energy: -129.470
flat angles P-C4'-P energy: -86.575
tors. eta vs tors. theta energy: -136.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1516.782067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.782067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.782067 (E_RNA)
where:
Base-Base interactions energy: -942.468
where: short stacking energy: -465.686
Base-Backbone interact. energy: 1.822
local terms energy: -576.135651
where:
bonds (distance) C4'-P energy: -124.794
bonds (distance) P-C4' energy: -126.430
flat angles C4'-P-C4' energy: -117.313
flat angles P-C4'-P energy: -80.844
tors. eta vs tors. theta energy: -126.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1436.346559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.346559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.346559 (E_RNA)
where:
Base-Base interactions energy: -917.767
where: short stacking energy: -418.936
Base-Backbone interact. energy: -3.785
local terms energy: -514.794053
where:
bonds (distance) C4'-P energy: -111.882
bonds (distance) P-C4' energy: -108.137
flat angles C4'-P-C4' energy: -124.820
flat angles P-C4'-P energy: -67.177
tors. eta vs tors. theta energy: -102.778
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: 5, replica: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1288.474748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.474748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.474748 (E_RNA)
where:
Base-Base interactions energy: -789.086
where: short stacking energy: -368.171
Base-Backbone interact. energy: 5.041
local terms energy: -504.429640
where:
bonds (distance) C4'-P energy: -112.342
bonds (distance) P-C4' energy: -110.840
flat angles C4'-P-C4' energy: -118.304
flat angles P-C4'-P energy: -66.073
tors. eta vs tors. theta energy: -96.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1277.648318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.648318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.648318 (E_RNA)
where:
Base-Base interactions energy: -842.719
where: short stacking energy: -366.025
Base-Backbone interact. energy: 0.453
local terms energy: -435.381671
where:
bonds (distance) C4'-P energy: -93.755
bonds (distance) P-C4' energy: -108.861
flat angles C4'-P-C4' energy: -99.186
flat angles P-C4'-P energy: -58.412
tors. eta vs tors. theta energy: -75.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -1046.903628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.903628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.903628 (E_RNA)
where:
Base-Base interactions energy: -623.234
where: short stacking energy: -300.632
Base-Backbone interact. energy: -2.987
local terms energy: -420.682270
where:
bonds (distance) C4'-P energy: -94.586
bonds (distance) P-C4' energy: -101.515
flat angles C4'-P-C4' energy: -106.317
flat angles P-C4'-P energy: -58.719
tors. eta vs tors. theta energy: -59.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -768.594931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.594931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.594931 (E_RNA)
where:
Base-Base interactions energy: -364.154
where: short stacking energy: -211.503
Base-Backbone interact. energy: 3.410
local terms energy: -407.851457
where:
bonds (distance) C4'-P energy: -103.924
bonds (distance) P-C4' energy: -99.020
flat angles C4'-P-C4' energy: -121.060
flat angles P-C4'-P energy: -63.864
tors. eta vs tors. theta energy: -19.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -556.960860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.960860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.960860 (E_RNA)
where:
Base-Base interactions energy: -240.819
where: short stacking energy: -178.910
Base-Backbone interact. energy: 2.188
local terms energy: -318.329706
where:
bonds (distance) C4'-P energy: -90.754
bonds (distance) P-C4' energy: -108.356
flat angles C4'-P-C4' energy: -77.619
flat angles P-C4'-P energy: -47.800
tors. eta vs tors. theta energy: 6.200
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: 10, replica: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -557.685962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.685962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.685962 (E_RNA)
where:
Base-Base interactions energy: -224.955
where: short stacking energy: -155.690
Base-Backbone interact. energy: -1.541
local terms energy: -331.190299
where:
bonds (distance) C4'-P energy: -94.037
bonds (distance) P-C4' energy: -91.736
flat angles C4'-P-C4' energy: -84.174
flat angles P-C4'-P energy: -58.123
tors. eta vs tors. theta energy: -3.122
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: 1, replica: 7
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1864.624005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.624005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.624005 (E_RNA)
where:
Base-Base interactions energy: -1263.744
where: short stacking energy: -558.731
Base-Backbone interact. energy: -2.711
local terms energy: -598.169470
where:
bonds (distance) C4'-P energy: -111.503
bonds (distance) P-C4' energy: -117.228
flat angles C4'-P-C4' energy: -129.462
flat angles P-C4'-P energy: -83.653
tors. eta vs tors. theta energy: -156.324
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: 2, replica: 4
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1728.908581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.908581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.908581 (E_RNA)
where:
Base-Base interactions energy: -1114.043
where: short stacking energy: -507.243
Base-Backbone interact. energy: -3.059
local terms energy: -611.806622
where:
bonds (distance) C4'-P energy: -122.735
bonds (distance) P-C4' energy: -127.670
flat angles C4'-P-C4' energy: -122.419
flat angles P-C4'-P energy: -93.549
tors. eta vs tors. theta energy: -145.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1505.452233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.452233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.452233 (E_RNA)
where:
Base-Base interactions energy: -978.946
where: short stacking energy: -470.850
Base-Backbone interact. energy: 0.406
local terms energy: -526.913113
where:
bonds (distance) C4'-P energy: -108.282
bonds (distance) P-C4' energy: -102.070
flat angles C4'-P-C4' energy: -110.525
flat angles P-C4'-P energy: -84.916
tors. eta vs tors. theta energy: -121.119
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: 4, replica: 6
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1475.216102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.216102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.216102 (E_RNA)
where:
Base-Base interactions energy: -956.879
where: short stacking energy: -418.030
Base-Backbone interact. energy: 0.094
local terms energy: -518.430664
where:
bonds (distance) C4'-P energy: -95.701
bonds (distance) P-C4' energy: -125.169
flat angles C4'-P-C4' energy: -133.447
flat angles P-C4'-P energy: -65.822
tors. eta vs tors. theta energy: -98.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1387.075830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.075830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.075830 (E_RNA)
where:
Base-Base interactions energy: -890.887
where: short stacking energy: -404.967
Base-Backbone interact. energy: -1.749
local terms energy: -494.439629
where:
bonds (distance) C4'-P energy: -98.811
bonds (distance) P-C4' energy: -117.285
flat angles C4'-P-C4' energy: -114.162
flat angles P-C4'-P energy: -72.354
tors. eta vs tors. theta energy: -91.828
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: 1
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1263.667293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.667293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.667293 (E_RNA)
where:
Base-Base interactions energy: -798.820
where: short stacking energy: -348.057
Base-Backbone interact. energy: -3.334
local terms energy: -461.513974
where:
bonds (distance) C4'-P energy: -98.087
bonds (distance) P-C4' energy: -94.202
flat angles C4'-P-C4' energy: -104.167
flat angles P-C4'-P energy: -72.153
tors. eta vs tors. theta energy: -92.905
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: 7, replica: 10
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -1040.679660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.679660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.679660 (E_RNA)
where:
Base-Base interactions energy: -630.452
where: short stacking energy: -296.109
Base-Backbone interact. energy: 0.535
local terms energy: -410.763313
where:
bonds (distance) C4'-P energy: -86.987
bonds (distance) P-C4' energy: -107.858
flat angles C4'-P-C4' energy: -91.684
flat angles P-C4'-P energy: -72.430
tors. eta vs tors. theta energy: -51.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -754.023591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.023591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.023591 (E_RNA)
where:
Base-Base interactions energy: -404.312
where: short stacking energy: -225.124
Base-Backbone interact. energy: -2.246
local terms energy: -347.465791
where:
bonds (distance) C4'-P energy: -98.524
bonds (distance) P-C4' energy: -94.213
flat angles C4'-P-C4' energy: -84.602
flat angles P-C4'-P energy: -48.298
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: 9, replica: 2
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -566.002933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.002933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.002933 (E_RNA)
where:
Base-Base interactions energy: -218.119
where: short stacking energy: -131.556
Base-Backbone interact. energy: 0.193
local terms energy: -348.077421
where:
bonds (distance) C4'-P energy: -101.336
bonds (distance) P-C4' energy: -90.265
flat angles C4'-P-C4' energy: -96.793
flat angles P-C4'-P energy: -54.323
tors. eta vs tors. theta energy: -5.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -501.720968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.720968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.720968 (E_RNA)
where:
Base-Base interactions energy: -184.253
where: short stacking energy: -128.019
Base-Backbone interact. energy: 3.393
local terms energy: -320.861110
where:
bonds (distance) C4'-P energy: -111.428
bonds (distance) P-C4' energy: -99.766
flat angles C4'-P-C4' energy: -73.234
flat angles P-C4'-P energy: -41.804
tors. eta vs tors. theta energy: 5.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1856.302697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.302697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.302697 (E_RNA)
where:
Base-Base interactions energy: -1250.947
where: short stacking energy: -521.145
Base-Backbone interact. energy: -0.337
local terms energy: -605.018987
where:
bonds (distance) C4'-P energy: -118.959
bonds (distance) P-C4' energy: -121.444
flat angles C4'-P-C4' energy: -125.798
flat angles P-C4'-P energy: -87.163
tors. eta vs tors. theta energy: -151.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1720.103033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.103033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.103033 (E_RNA)
where:
Base-Base interactions energy: -1127.887
where: short stacking energy: -506.739
Base-Backbone interact. energy: 1.995
local terms energy: -594.211377
where:
bonds (distance) C4'-P energy: -116.567
bonds (distance) P-C4' energy: -118.233
flat angles C4'-P-C4' energy: -132.771
flat angles P-C4'-P energy: -78.222
tors. eta vs tors. theta energy: -148.418
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: 3
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -1519.792971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.792971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.792971 (E_RNA)
where:
Base-Base interactions energy: -934.857
where: short stacking energy: -467.604
Base-Backbone interact. energy: -0.013
local terms energy: -584.923142
where:
bonds (distance) C4'-P energy: -118.172
bonds (distance) P-C4' energy: -113.195
flat angles C4'-P-C4' energy: -136.725
flat angles P-C4'-P energy: -79.883
tors. eta vs tors. theta energy: -136.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1474.766066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.766066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.766066 (E_RNA)
where:
Base-Base interactions energy: -961.418
where: short stacking energy: -430.759
Base-Backbone interact. energy: 0.479
local terms energy: -513.827213
where:
bonds (distance) C4'-P energy: -103.430
bonds (distance) P-C4' energy: -109.840
flat angles C4'-P-C4' energy: -118.917
flat angles P-C4'-P energy: -68.696
tors. eta vs tors. theta energy: -112.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1391.410432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.410432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.410432 (E_RNA)
where:
Base-Base interactions energy: -902.476
where: short stacking energy: -382.666
Base-Backbone interact. energy: 0.157
local terms energy: -489.091046
where:
bonds (distance) C4'-P energy: -109.066
bonds (distance) P-C4' energy: -102.514
flat angles C4'-P-C4' energy: -111.251
flat angles P-C4'-P energy: -78.217
tors. eta vs tors. theta energy: -88.044
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: 1
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1269.553952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.553952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.553952 (E_RNA)
where:
Base-Base interactions energy: -795.654
where: short stacking energy: -355.942
Base-Backbone interact. energy: -1.408
local terms energy: -472.492331
where:
bonds (distance) C4'-P energy: -122.902
bonds (distance) P-C4' energy: -98.890
flat angles C4'-P-C4' energy: -112.833
flat angles P-C4'-P energy: -62.099
tors. eta vs tors. theta energy: -75.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -1088.179042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.179042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.179042 (E_RNA)
where:
Base-Base interactions energy: -664.131
where: short stacking energy: -308.404
Base-Backbone interact. energy: -2.609
local terms energy: -421.438279
where:
bonds (distance) C4'-P energy: -104.557
bonds (distance) P-C4' energy: -97.411
flat angles C4'-P-C4' energy: -102.954
flat angles P-C4'-P energy: -51.297
tors. eta vs tors. theta energy: -65.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -767.188829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.188829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.188829 (E_RNA)
where:
Base-Base interactions energy: -402.638
where: short stacking energy: -218.411
Base-Backbone interact. energy: -2.669
local terms energy: -361.881817
where:
bonds (distance) C4'-P energy: -98.044
bonds (distance) P-C4' energy: -105.360
flat angles C4'-P-C4' energy: -82.693
flat angles P-C4'-P energy: -57.325
tors. eta vs tors. theta energy: -18.459
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: 2
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -580.935382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.935382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.935382 (E_RNA)
where:
Base-Base interactions energy: -250.557
where: short stacking energy: -154.708
Base-Backbone interact. energy: -1.884
local terms energy: -328.494252
where:
bonds (distance) C4'-P energy: -78.410
bonds (distance) P-C4' energy: -98.829
flat angles C4'-P-C4' energy: -84.214
flat angles P-C4'-P energy: -64.549
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: 10, replica: 8
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -536.714369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.714369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.714369 (E_RNA)
where:
Base-Base interactions energy: -196.307
where: short stacking energy: -125.649
Base-Backbone interact. energy: 0.080
local terms energy: -340.486827
where:
bonds (distance) C4'-P energy: -97.485
bonds (distance) P-C4' energy: -111.752
flat angles C4'-P-C4' energy: -87.784
flat angles P-C4'-P energy: -55.890
tors. eta vs tors. theta energy: 12.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1842.258790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.258790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.258790 (E_RNA)
where:
Base-Base interactions energy: -1221.573
where: short stacking energy: -536.365
Base-Backbone interact. energy: -3.449
local terms energy: -617.236240
where:
bonds (distance) C4'-P energy: -126.090
bonds (distance) P-C4' energy: -123.279
flat angles C4'-P-C4' energy: -137.142
flat angles P-C4'-P energy: -86.096
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: 2, replica: 4
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1764.376223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.376223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.376223 (E_RNA)
where:
Base-Base interactions energy: -1165.502
where: short stacking energy: -527.117
Base-Backbone interact. energy: 1.581
local terms energy: -600.455439
where:
bonds (distance) C4'-P energy: -117.931
bonds (distance) P-C4' energy: -117.465
flat angles C4'-P-C4' energy: -127.738
flat angles P-C4'-P energy: -90.695
tors. eta vs tors. theta energy: -146.627
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: 3
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1537.552649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.552649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.552649 (E_RNA)
where:
Base-Base interactions energy: -969.573
where: short stacking energy: -473.387
Base-Backbone interact. energy: -0.565
local terms energy: -567.414173
where:
bonds (distance) C4'-P energy: -108.541
bonds (distance) P-C4' energy: -115.842
flat angles C4'-P-C4' energy: -124.061
flat angles P-C4'-P energy: -84.418
tors. eta vs tors. theta energy: -134.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1497.205045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.205045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.205045 (E_RNA)
where:
Base-Base interactions energy: -962.965
where: short stacking energy: -476.211
Base-Backbone interact. energy: 1.236
local terms energy: -535.476158
where:
bonds (distance) C4'-P energy: -112.046
bonds (distance) P-C4' energy: -108.568
flat angles C4'-P-C4' energy: -125.189
flat angles P-C4'-P energy: -70.327
tors. eta vs tors. theta energy: -119.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1414.843508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.843508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.843508 (E_RNA)
where:
Base-Base interactions energy: -924.228
where: short stacking energy: -396.995
Base-Backbone interact. energy: -0.326
local terms energy: -490.289132
where:
bonds (distance) C4'-P energy: -102.347
bonds (distance) P-C4' energy: -99.939
flat angles C4'-P-C4' energy: -118.681
flat angles P-C4'-P energy: -73.193
tors. eta vs tors. theta energy: -96.129
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: 1
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1251.611776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.611776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.611776 (E_RNA)
where:
Base-Base interactions energy: -792.932
where: short stacking energy: -353.641
Base-Backbone interact. energy: -0.231
local terms energy: -458.448597
where:
bonds (distance) C4'-P energy: -105.743
bonds (distance) P-C4' energy: -112.819
flat angles C4'-P-C4' energy: -108.557
flat angles P-C4'-P energy: -54.853
tors. eta vs tors. theta energy: -76.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -1062.886549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.886549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.886549 (E_RNA)
where:
Base-Base interactions energy: -646.461
where: short stacking energy: -305.041
Base-Backbone interact. energy: -2.399
local terms energy: -414.026300
where:
bonds (distance) C4'-P energy: -97.307
bonds (distance) P-C4' energy: -98.124
flat angles C4'-P-C4' energy: -102.487
flat angles P-C4'-P energy: -61.142
tors. eta vs tors. theta energy: -54.966
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: 50
Temperature: 1.250000
Total energy: -822.440782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.440782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.440782 (E_RNA)
where:
Base-Base interactions energy: -436.055
where: short stacking energy: -238.141
Base-Backbone interact. energy: 0.121
local terms energy: -386.507421
where:
bonds (distance) C4'-P energy: -104.678
bonds (distance) P-C4' energy: -88.321
flat angles C4'-P-C4' energy: -97.309
flat angles P-C4'-P energy: -60.859
tors. eta vs tors. theta energy: -35.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -607.417299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.417299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.417299 (E_RNA)
where:
Base-Base interactions energy: -265.468
where: short stacking energy: -161.308
Base-Backbone interact. energy: -0.781
local terms energy: -341.167854
where:
bonds (distance) C4'-P energy: -104.474
bonds (distance) P-C4' energy: -98.908
flat angles C4'-P-C4' energy: -84.719
flat angles P-C4'-P energy: -53.284
tors. eta vs tors. theta energy: 0.216
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: 10, replica: 8
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -509.546334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.546334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.546334 (E_RNA)
where:
Base-Base interactions energy: -212.979
where: short stacking energy: -142.024
Base-Backbone interact. energy: -0.781
local terms energy: -295.786264
where:
bonds (distance) C4'-P energy: -93.783
bonds (distance) P-C4' energy: -78.523
flat angles C4'-P-C4' energy: -79.330
flat angles P-C4'-P energy: -51.087
tors. eta vs tors. theta energy: 6.937
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: 7
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1848.624083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.624083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.624083 (E_RNA)
where:
Base-Base interactions energy: -1249.645
where: short stacking energy: -547.834
Base-Backbone interact. energy: -2.906
local terms energy: -596.073881
where:
bonds (distance) C4'-P energy: -105.550
bonds (distance) P-C4' energy: -115.917
flat angles C4'-P-C4' energy: -132.854
flat angles P-C4'-P energy: -90.321
tors. eta vs tors. theta energy: -151.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1611.276471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.276471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.276471 (E_RNA)
where:
Base-Base interactions energy: -1051.257
where: short stacking energy: -505.299
Base-Backbone interact. energy: -2.127
local terms energy: -557.892594
where:
bonds (distance) C4'-P energy: -123.667
bonds (distance) P-C4' energy: -114.691
flat angles C4'-P-C4' energy: -116.363
flat angles P-C4'-P energy: -73.825
tors. eta vs tors. theta energy: -129.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1665.215987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.215987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.215987 (E_RNA)
where:
Base-Base interactions energy: -1100.387
where: short stacking energy: -493.562
Base-Backbone interact. energy: -2.744
local terms energy: -562.085279
where:
bonds (distance) C4'-P energy: -105.062
bonds (distance) P-C4' energy: -122.791
flat angles C4'-P-C4' energy: -122.488
flat angles P-C4'-P energy: -84.541
tors. eta vs tors. theta energy: -127.203
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: 6
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1480.272376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.272376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.272376 (E_RNA)
where:
Base-Base interactions energy: -937.276
where: short stacking energy: -434.056
Base-Backbone interact. energy: -4.169
local terms energy: -538.827605
where:
bonds (distance) C4'-P energy: -107.902
bonds (distance) P-C4' energy: -122.611
flat angles C4'-P-C4' energy: -117.657
flat angles P-C4'-P energy: -79.269
tors. eta vs tors. theta energy: -111.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1477.310069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.310069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.310069 (E_RNA)
where:
Base-Base interactions energy: -967.609
where: short stacking energy: -425.394
Base-Backbone interact. energy: -0.913
local terms energy: -508.787842
where:
bonds (distance) C4'-P energy: -102.712
bonds (distance) P-C4' energy: -113.713
flat angles C4'-P-C4' energy: -105.377
flat angles P-C4'-P energy: -69.948
tors. eta vs tors. theta energy: -117.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1284.910672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.910672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.910672 (E_RNA)
where:
Base-Base interactions energy: -823.980
where: short stacking energy: -389.986
Base-Backbone interact. energy: 4.560
local terms energy: -465.490544
where:
bonds (distance) C4'-P energy: -81.961
bonds (distance) P-C4' energy: -112.254
flat angles C4'-P-C4' energy: -113.319
flat angles P-C4'-P energy: -64.889
tors. eta vs tors. theta energy: -93.068
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: 10
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -1067.339975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.339975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.339975 (E_RNA)
where:
Base-Base interactions energy: -626.946
where: short stacking energy: -290.929
Base-Backbone interact. energy: -0.114
local terms energy: -440.280736
where:
bonds (distance) C4'-P energy: -114.113
bonds (distance) P-C4' energy: -99.961
flat angles C4'-P-C4' energy: -108.051
flat angles P-C4'-P energy: -61.338
tors. eta vs tors. theta energy: -56.817
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: 8, replica: 5
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -816.504469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.504469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.504469 (E_RNA)
where:
Base-Base interactions energy: -455.417
where: short stacking energy: -230.932
Base-Backbone interact. energy: 3.088
local terms energy: -364.175140
where:
bonds (distance) C4'-P energy: -82.579
bonds (distance) P-C4' energy: -104.736
flat angles C4'-P-C4' energy: -99.672
flat angles P-C4'-P energy: -57.722
tors. eta vs tors. theta energy: -19.467
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: 2
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -690.738805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.738805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.738805 (E_RNA)
where:
Base-Base interactions energy: -335.431
where: short stacking energy: -177.953
Base-Backbone interact. energy: 2.542
local terms energy: -357.850393
where:
bonds (distance) C4'-P energy: -84.081
bonds (distance) P-C4' energy: -115.126
flat angles C4'-P-C4' energy: -87.277
flat angles P-C4'-P energy: -53.499
tors. eta vs tors. theta energy: -17.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -526.707701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.707701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.707701 (E_RNA)
where:
Base-Base interactions energy: -224.792
where: short stacking energy: -128.877
Base-Backbone interact. energy: 1.927
local terms energy: -303.842657
where:
bonds (distance) C4'-P energy: -99.506
bonds (distance) P-C4' energy: -91.402
flat angles C4'-P-C4' energy: -76.083
flat angles P-C4'-P energy: -50.235
tors. eta vs tors. theta energy: 13.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1857.535984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.535984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.535984 (E_RNA)
where:
Base-Base interactions energy: -1247.171
where: short stacking energy: -542.944
Base-Backbone interact. energy: -2.664
local terms energy: -607.700972
where:
bonds (distance) C4'-P energy: -118.033
bonds (distance) P-C4' energy: -127.227
flat angles C4'-P-C4' energy: -131.201
flat angles P-C4'-P energy: -84.023
tors. eta vs tors. theta energy: -147.218
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: 3
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1612.915411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.915411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.915411 (E_RNA)
where:
Base-Base interactions energy: -1027.576
where: short stacking energy: -513.041
Base-Backbone interact. energy: -1.031
local terms energy: -584.308911
where:
bonds (distance) C4'-P energy: -113.409
bonds (distance) P-C4' energy: -119.959
flat angles C4'-P-C4' energy: -125.296
flat angles P-C4'-P energy: -81.021
tors. eta vs tors. theta energy: -144.624
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: 4
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1706.097668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.097668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.097668 (E_RNA)
where:
Base-Base interactions energy: -1132.613
where: short stacking energy: -503.173
Base-Backbone interact. energy: -3.786
local terms energy: -569.699018
where:
bonds (distance) C4'-P energy: -110.958
bonds (distance) P-C4' energy: -117.135
flat angles C4'-P-C4' energy: -122.508
flat angles P-C4'-P energy: -86.050
tors. eta vs tors. theta energy: -133.048
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: 4, replica: 6
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1464.316606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.316606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.316606 (E_RNA)
where:
Base-Base interactions energy: -936.453
where: short stacking energy: -415.428
Base-Backbone interact. energy: -1.009
local terms energy: -526.854486
where:
bonds (distance) C4'-P energy: -106.831
bonds (distance) P-C4' energy: -114.939
flat angles C4'-P-C4' energy: -108.754
flat angles P-C4'-P energy: -82.696
tors. eta vs tors. theta energy: -113.634
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: 9
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1450.666840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.666840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.666840 (E_RNA)
where:
Base-Base interactions energy: -955.367
where: short stacking energy: -432.072
Base-Backbone interact. energy: -1.950
local terms energy: -493.350224
where:
bonds (distance) C4'-P energy: -98.164
bonds (distance) P-C4' energy: -106.780
flat angles C4'-P-C4' energy: -103.083
flat angles P-C4'-P energy: -72.289
tors. eta vs tors. theta energy: -113.035
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: 6, replica: 1
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1183.347987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.347987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.347987 (E_RNA)
where:
Base-Base interactions energy: -731.499
where: short stacking energy: -332.854
Base-Backbone interact. energy: 2.854
local terms energy: -454.702310
where:
bonds (distance) C4'-P energy: -104.785
bonds (distance) P-C4' energy: -111.982
flat angles C4'-P-C4' energy: -116.520
flat angles P-C4'-P energy: -55.107
tors. eta vs tors. theta energy: -66.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -1090.353767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.353767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.353767 (E_RNA)
where:
Base-Base interactions energy: -657.806
where: short stacking energy: -296.247
Base-Backbone interact. energy: 0.318
local terms energy: -432.865322
where:
bonds (distance) C4'-P energy: -93.176
bonds (distance) P-C4' energy: -105.418
flat angles C4'-P-C4' energy: -106.314
flat angles P-C4'-P energy: -67.069
tors. eta vs tors. theta energy: -60.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -857.575118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.575118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.575118 (E_RNA)
where:
Base-Base interactions energy: -504.057
where: short stacking energy: -247.820
Base-Backbone interact. energy: 1.242
local terms energy: -354.760374
where:
bonds (distance) C4'-P energy: -83.917
bonds (distance) P-C4' energy: -101.345
flat angles C4'-P-C4' energy: -72.622
flat angles P-C4'-P energy: -70.201
tors. eta vs tors. theta energy: -26.676
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: 9, replica: 2
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -651.326416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.326416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.326416 (E_RNA)
where:
Base-Base interactions energy: -316.677
where: short stacking energy: -178.946
Base-Backbone interact. energy: -2.378
local terms energy: -332.270916
where:
bonds (distance) C4'-P energy: -88.742
bonds (distance) P-C4' energy: -109.365
flat angles C4'-P-C4' energy: -95.231
flat angles P-C4'-P energy: -50.367
tors. eta vs tors. theta energy: 11.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -541.600261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.600261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.600261 (E_RNA)
where:
Base-Base interactions energy: -224.485
where: short stacking energy: -163.819
Base-Backbone interact. energy: -2.229
local terms energy: -314.886926
where:
bonds (distance) C4'-P energy: -86.769
bonds (distance) P-C4' energy: -99.061
flat angles C4'-P-C4' energy: -77.792
flat angles P-C4'-P energy: -55.891
tors. eta vs tors. theta energy: 4.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1852.688290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.688290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.688290 (E_RNA)
where:
Base-Base interactions energy: -1247.581
where: short stacking energy: -564.352
Base-Backbone interact. energy: -1.920
local terms energy: -603.187441
where:
bonds (distance) C4'-P energy: -116.032
bonds (distance) P-C4' energy: -116.740
flat angles C4'-P-C4' energy: -128.876
flat angles P-C4'-P energy: -84.170
tors. eta vs tors. theta energy: -157.369
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: 2, replica: 4
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1748.646430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.646430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.646430 (E_RNA)
where:
Base-Base interactions energy: -1172.709
where: short stacking energy: -524.992
Base-Backbone interact. energy: 1.727
local terms energy: -577.664014
where:
bonds (distance) C4'-P energy: -119.788
bonds (distance) P-C4' energy: -108.334
flat angles C4'-P-C4' energy: -105.796
flat angles P-C4'-P energy: -94.256
tors. eta vs tors. theta energy: -149.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -1559.787574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.787574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.787574 (E_RNA)
where:
Base-Base interactions energy: -1016.290
where: short stacking energy: -487.858
Base-Backbone interact. energy: -1.442
local terms energy: -542.056092
where:
bonds (distance) C4'-P energy: -102.385
bonds (distance) P-C4' energy: -109.322
flat angles C4'-P-C4' energy: -126.574
flat angles P-C4'-P energy: -71.689
tors. eta vs tors. theta energy: -132.087
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: 4, replica: 6
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1533.482609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.482609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.482609 (E_RNA)
where:
Base-Base interactions energy: -1002.698
where: short stacking energy: -485.794
Base-Backbone interact. energy: -0.291
local terms energy: -530.493759
where:
bonds (distance) C4'-P energy: -117.580
bonds (distance) P-C4' energy: -94.466
flat angles C4'-P-C4' energy: -111.298
flat angles P-C4'-P energy: -72.162
tors. eta vs tors. theta energy: -134.987
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: 53
Temperature: 1.100000
Total energy: -1415.701230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.701230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.701230 (E_RNA)
where:
Base-Base interactions energy: -949.234
where: short stacking energy: -394.253
Base-Backbone interact. energy: -1.784
local terms energy: -464.683321
where:
bonds (distance) C4'-P energy: -87.537
bonds (distance) P-C4' energy: -118.489
flat angles C4'-P-C4' energy: -104.763
flat angles P-C4'-P energy: -74.195
tors. eta vs tors. theta energy: -79.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1189.619262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.619262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.619262 (E_RNA)
where:
Base-Base interactions energy: -723.284
where: short stacking energy: -321.488
Base-Backbone interact. energy: -2.386
local terms energy: -463.949900
where:
bonds (distance) C4'-P energy: -117.591
bonds (distance) P-C4' energy: -110.434
flat angles C4'-P-C4' energy: -92.985
flat angles P-C4'-P energy: -65.696
tors. eta vs tors. theta energy: -77.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -1126.231864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.231864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.231864 (E_RNA)
where:
Base-Base interactions energy: -679.208
where: short stacking energy: -332.874
Base-Backbone interact. energy: -1.513
local terms energy: -445.511362
where:
bonds (distance) C4'-P energy: -100.273
bonds (distance) P-C4' energy: -105.951
flat angles C4'-P-C4' energy: -99.536
flat angles P-C4'-P energy: -68.368
tors. eta vs tors. theta energy: -71.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -945.260296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.260296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.260296 (E_RNA)
where:
Base-Base interactions energy: -577.135
where: short stacking energy: -268.686
Base-Backbone interact. energy: -3.472
local terms energy: -364.652581
where:
bonds (distance) C4'-P energy: -95.669
bonds (distance) P-C4' energy: -79.776
flat angles C4'-P-C4' energy: -81.192
flat angles P-C4'-P energy: -61.733
tors. eta vs tors. theta energy: -46.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -607.386959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.386959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.386959 (E_RNA)
where:
Base-Base interactions energy: -263.688
where: short stacking energy: -162.738
Base-Backbone interact. energy: 1.259
local terms energy: -344.957290
where:
bonds (distance) C4'-P energy: -105.113
bonds (distance) P-C4' energy: -112.700
flat angles C4'-P-C4' energy: -90.188
flat angles P-C4'-P energy: -46.858
tors. eta vs tors. theta energy: 9.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -489.631354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.631354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.631354 (E_RNA)
where:
Base-Base interactions energy: -192.679
where: short stacking energy: -128.902
Base-Backbone interact. energy: 3.923
local terms energy: -300.874784
where:
bonds (distance) C4'-P energy: -97.531
bonds (distance) P-C4' energy: -98.621
flat angles C4'-P-C4' energy: -90.555
flat angles P-C4'-P energy: -47.837
tors. eta vs tors. theta energy: 33.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1856.451162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.451162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.451162 (E_RNA)
where:
Base-Base interactions energy: -1228.200
where: short stacking energy: -558.480
Base-Backbone interact. energy: 6.157
local terms energy: -634.408370
where:
bonds (distance) C4'-P energy: -125.305
bonds (distance) P-C4' energy: -123.543
flat angles C4'-P-C4' energy: -139.946
flat angles P-C4'-P energy: -96.027
tors. eta vs tors. theta energy: -149.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1737.065336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.065336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.065336 (E_RNA)
where:
Base-Base interactions energy: -1150.539
where: short stacking energy: -521.145
Base-Backbone interact. energy: -3.764
local terms energy: -582.762349
where:
bonds (distance) C4'-P energy: -124.357
bonds (distance) P-C4' energy: -119.749
flat angles C4'-P-C4' energy: -121.426
flat angles P-C4'-P energy: -77.057
tors. eta vs tors. theta energy: -140.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1613.347970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.347970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.347970 (E_RNA)
where:
Base-Base interactions energy: -1066.631
where: short stacking energy: -468.738
Base-Backbone interact. energy: -1.778
local terms energy: -544.939661
where:
bonds (distance) C4'-P energy: -104.824
bonds (distance) P-C4' energy: -116.985
flat angles C4'-P-C4' energy: -123.663
flat angles P-C4'-P energy: -72.073
tors. eta vs tors. theta energy: -127.394
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: 3
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1460.509278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.509278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.509278 (E_RNA)
where:
Base-Base interactions energy: -935.207
where: short stacking energy: -438.208
Base-Backbone interact. energy: -2.281
local terms energy: -523.021695
where:
bonds (distance) C4'-P energy: -100.463
bonds (distance) P-C4' energy: -126.777
flat angles C4'-P-C4' energy: -110.261
flat angles P-C4'-P energy: -81.842
tors. eta vs tors. theta energy: -103.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1398.411315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.411315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.411315 (E_RNA)
where:
Base-Base interactions energy: -903.800
where: short stacking energy: -387.883
Base-Backbone interact. energy: -1.899
local terms energy: -492.711555
where:
bonds (distance) C4'-P energy: -115.005
bonds (distance) P-C4' energy: -102.994
flat angles C4'-P-C4' energy: -107.480
flat angles P-C4'-P energy: -79.303
tors. eta vs tors. theta energy: -87.929
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: 1
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1254.624473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.624473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.624473 (E_RNA)
where:
Base-Base interactions energy: -789.652
where: short stacking energy: -364.405
Base-Backbone interact. energy: 1.912
local terms energy: -466.884380
where:
bonds (distance) C4'-P energy: -106.454
bonds (distance) P-C4' energy: -104.140
flat angles C4'-P-C4' energy: -103.321
flat angles P-C4'-P energy: -70.947
tors. eta vs tors. theta energy: -82.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -1076.725107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.725107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.725107 (E_RNA)
where:
Base-Base interactions energy: -651.509
where: short stacking energy: -311.975
Base-Backbone interact. energy: -1.617
local terms energy: -423.599392
where:
bonds (distance) C4'-P energy: -85.962
bonds (distance) P-C4' energy: -95.842
flat angles C4'-P-C4' energy: -117.137
flat angles P-C4'-P energy: -63.996
tors. eta vs tors. theta energy: -60.662
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: 54
Temperature: 1.250000
Total energy: -910.924873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.924873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.924873 (E_RNA)
where:
Base-Base interactions energy: -544.716
where: short stacking energy: -241.769
Base-Backbone interact. energy: 2.354
local terms energy: -368.562563
where:
bonds (distance) C4'-P energy: -82.388
bonds (distance) P-C4' energy: -94.206
flat angles C4'-P-C4' energy: -105.799
flat angles P-C4'-P energy: -48.965
tors. eta vs tors. theta energy: -37.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -609.718678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.718678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.718678 (E_RNA)
where:
Base-Base interactions energy: -280.904
where: short stacking energy: -164.521
Base-Backbone interact. energy: 2.940
local terms energy: -331.754863
where:
bonds (distance) C4'-P energy: -104.612
bonds (distance) P-C4' energy: -89.911
flat angles C4'-P-C4' energy: -79.350
flat angles P-C4'-P energy: -66.803
tors. eta vs tors. theta energy: 8.921
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: 10, replica: 8
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -578.819857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.819857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.819857 (E_RNA)
where:
Base-Base interactions energy: -230.184
where: short stacking energy: -149.894
Base-Backbone interact. energy: 1.889
local terms energy: -350.525313
where:
bonds (distance) C4'-P energy: -89.975
bonds (distance) P-C4' energy: -120.485
flat angles C4'-P-C4' energy: -76.746
flat angles P-C4'-P energy: -65.701
tors. eta vs tors. theta energy: 2.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1846.587398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.587398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.587398 (E_RNA)
where:
Base-Base interactions energy: -1264.763
where: short stacking energy: -550.853
Base-Backbone interact. energy: 0.148
local terms energy: -581.972664
where:
bonds (distance) C4'-P energy: -115.097
bonds (distance) P-C4' energy: -121.704
flat angles C4'-P-C4' energy: -124.049
flat angles P-C4'-P energy: -69.950
tors. eta vs tors. theta energy: -151.172
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: 2, replica: 4
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1753.261328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.261328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.261328 (E_RNA)
where:
Base-Base interactions energy: -1142.138
where: short stacking energy: -509.836
Base-Backbone interact. energy: -4.251
local terms energy: -606.871890
where:
bonds (distance) C4'-P energy: -120.535
bonds (distance) P-C4' energy: -125.013
flat angles C4'-P-C4' energy: -129.320
flat angles P-C4'-P energy: -87.717
tors. eta vs tors. theta energy: -144.287
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: 6
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1657.877281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.877281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.877281 (E_RNA)
where:
Base-Base interactions energy: -1114.957
where: short stacking energy: -518.087
Base-Backbone interact. energy: 1.525
local terms energy: -544.444902
where:
bonds (distance) C4'-P energy: -94.792
bonds (distance) P-C4' energy: -109.274
flat angles C4'-P-C4' energy: -123.109
flat angles P-C4'-P energy: -74.440
tors. eta vs tors. theta energy: -142.829
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: 3
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1442.686163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.686163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.686163 (E_RNA)
where:
Base-Base interactions energy: -916.685
where: short stacking energy: -418.863
Base-Backbone interact. energy: -1.978
local terms energy: -524.023496
where:
bonds (distance) C4'-P energy: -104.579
bonds (distance) P-C4' energy: -109.258
flat angles C4'-P-C4' energy: -118.385
flat angles P-C4'-P energy: -71.144
tors. eta vs tors. theta energy: -120.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1419.808470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.808470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.808470 (E_RNA)
where:
Base-Base interactions energy: -944.487
where: short stacking energy: -402.482
Base-Backbone interact. energy: -4.322
local terms energy: -470.999403
where:
bonds (distance) C4'-P energy: -94.728
bonds (distance) P-C4' energy: -102.231
flat angles C4'-P-C4' energy: -113.809
flat angles P-C4'-P energy: -62.487
tors. eta vs tors. theta energy: -97.745
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: 6, replica: 1
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1220.475049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.475049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.475049 (E_RNA)
where:
Base-Base interactions energy: -761.775
where: short stacking energy: -370.971
Base-Backbone interact. energy: -4.970
local terms energy: -453.730382
where:
bonds (distance) C4'-P energy: -91.432
bonds (distance) P-C4' energy: -99.727
flat angles C4'-P-C4' energy: -110.670
flat angles P-C4'-P energy: -69.479
tors. eta vs tors. theta energy: -82.423
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: 10
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -1096.051292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.051292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.051292 (E_RNA)
where:
Base-Base interactions energy: -647.709
where: short stacking energy: -299.931
Base-Backbone interact. energy: -1.739
local terms energy: -446.603924
where:
bonds (distance) C4'-P energy: -113.915
bonds (distance) P-C4' energy: -96.706
flat angles C4'-P-C4' energy: -106.406
flat angles P-C4'-P energy: -73.762
tors. eta vs tors. theta energy: -55.814
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: 5
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -820.925520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.925520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.925520 (E_RNA)
where:
Base-Base interactions energy: -477.938
where: short stacking energy: -244.383
Base-Backbone interact. energy: 1.012
local terms energy: -343.998856
where:
bonds (distance) C4'-P energy: -82.918
bonds (distance) P-C4' energy: -99.963
flat angles C4'-P-C4' energy: -96.328
flat angles P-C4'-P energy: -40.524
tors. eta vs tors. theta energy: -24.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -613.477304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.477304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.477304 (E_RNA)
where:
Base-Base interactions energy: -286.189
where: short stacking energy: -176.149
Base-Backbone interact. energy: 2.030
local terms energy: -329.318418
where:
bonds (distance) C4'-P energy: -97.342
bonds (distance) P-C4' energy: -104.096
flat angles C4'-P-C4' energy: -69.844
flat angles P-C4'-P energy: -63.033
tors. eta vs tors. theta energy: 4.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -546.843289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.843289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.843289 (E_RNA)
where:
Base-Base interactions energy: -234.619
where: short stacking energy: -159.307
Base-Backbone interact. energy: 2.885
local terms energy: -315.109994
where:
bonds (distance) C4'-P energy: -83.973
bonds (distance) P-C4' energy: -84.840
flat angles C4'-P-C4' energy: -99.669
flat angles P-C4'-P energy: -51.102
tors. eta vs tors. theta energy: 4.474
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: 7
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1852.069868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.069868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.069868 (E_RNA)
where:
Base-Base interactions energy: -1268.871
where: short stacking energy: -552.226
Base-Backbone interact. energy: -0.649
local terms energy: -582.550067
where:
bonds (distance) C4'-P energy: -112.897
bonds (distance) P-C4' energy: -116.944
flat angles C4'-P-C4' energy: -128.572
flat angles P-C4'-P energy: -79.505
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: 2, replica: 4
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1749.488819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.488819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.488819 (E_RNA)
where:
Base-Base interactions energy: -1158.884
where: short stacking energy: -533.105
Base-Backbone interact. energy: -4.888
local terms energy: -585.716865
where:
bonds (distance) C4'-P energy: -112.835
bonds (distance) P-C4' energy: -103.523
flat angles C4'-P-C4' energy: -131.848
flat angles P-C4'-P energy: -87.262
tors. eta vs tors. theta energy: -150.250
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: 3, replica: 6
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1670.561143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.561143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.561143 (E_RNA)
where:
Base-Base interactions energy: -1136.993
where: short stacking energy: -501.791
Base-Backbone interact. energy: -0.242
local terms energy: -533.326151
where:
bonds (distance) C4'-P energy: -106.739
bonds (distance) P-C4' energy: -96.519
flat angles C4'-P-C4' energy: -119.000
flat angles P-C4'-P energy: -72.832
tors. eta vs tors. theta energy: -138.236
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: 3
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1471.673522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.673522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.673522 (E_RNA)
where:
Base-Base interactions energy: -935.118
where: short stacking energy: -415.796
Base-Backbone interact. energy: -0.959
local terms energy: -535.596713
where:
bonds (distance) C4'-P energy: -119.711
bonds (distance) P-C4' energy: -109.823
flat angles C4'-P-C4' energy: -119.473
flat angles P-C4'-P energy: -77.469
tors. eta vs tors. theta energy: -109.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1422.265899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.265899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.265899 (E_RNA)
where:
Base-Base interactions energy: -930.133
where: short stacking energy: -418.420
Base-Backbone interact. energy: -2.502
local terms energy: -489.631433
where:
bonds (distance) C4'-P energy: -102.227
bonds (distance) P-C4' energy: -103.436
flat angles C4'-P-C4' energy: -104.660
flat angles P-C4'-P energy: -79.629
tors. eta vs tors. theta energy: -99.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1204.305706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.305706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.305706 (E_RNA)
where:
Base-Base interactions energy: -740.842
where: short stacking energy: -358.165
Base-Backbone interact. energy: 0.088
local terms energy: -463.551215
where:
bonds (distance) C4'-P energy: -107.047
bonds (distance) P-C4' energy: -98.757
flat angles C4'-P-C4' energy: -110.014
flat angles P-C4'-P energy: -69.859
tors. eta vs tors. theta energy: -77.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -1136.253002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.253002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.253002 (E_RNA)
where:
Base-Base interactions energy: -683.635
where: short stacking energy: -356.097
Base-Backbone interact. energy: -2.307
local terms energy: -450.310834
where:
bonds (distance) C4'-P energy: -103.496
bonds (distance) P-C4' energy: -101.268
flat angles C4'-P-C4' energy: -100.366
flat angles P-C4'-P energy: -58.706
tors. eta vs tors. theta energy: -86.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -871.511580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.511580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.511580 (E_RNA)
where:
Base-Base interactions energy: -477.829
where: short stacking energy: -263.704
Base-Backbone interact. energy: -1.753
local terms energy: -391.929284
where:
bonds (distance) C4'-P energy: -98.998
bonds (distance) P-C4' energy: -93.393
flat angles C4'-P-C4' energy: -93.002
flat angles P-C4'-P energy: -57.912
tors. eta vs tors. theta energy: -48.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -568.045601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.045601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.045601 (E_RNA)
where:
Base-Base interactions energy: -267.611
where: short stacking energy: -155.266
Base-Backbone interact. energy: 7.052
local terms energy: -307.486661
where:
bonds (distance) C4'-P energy: -90.063
bonds (distance) P-C4' energy: -83.815
flat angles C4'-P-C4' energy: -91.878
flat angles P-C4'-P energy: -50.775
tors. eta vs tors. theta energy: 9.045
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: 2
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -619.519014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.519014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.519014 (E_RNA)
where:
Base-Base interactions energy: -323.284
where: short stacking energy: -183.430
Base-Backbone interact. energy: -0.995
local terms energy: -295.239732
where:
bonds (distance) C4'-P energy: -95.430
bonds (distance) P-C4' energy: -82.161
flat angles C4'-P-C4' energy: -79.602
flat angles P-C4'-P energy: -50.294
tors. eta vs tors. theta energy: 12.247
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: 7
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1802.134973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.134973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.134973 (E_RNA)
where:
Base-Base interactions energy: -1212.242
where: short stacking energy: -538.239
Base-Backbone interact. energy: -4.605
local terms energy: -585.288312
where:
bonds (distance) C4'-P energy: -117.050
bonds (distance) P-C4' energy: -115.982
flat angles C4'-P-C4' energy: -122.956
flat angles P-C4'-P energy: -93.932
tors. eta vs tors. theta energy: -135.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1753.954933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.954933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.954933 (E_RNA)
where:
Base-Base interactions energy: -1153.699
where: short stacking energy: -541.774
Base-Backbone interact. energy: -2.627
local terms energy: -597.629566
where:
bonds (distance) C4'-P energy: -107.067
bonds (distance) P-C4' energy: -115.724
flat angles C4'-P-C4' energy: -137.714
flat angles P-C4'-P energy: -87.937
tors. eta vs tors. theta energy: -149.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -1588.594624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.594624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.594624 (E_RNA)
where:
Base-Base interactions energy: -1048.193
where: short stacking energy: -460.827
Base-Backbone interact. energy: 2.046
local terms energy: -542.447845
where:
bonds (distance) C4'-P energy: -124.544
bonds (distance) P-C4' energy: -107.132
flat angles C4'-P-C4' energy: -130.867
flat angles P-C4'-P energy: -74.728
tors. eta vs tors. theta energy: -105.178
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: 9
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1523.509969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.509969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.509969 (E_RNA)
where:
Base-Base interactions energy: -997.054
where: short stacking energy: -439.385
Base-Backbone interact. energy: -3.851
local terms energy: -522.604447
where:
bonds (distance) C4'-P energy: -96.475
bonds (distance) P-C4' energy: -115.979
flat angles C4'-P-C4' energy: -111.776
flat angles P-C4'-P energy: -85.522
tors. eta vs tors. theta energy: -112.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1387.050916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.050916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.050916 (E_RNA)
where:
Base-Base interactions energy: -871.861
where: short stacking energy: -409.585
Base-Backbone interact. energy: -1.801
local terms energy: -513.388512
where:
bonds (distance) C4'-P energy: -92.315
bonds (distance) P-C4' energy: -107.510
flat angles C4'-P-C4' energy: -115.716
flat angles P-C4'-P energy: -82.721
tors. eta vs tors. theta energy: -115.126
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: 6, replica: 1
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1264.803131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.803131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.803131 (E_RNA)
where:
Base-Base interactions energy: -814.073
where: short stacking energy: -358.582
Base-Backbone interact. energy: -0.140
local terms energy: -450.590344
where:
bonds (distance) C4'-P energy: -104.012
bonds (distance) P-C4' energy: -104.142
flat angles C4'-P-C4' energy: -104.599
flat angles P-C4'-P energy: -60.544
tors. eta vs tors. theta energy: -77.293
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: 7, replica: 10
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -1126.929642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.929642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.929642 (E_RNA)
where:
Base-Base interactions energy: -698.238
where: short stacking energy: -308.429
Base-Backbone interact. energy: 0.776
local terms energy: -429.467869
where:
bonds (distance) C4'-P energy: -119.644
bonds (distance) P-C4' energy: -101.981
flat angles C4'-P-C4' energy: -97.739
flat angles P-C4'-P energy: -51.462
tors. eta vs tors. theta energy: -58.643
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: 57
Temperature: 1.250000
Total energy: -856.539161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.539161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.539161 (E_RNA)
where:
Base-Base interactions energy: -457.831
where: short stacking energy: -240.986
Base-Backbone interact. energy: 0.044
local terms energy: -398.751800
where:
bonds (distance) C4'-P energy: -84.691
bonds (distance) P-C4' energy: -98.136
flat angles C4'-P-C4' energy: -97.023
flat angles P-C4'-P energy: -70.919
tors. eta vs tors. theta energy: -47.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -623.721682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.721682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.721682 (E_RNA)
where:
Base-Base interactions energy: -287.061
where: short stacking energy: -170.406
Base-Backbone interact. energy: 2.864
local terms energy: -339.524804
where:
bonds (distance) C4'-P energy: -91.492
bonds (distance) P-C4' energy: -112.923
flat angles C4'-P-C4' energy: -86.395
flat angles P-C4'-P energy: -52.438
tors. eta vs tors. theta energy: 3.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -629.850907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.850907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.850907 (E_RNA)
where:
Base-Base interactions energy: -297.844
where: short stacking energy: -138.308
Base-Backbone interact. energy: 1.216
local terms energy: -333.223018
where:
bonds (distance) C4'-P energy: -111.124
bonds (distance) P-C4' energy: -104.361
flat angles C4'-P-C4' energy: -78.042
flat angles P-C4'-P energy: -46.111
tors. eta vs tors. theta energy: 6.414
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: 7
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1832.816186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.816186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.816186 (E_RNA)
where:
Base-Base interactions energy: -1235.399
where: short stacking energy: -529.848
Base-Backbone interact. energy: -5.082
local terms energy: -592.335044
where:
bonds (distance) C4'-P energy: -124.918
bonds (distance) P-C4' energy: -121.011
flat angles C4'-P-C4' energy: -128.605
flat angles P-C4'-P energy: -68.969
tors. eta vs tors. theta energy: -148.832
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: 4
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1748.813587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.813587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.813587 (E_RNA)
where:
Base-Base interactions energy: -1160.722
where: short stacking energy: -540.349
Base-Backbone interact. energy: -1.435
local terms energy: -586.656430
where:
bonds (distance) C4'-P energy: -113.198
bonds (distance) P-C4' energy: -115.298
flat angles C4'-P-C4' energy: -127.143
flat angles P-C4'-P energy: -81.579
tors. eta vs tors. theta energy: -149.440
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: 3, replica: 6
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1616.961466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.961466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.961466 (E_RNA)
where:
Base-Base interactions energy: -1087.529
where: short stacking energy: -498.939
Base-Backbone interact. energy: -0.324
local terms energy: -529.108330
where:
bonds (distance) C4'-P energy: -105.253
bonds (distance) P-C4' energy: -109.152
flat angles C4'-P-C4' energy: -122.707
flat angles P-C4'-P energy: -66.164
tors. eta vs tors. theta energy: -125.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1563.517039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.517039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.517039 (E_RNA)
where:
Base-Base interactions energy: -1035.184
where: short stacking energy: -454.806
Base-Backbone interact. energy: -0.426
local terms energy: -527.907150
where:
bonds (distance) C4'-P energy: -101.616
bonds (distance) P-C4' energy: -115.018
flat angles C4'-P-C4' energy: -115.516
flat angles P-C4'-P energy: -73.239
tors. eta vs tors. theta energy: -122.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1389.769958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.769958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.769958 (E_RNA)
where:
Base-Base interactions energy: -890.872
where: short stacking energy: -415.678
Base-Backbone interact. energy: -2.935
local terms energy: -495.962833
where:
bonds (distance) C4'-P energy: -97.896
bonds (distance) P-C4' energy: -122.399
flat angles C4'-P-C4' energy: -109.018
flat angles P-C4'-P energy: -60.052
tors. eta vs tors. theta energy: -106.597
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: 1
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1193.513653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.513653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.513653 (E_RNA)
where:
Base-Base interactions energy: -764.307
where: short stacking energy: -344.096
Base-Backbone interact. energy: 1.199
local terms energy: -430.405601
where:
bonds (distance) C4'-P energy: -81.777
bonds (distance) P-C4' energy: -93.807
flat angles C4'-P-C4' energy: -108.166
flat angles P-C4'-P energy: -76.644
tors. eta vs tors. theta energy: -70.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -1053.902781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.902781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.902781 (E_RNA)
where:
Base-Base interactions energy: -602.316
where: short stacking energy: -289.821
Base-Backbone interact. energy: -2.063
local terms energy: -449.523867
where:
bonds (distance) C4'-P energy: -113.305
bonds (distance) P-C4' energy: -120.350
flat angles C4'-P-C4' energy: -107.551
flat angles P-C4'-P energy: -55.166
tors. eta vs tors. theta energy: -53.152
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: 8, replica: 5
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -848.189460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.189460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.189460 (E_RNA)
where:
Base-Base interactions energy: -472.823
where: short stacking energy: -253.773
Base-Backbone interact. energy: -0.462
local terms energy: -374.904118
where:
bonds (distance) C4'-P energy: -94.681
bonds (distance) P-C4' energy: -105.072
flat angles C4'-P-C4' energy: -89.335
flat angles P-C4'-P energy: -49.802
tors. eta vs tors. theta energy: -36.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -624.752283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.752283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.752283 (E_RNA)
where:
Base-Base interactions energy: -296.769
where: short stacking energy: -160.398
Base-Backbone interact. energy: 0.446
local terms energy: -328.428748
where:
bonds (distance) C4'-P energy: -102.781
bonds (distance) P-C4' energy: -83.869
flat angles C4'-P-C4' energy: -96.161
flat angles P-C4'-P energy: -37.225
tors. eta vs tors. theta energy: -8.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -615.441148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.441148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.441148 (E_RNA)
where:
Base-Base interactions energy: -280.344
where: short stacking energy: -164.608
Base-Backbone interact. energy: -0.816
local terms energy: -334.280845
where:
bonds (distance) C4'-P energy: -90.447
bonds (distance) P-C4' energy: -103.527
flat angles C4'-P-C4' energy: -99.324
flat angles P-C4'-P energy: -54.712
tors. eta vs tors. theta energy: 13.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1835.010663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.010663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.010663 (E_RNA)
where:
Base-Base interactions energy: -1243.468
where: short stacking energy: -524.394
Base-Backbone interact. energy: -3.109
local terms energy: -588.433716
where:
bonds (distance) C4'-P energy: -105.874
bonds (distance) P-C4' energy: -114.402
flat angles C4'-P-C4' energy: -133.803
flat angles P-C4'-P energy: -95.271
tors. eta vs tors. theta energy: -139.084
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: 59
Temperature: 0.950000
Total energy: -1773.746658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.746658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.746658 (E_RNA)
where:
Base-Base interactions energy: -1166.947
where: short stacking energy: -516.746
Base-Backbone interact. energy: -2.118
local terms energy: -604.681491
where:
bonds (distance) C4'-P energy: -112.217
bonds (distance) P-C4' energy: -116.381
flat angles C4'-P-C4' energy: -135.074
flat angles P-C4'-P energy: -99.822
tors. eta vs tors. theta energy: -141.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -1626.069336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.069336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.069336 (E_RNA)
where:
Base-Base interactions energy: -1059.163
where: short stacking energy: -485.938
Base-Backbone interact. energy: -0.067
local terms energy: -566.839031
where:
bonds (distance) C4'-P energy: -110.400
bonds (distance) P-C4' energy: -111.558
flat angles C4'-P-C4' energy: -131.937
flat angles P-C4'-P energy: -82.784
tors. eta vs tors. theta energy: -130.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1599.305133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.305133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.305133 (E_RNA)
where:
Base-Base interactions energy: -1083.248
where: short stacking energy: -443.269
Base-Backbone interact. energy: -2.927
local terms energy: -513.129815
where:
bonds (distance) C4'-P energy: -112.015
bonds (distance) P-C4' energy: -99.207
flat angles C4'-P-C4' energy: -122.062
flat angles P-C4'-P energy: -64.853
tors. eta vs tors. theta energy: -114.993
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: 5, replica: 3
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1378.555930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.555930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.555930 (E_RNA)
where:
Base-Base interactions energy: -886.805
where: short stacking energy: -418.509
Base-Backbone interact. energy: 3.240
local terms energy: -494.990595
where:
bonds (distance) C4'-P energy: -89.582
bonds (distance) P-C4' energy: -111.693
flat angles C4'-P-C4' energy: -122.848
flat angles P-C4'-P energy: -69.770
tors. eta vs tors. theta energy: -101.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1223.446273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.446273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.446273 (E_RNA)
where:
Base-Base interactions energy: -783.076
where: short stacking energy: -358.986
Base-Backbone interact. energy: -1.558
local terms energy: -438.811546
where:
bonds (distance) C4'-P energy: -110.767
bonds (distance) P-C4' energy: -101.125
flat angles C4'-P-C4' energy: -102.310
flat angles P-C4'-P energy: -59.637
tors. eta vs tors. theta energy: -64.973
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: 10
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -1145.725852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.725852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.725852 (E_RNA)
where:
Base-Base interactions energy: -707.745
where: short stacking energy: -327.916
Base-Backbone interact. energy: -0.325
local terms energy: -437.656112
where:
bonds (distance) C4'-P energy: -93.369
bonds (distance) P-C4' energy: -114.419
flat angles C4'-P-C4' energy: -95.419
flat angles P-C4'-P energy: -58.457
tors. eta vs tors. theta energy: -75.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -883.032730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.032730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.032730 (E_RNA)
where:
Base-Base interactions energy: -504.673
where: short stacking energy: -246.616
Base-Backbone interact. energy: -5.066
local terms energy: -373.294050
where:
bonds (distance) C4'-P energy: -98.386
bonds (distance) P-C4' energy: -109.747
flat angles C4'-P-C4' energy: -99.808
flat angles P-C4'-P energy: -41.972
tors. eta vs tors. theta energy: -23.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -614.175781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.175781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.175781 (E_RNA)
where:
Base-Base interactions energy: -275.301
where: short stacking energy: -169.008
Base-Backbone interact. energy: 0.342
local terms energy: -339.216080
where:
bonds (distance) C4'-P energy: -79.315
bonds (distance) P-C4' energy: -95.853
flat angles C4'-P-C4' energy: -89.872
flat angles P-C4'-P energy: -67.315
tors. eta vs tors. theta energy: -6.861
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: 10, replica: 8
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -607.982415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.982415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.982415 (E_RNA)
where:
Base-Base interactions energy: -306.221
where: short stacking energy: -189.768
Base-Backbone interact. energy: 0.644
local terms energy: -302.405588
where:
bonds (distance) C4'-P energy: -77.621
bonds (distance) P-C4' energy: -94.141
flat angles C4'-P-C4' energy: -88.558
flat angles P-C4'-P energy: -38.378
tors. eta vs tors. theta energy: -3.709
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: 7
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1867.705626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.705626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.705626 (E_RNA)
where:
Base-Base interactions energy: -1272.597
where: short stacking energy: -557.042
Base-Backbone interact. energy: 1.063
local terms energy: -596.171778
where:
bonds (distance) C4'-P energy: -114.573
bonds (distance) P-C4' energy: -118.317
flat angles C4'-P-C4' energy: -131.304
flat angles P-C4'-P energy: -78.251
tors. eta vs tors. theta energy: -153.728
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: 60
Temperature: 0.950000
Total energy: -1823.726683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.726683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.726683 (E_RNA)
where:
Base-Base interactions energy: -1216.664
where: short stacking energy: -552.095
Base-Backbone interact. energy: -3.114
local terms energy: -603.949119
where:
bonds (distance) C4'-P energy: -113.718
bonds (distance) P-C4' energy: -123.827
flat angles C4'-P-C4' energy: -128.411
flat angles P-C4'-P energy: -87.036
tors. eta vs tors. theta energy: -150.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1579.458285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.458285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.458285 (E_RNA)
where:
Base-Base interactions energy: -1026.902
where: short stacking energy: -462.123
Base-Backbone interact. energy: 2.129
local terms energy: -554.685455
where:
bonds (distance) C4'-P energy: -121.055
bonds (distance) P-C4' energy: -117.103
flat angles C4'-P-C4' energy: -122.548
flat angles P-C4'-P energy: -73.537
tors. eta vs tors. theta energy: -120.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1587.202014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.202014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.202014 (E_RNA)
where:
Base-Base interactions energy: -1062.562
where: short stacking energy: -427.742
Base-Backbone interact. energy: -3.075
local terms energy: -521.564831
where:
bonds (distance) C4'-P energy: -97.118
bonds (distance) P-C4' energy: -102.404
flat angles C4'-P-C4' energy: -123.041
flat angles P-C4'-P energy: -77.621
tors. eta vs tors. theta energy: -121.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1365.659512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.659512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.659512 (E_RNA)
where:
Base-Base interactions energy: -867.608
where: short stacking energy: -373.004
Base-Backbone interact. energy: -2.724
local terms energy: -495.326777
where:
bonds (distance) C4'-P energy: -97.200
bonds (distance) P-C4' energy: -105.251
flat angles C4'-P-C4' energy: -114.680
flat angles P-C4'-P energy: -74.341
tors. eta vs tors. theta energy: -103.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1187.953563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.953563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.953563 (E_RNA)
where:
Base-Base interactions energy: -720.012
where: short stacking energy: -348.279
Base-Backbone interact. energy: 1.118
local terms energy: -469.059754
where:
bonds (distance) C4'-P energy: -98.532
bonds (distance) P-C4' energy: -112.243
flat angles C4'-P-C4' energy: -119.199
flat angles P-C4'-P energy: -57.487
tors. eta vs tors. theta energy: -81.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -1081.304994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.304994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.304994 (E_RNA)
where:
Base-Base interactions energy: -630.431
where: short stacking energy: -294.718
Base-Backbone interact. energy: -1.779
local terms energy: -449.095351
where:
bonds (distance) C4'-P energy: -96.175
bonds (distance) P-C4' energy: -118.982
flat angles C4'-P-C4' energy: -107.963
flat angles P-C4'-P energy: -61.949
tors. eta vs tors. theta energy: -64.027
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: 5
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -877.321310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.321310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.321310 (E_RNA)
where:
Base-Base interactions energy: -500.900
where: short stacking energy: -252.965
Base-Backbone interact. energy: -2.162
local terms energy: -374.259739
where:
bonds (distance) C4'-P energy: -84.764
bonds (distance) P-C4' energy: -86.605
flat angles C4'-P-C4' energy: -102.501
flat angles P-C4'-P energy: -59.214
tors. eta vs tors. theta energy: -41.176
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: 2
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -685.492195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.492195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.492195 (E_RNA)
where:
Base-Base interactions energy: -351.286
where: short stacking energy: -186.838
Base-Backbone interact. energy: 2.255
local terms energy: -336.461541
where:
bonds (distance) C4'-P energy: -83.159
bonds (distance) P-C4' energy: -97.052
flat angles C4'-P-C4' energy: -106.119
flat angles P-C4'-P energy: -44.348
tors. eta vs tors. theta energy: -5.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -623.843177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.843177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.843177 (E_RNA)
where:
Base-Base interactions energy: -293.727
where: short stacking energy: -161.719
Base-Backbone interact. energy: -0.871
local terms energy: -329.244819
where:
bonds (distance) C4'-P energy: -92.332
bonds (distance) P-C4' energy: -104.187
flat angles C4'-P-C4' energy: -90.788
flat angles P-C4'-P energy: -41.579
tors. eta vs tors. theta energy: -0.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1819.454051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.454051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.454051 (E_RNA)
where:
Base-Base interactions energy: -1222.902
where: short stacking energy: -508.340
Base-Backbone interact. energy: -4.523
local terms energy: -592.028791
where:
bonds (distance) C4'-P energy: -133.863
bonds (distance) P-C4' energy: -108.367
flat angles C4'-P-C4' energy: -117.073
flat angles P-C4'-P energy: -91.945
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: 2, replica: 4
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1796.038922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.038922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.038922 (E_RNA)
where:
Base-Base interactions energy: -1185.835
where: short stacking energy: -511.269
Base-Backbone interact. energy: -1.384
local terms energy: -608.820171
where:
bonds (distance) C4'-P energy: -110.045
bonds (distance) P-C4' energy: -121.417
flat angles C4'-P-C4' energy: -128.642
flat angles P-C4'-P energy: -99.336
tors. eta vs tors. theta energy: -149.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1642.930357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.930357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.930357 (E_RNA)
where:
Base-Base interactions energy: -1108.292
where: short stacking energy: -498.379
Base-Backbone interact. energy: -0.596
local terms energy: -534.042371
where:
bonds (distance) C4'-P energy: -105.077
bonds (distance) P-C4' energy: -108.682
flat angles C4'-P-C4' energy: -119.374
flat angles P-C4'-P energy: -68.725
tors. eta vs tors. theta energy: -132.185
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: 9
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1648.566864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.566864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.566864 (E_RNA)
where:
Base-Base interactions energy: -1065.087
where: short stacking energy: -453.956
Base-Backbone interact. energy: -0.790
local terms energy: -582.689021
where:
bonds (distance) C4'-P energy: -120.599
bonds (distance) P-C4' energy: -118.167
flat angles C4'-P-C4' energy: -123.262
flat angles P-C4'-P energy: -91.344
tors. eta vs tors. theta energy: -129.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1358.263349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.263349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.263349 (E_RNA)
where:
Base-Base interactions energy: -856.142
where: short stacking energy: -382.272
Base-Backbone interact. energy: 2.747
local terms energy: -504.868327
where:
bonds (distance) C4'-P energy: -105.601
bonds (distance) P-C4' energy: -100.569
flat angles C4'-P-C4' energy: -126.001
flat angles P-C4'-P energy: -73.343
tors. eta vs tors. theta energy: -99.354
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: 61
Temperature: 1.150000
Total energy: -1184.600419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.600419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.600419 (E_RNA)
where:
Base-Base interactions energy: -724.807
where: short stacking energy: -347.707
Base-Backbone interact. energy: -2.138
local terms energy: -457.655605
where:
bonds (distance) C4'-P energy: -101.865
bonds (distance) P-C4' energy: -116.179
flat angles C4'-P-C4' energy: -114.482
flat angles P-C4'-P energy: -48.848
tors. eta vs tors. theta energy: -76.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1074.302092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.302092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.302092 (E_RNA)
where:
Base-Base interactions energy: -656.036
where: short stacking energy: -288.620
Base-Backbone interact. energy: -2.414
local terms energy: -415.852297
where:
bonds (distance) C4'-P energy: -89.250
bonds (distance) P-C4' energy: -110.046
flat angles C4'-P-C4' energy: -91.475
flat angles P-C4'-P energy: -49.117
tors. eta vs tors. theta energy: -75.965
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: 5
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -908.004763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.004763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.004763 (E_RNA)
where:
Base-Base interactions energy: -511.939
where: short stacking energy: -254.877
Base-Backbone interact. energy: -4.057
local terms energy: -392.008629
where:
bonds (distance) C4'-P energy: -108.690
bonds (distance) P-C4' energy: -107.124
flat angles C4'-P-C4' energy: -93.704
flat angles P-C4'-P energy: -52.816
tors. eta vs tors. theta energy: -29.674
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: 2
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -747.244735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.244735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.244735 (E_RNA)
where:
Base-Base interactions energy: -385.786
where: short stacking energy: -209.821
Base-Backbone interact. energy: 1.902
local terms energy: -363.361196
where:
bonds (distance) C4'-P energy: -94.131
bonds (distance) P-C4' energy: -99.464
flat angles C4'-P-C4' energy: -87.757
flat angles P-C4'-P energy: -55.281
tors. eta vs tors. theta energy: -26.728
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: 8
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -664.161255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.161255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.161255 (E_RNA)
where:
Base-Base interactions energy: -324.316
where: short stacking energy: -173.270
Base-Backbone interact. energy: 1.074
local terms energy: -340.919272
where:
bonds (distance) C4'-P energy: -101.947
bonds (distance) P-C4' energy: -109.364
flat angles C4'-P-C4' energy: -75.836
flat angles P-C4'-P energy: -48.710
tors. eta vs tors. theta energy: -5.063
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: 7
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1822.575837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.575837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.575837 (E_RNA)
where:
Base-Base interactions energy: -1238.315
where: short stacking energy: -521.866
Base-Backbone interact. energy: -1.312
local terms energy: -582.948277
where:
bonds (distance) C4'-P energy: -113.827
bonds (distance) P-C4' energy: -123.301
flat angles C4'-P-C4' energy: -134.488
flat angles P-C4'-P energy: -64.709
tors. eta vs tors. theta energy: -146.624
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: 4
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1814.624452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.624452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.624452 (E_RNA)
where:
Base-Base interactions energy: -1238.084
where: short stacking energy: -527.470
Base-Backbone interact. energy: -2.501
local terms energy: -574.039852
where:
bonds (distance) C4'-P energy: -116.900
bonds (distance) P-C4' energy: -117.944
flat angles C4'-P-C4' energy: -113.973
flat angles P-C4'-P energy: -90.698
tors. eta vs tors. theta energy: -134.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1696.464286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.464286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.464286 (E_RNA)
where:
Base-Base interactions energy: -1144.777
where: short stacking energy: -486.608
Base-Backbone interact. energy: -4.489
local terms energy: -547.197529
where:
bonds (distance) C4'-P energy: -104.677
bonds (distance) P-C4' energy: -114.975
flat angles C4'-P-C4' energy: -114.845
flat angles P-C4'-P energy: -78.366
tors. eta vs tors. theta energy: -134.334
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: 6
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1634.104430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.104430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.104430 (E_RNA)
where:
Base-Base interactions energy: -1090.495
where: short stacking energy: -487.195
Base-Backbone interact. energy: -0.234
local terms energy: -543.374982
where:
bonds (distance) C4'-P energy: -117.305
bonds (distance) P-C4' energy: -103.763
flat angles C4'-P-C4' energy: -115.595
flat angles P-C4'-P energy: -89.324
tors. eta vs tors. theta energy: -117.388
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: 3
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1355.321960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.321960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.321960 (E_RNA)
where:
Base-Base interactions energy: -835.704
where: short stacking energy: -361.546
Base-Backbone interact. energy: -1.326
local terms energy: -518.292297
where:
bonds (distance) C4'-P energy: -108.805
bonds (distance) P-C4' energy: -114.213
flat angles C4'-P-C4' energy: -115.900
flat angles P-C4'-P energy: -76.180
tors. eta vs tors. theta energy: -103.194
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: 1
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1191.736301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.736301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.736301 (E_RNA)
where:
Base-Base interactions energy: -743.376
where: short stacking energy: -371.578
Base-Backbone interact. energy: -1.433
local terms energy: -446.927606
where:
bonds (distance) C4'-P energy: -92.015
bonds (distance) P-C4' energy: -102.987
flat angles C4'-P-C4' energy: -113.597
flat angles P-C4'-P energy: -60.523
tors. eta vs tors. theta energy: -77.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -1039.112737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.112737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.112737 (E_RNA)
where:
Base-Base interactions energy: -640.872
where: short stacking energy: -276.928
Base-Backbone interact. energy: 1.896
local terms energy: -400.137222
where:
bonds (distance) C4'-P energy: -88.920
bonds (distance) P-C4' energy: -108.077
flat angles C4'-P-C4' energy: -90.393
flat angles P-C4'-P energy: -59.536
tors. eta vs tors. theta energy: -53.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -922.215824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.215824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.215824 (E_RNA)
where:
Base-Base interactions energy: -544.529
where: short stacking energy: -255.435
Base-Backbone interact. energy: -2.700
local terms energy: -374.986797
where:
bonds (distance) C4'-P energy: -101.198
bonds (distance) P-C4' energy: -78.173
flat angles C4'-P-C4' energy: -96.043
flat angles P-C4'-P energy: -64.155
tors. eta vs tors. theta energy: -35.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -700.377424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.377424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.377424 (E_RNA)
where:
Base-Base interactions energy: -369.318
where: short stacking energy: -185.436
Base-Backbone interact. energy: -0.754
local terms energy: -330.305726
where:
bonds (distance) C4'-P energy: -91.312
bonds (distance) P-C4' energy: -107.367
flat angles C4'-P-C4' energy: -85.478
flat angles P-C4'-P energy: -36.793
tors. eta vs tors. theta energy: -9.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -612.764102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.764102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.764102 (E_RNA)
where:
Base-Base interactions energy: -304.926
where: short stacking energy: -172.852
Base-Backbone interact. energy: 2.912
local terms energy: -310.749196
where:
bonds (distance) C4'-P energy: -90.622
bonds (distance) P-C4' energy: -105.125
flat angles C4'-P-C4' energy: -88.094
flat angles P-C4'-P energy: -31.252
tors. eta vs tors. theta energy: 4.343
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: 7
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1844.197008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.197008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.197008 (E_RNA)
where:
Base-Base interactions energy: -1270.502
where: short stacking energy: -531.901
Base-Backbone interact. energy: -3.800
local terms energy: -569.894297
where:
bonds (distance) C4'-P energy: -113.817
bonds (distance) P-C4' energy: -122.066
flat angles C4'-P-C4' energy: -114.632
flat angles P-C4'-P energy: -73.693
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: 2, replica: 4
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1797.715094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.715094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.715094 (E_RNA)
where:
Base-Base interactions energy: -1214.537
where: short stacking energy: -516.358
Base-Backbone interact. energy: -3.649
local terms energy: -579.528726
where:
bonds (distance) C4'-P energy: -109.996
bonds (distance) P-C4' energy: -106.802
flat angles C4'-P-C4' energy: -127.519
flat angles P-C4'-P energy: -88.390
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: 3, replica: 9
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1721.977763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.977763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.977763 (E_RNA)
where:
Base-Base interactions energy: -1156.318
where: short stacking energy: -460.259
Base-Backbone interact. energy: -5.814
local terms energy: -559.845174
where:
bonds (distance) C4'-P energy: -111.969
bonds (distance) P-C4' energy: -118.340
flat angles C4'-P-C4' energy: -127.138
flat angles P-C4'-P energy: -74.604
tors. eta vs tors. theta energy: -127.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1623.942316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.942316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.942316 (E_RNA)
where:
Base-Base interactions energy: -1064.462
where: short stacking energy: -487.343
Base-Backbone interact. energy: -0.374
local terms energy: -559.105962
where:
bonds (distance) C4'-P energy: -106.367
bonds (distance) P-C4' energy: -120.624
flat angles C4'-P-C4' energy: -126.766
flat angles P-C4'-P energy: -75.326
tors. eta vs tors. theta energy: -130.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1342.589565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.589565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.589565 (E_RNA)
where:
Base-Base interactions energy: -867.496
where: short stacking energy: -432.772
Base-Backbone interact. energy: -2.932
local terms energy: -472.161790
where:
bonds (distance) C4'-P energy: -103.947
bonds (distance) P-C4' energy: -89.090
flat angles C4'-P-C4' energy: -126.699
flat angles P-C4'-P energy: -68.176
tors. eta vs tors. theta energy: -84.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1206.916372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.916372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.916372 (E_RNA)
where:
Base-Base interactions energy: -754.488
where: short stacking energy: -330.439
Base-Backbone interact. energy: -1.924
local terms energy: -450.504959
where:
bonds (distance) C4'-P energy: -95.129
bonds (distance) P-C4' energy: -102.562
flat angles C4'-P-C4' energy: -110.469
flat angles P-C4'-P energy: -68.810
tors. eta vs tors. theta energy: -73.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -1069.839061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.839061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.839061 (E_RNA)
where:
Base-Base interactions energy: -636.172
where: short stacking energy: -308.059
Base-Backbone interact. energy: -2.986
local terms energy: -430.681748
where:
bonds (distance) C4'-P energy: -102.618
bonds (distance) P-C4' energy: -110.875
flat angles C4'-P-C4' energy: -103.681
flat angles P-C4'-P energy: -57.645
tors. eta vs tors. theta energy: -55.863
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: 63
Temperature: 1.250000
Total energy: -884.001265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.001265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.001265 (E_RNA)
where:
Base-Base interactions energy: -508.450
where: short stacking energy: -249.281
Base-Backbone interact. energy: -1.688
local terms energy: -373.863590
where:
bonds (distance) C4'-P energy: -88.156
bonds (distance) P-C4' energy: -100.205
flat angles C4'-P-C4' energy: -101.135
flat angles P-C4'-P energy: -49.324
tors. eta vs tors. theta energy: -35.043
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: 2
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -688.082807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.082807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.082807 (E_RNA)
where:
Base-Base interactions energy: -353.827
where: short stacking energy: -174.358
Base-Backbone interact. energy: 4.403
local terms energy: -338.658765
where:
bonds (distance) C4'-P energy: -94.722
bonds (distance) P-C4' energy: -112.506
flat angles C4'-P-C4' energy: -85.627
flat angles P-C4'-P energy: -47.089
tors. eta vs tors. theta energy: 1.287
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: 8
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -628.595816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.595816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.595816 (E_RNA)
where:
Base-Base interactions energy: -308.450
where: short stacking energy: -161.631
Base-Backbone interact. energy: 5.927
local terms energy: -326.072535
where:
bonds (distance) C4'-P energy: -99.775
bonds (distance) P-C4' energy: -106.992
flat angles C4'-P-C4' energy: -84.835
flat angles P-C4'-P energy: -37.318
tors. eta vs tors. theta energy: 2.847
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: 7
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1843.123970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.123970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.123970 (E_RNA)
where:
Base-Base interactions energy: -1236.509
where: short stacking energy: -545.676
Base-Backbone interact. energy: -2.121
local terms energy: -604.494103
where:
bonds (distance) C4'-P energy: -128.915
bonds (distance) P-C4' energy: -125.246
flat angles C4'-P-C4' energy: -121.079
flat angles P-C4'-P energy: -84.139
tors. eta vs tors. theta energy: -145.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1810.486163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.486163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.486163 (E_RNA)
where:
Base-Base interactions energy: -1214.340
where: short stacking energy: -537.384
Base-Backbone interact. energy: -1.728
local terms energy: -594.418463
where:
bonds (distance) C4'-P energy: -111.135
bonds (distance) P-C4' energy: -113.842
flat angles C4'-P-C4' energy: -131.960
flat angles P-C4'-P energy: -91.720
tors. eta vs tors. theta energy: -145.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -1705.637833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.637833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.637833 (E_RNA)
where:
Base-Base interactions energy: -1171.078
where: short stacking energy: -478.597
Base-Backbone interact. energy: -3.760
local terms energy: -530.800132
where:
bonds (distance) C4'-P energy: -111.744
bonds (distance) P-C4' energy: -93.784
flat angles C4'-P-C4' energy: -116.757
flat angles P-C4'-P energy: -80.989
tors. eta vs tors. theta energy: -127.526
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: 4, replica: 6
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1644.108624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.108624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.108624 (E_RNA)
where:
Base-Base interactions energy: -1097.838
where: short stacking energy: -498.716
Base-Backbone interact. energy: 0.201
local terms energy: -546.471844
where:
bonds (distance) C4'-P energy: -103.360
bonds (distance) P-C4' energy: -106.216
flat angles C4'-P-C4' energy: -122.907
flat angles P-C4'-P energy: -69.914
tors. eta vs tors. theta energy: -144.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1415.641733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.641733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.641733 (E_RNA)
where:
Base-Base interactions energy: -910.718
where: short stacking energy: -447.992
Base-Backbone interact. energy: -1.922
local terms energy: -503.001470
where:
bonds (distance) C4'-P energy: -104.540
bonds (distance) P-C4' energy: -90.831
flat angles C4'-P-C4' energy: -124.810
flat angles P-C4'-P energy: -67.505
tors. eta vs tors. theta energy: -115.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1195.808477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.808477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.808477 (E_RNA)
where:
Base-Base interactions energy: -732.852
where: short stacking energy: -370.176
Base-Backbone interact. energy: -0.172
local terms energy: -462.785179
where:
bonds (distance) C4'-P energy: -97.451
bonds (distance) P-C4' energy: -108.355
flat angles C4'-P-C4' energy: -93.516
flat angles P-C4'-P energy: -71.353
tors. eta vs tors. theta energy: -92.110
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: 10
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -1029.974045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.974045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.974045 (E_RNA)
where:
Base-Base interactions energy: -629.977
where: short stacking energy: -292.785
Base-Backbone interact. energy: -1.053
local terms energy: -398.944179
where:
bonds (distance) C4'-P energy: -94.576
bonds (distance) P-C4' energy: -92.739
flat angles C4'-P-C4' energy: -104.117
flat angles P-C4'-P energy: -64.347
tors. eta vs tors. theta energy: -43.165
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: 8, replica: 5
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -871.482339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.482339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.482339 (E_RNA)
where:
Base-Base interactions energy: -478.940
where: short stacking energy: -227.459
Base-Backbone interact. energy: 4.159
local terms energy: -396.701807
where:
bonds (distance) C4'-P energy: -87.777
bonds (distance) P-C4' energy: -116.934
flat angles C4'-P-C4' energy: -95.447
flat angles P-C4'-P energy: -60.427
tors. eta vs tors. theta energy: -36.117
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: 2
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -757.732277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.732277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.732277 (E_RNA)
where:
Base-Base interactions energy: -401.281
where: short stacking energy: -234.282
Base-Backbone interact. energy: 4.861
local terms energy: -361.311814
where:
bonds (distance) C4'-P energy: -106.362
bonds (distance) P-C4' energy: -85.617
flat angles C4'-P-C4' energy: -78.921
flat angles P-C4'-P energy: -52.606
tors. eta vs tors. theta energy: -37.806
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: 10, replica: 8
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -624.532025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.532025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.532025 (E_RNA)
where:
Base-Base interactions energy: -326.970
where: short stacking energy: -183.004
Base-Backbone interact. energy: -1.751
local terms energy: -295.810189
where:
bonds (distance) C4'-P energy: -74.529
bonds (distance) P-C4' energy: -91.195
flat angles C4'-P-C4' energy: -71.698
flat angles P-C4'-P energy: -55.697
tors. eta vs tors. theta energy: -2.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1818.791852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.791852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.791852 (E_RNA)
where:
Base-Base interactions energy: -1207.689
where: short stacking energy: -518.956
Base-Backbone interact. energy: 1.905
local terms energy: -613.007857
where:
bonds (distance) C4'-P energy: -126.540
bonds (distance) P-C4' energy: -115.500
flat angles C4'-P-C4' energy: -135.476
flat angles P-C4'-P energy: -91.228
tors. eta vs tors. theta energy: -144.263
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: 2, replica: 4
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1800.607368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.607368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.607368 (E_RNA)
where:
Base-Base interactions energy: -1202.870
where: short stacking energy: -514.478
Base-Backbone interact. energy: -2.064
local terms energy: -595.673154
where:
bonds (distance) C4'-P energy: -108.169
bonds (distance) P-C4' energy: -123.778
flat angles C4'-P-C4' energy: -132.753
flat angles P-C4'-P energy: -92.843
tors. eta vs tors. theta energy: -138.130
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: 3, replica: 9
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -1774.880685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.880685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.880685 (E_RNA)
where:
Base-Base interactions energy: -1215.489
where: short stacking energy: -495.414
Base-Backbone interact. energy: -1.830
local terms energy: -557.562117
where:
bonds (distance) C4'-P energy: -105.896
bonds (distance) P-C4' energy: -121.867
flat angles C4'-P-C4' energy: -120.026
flat angles P-C4'-P energy: -86.328
tors. eta vs tors. theta energy: -123.445
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: 65
Temperature: 1.050000
Total energy: -1619.059375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.059375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.059375 (E_RNA)
where:
Base-Base interactions energy: -1075.410
where: short stacking energy: -484.729
Base-Backbone interact. energy: 1.518
local terms energy: -545.167769
where:
bonds (distance) C4'-P energy: -106.899
bonds (distance) P-C4' energy: -105.235
flat angles C4'-P-C4' energy: -123.362
flat angles P-C4'-P energy: -78.448
tors. eta vs tors. theta energy: -131.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1384.994615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.994615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.994615 (E_RNA)
where:
Base-Base interactions energy: -892.091
where: short stacking energy: -400.811
Base-Backbone interact. energy: -1.002
local terms energy: -491.902104
where:
bonds (distance) C4'-P energy: -100.742
bonds (distance) P-C4' energy: -101.810
flat angles C4'-P-C4' energy: -113.186
flat angles P-C4'-P energy: -76.603
tors. eta vs tors. theta energy: -99.561
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: 65
Temperature: 1.150000
Total energy: -1197.767107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.767107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.767107 (E_RNA)
where:
Base-Base interactions energy: -738.245
where: short stacking energy: -332.442
Base-Backbone interact. energy: 0.258
local terms energy: -459.779630
where:
bonds (distance) C4'-P energy: -85.785
bonds (distance) P-C4' energy: -104.270
flat angles C4'-P-C4' energy: -109.888
flat angles P-C4'-P energy: -75.745
tors. eta vs tors. theta energy: -84.091
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: 10
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -1054.893111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.893111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.893111 (E_RNA)
where:
Base-Base interactions energy: -632.370
where: short stacking energy: -315.235
Base-Backbone interact. energy: 2.826
local terms energy: -425.348216
where:
bonds (distance) C4'-P energy: -84.027
bonds (distance) P-C4' energy: -108.610
flat angles C4'-P-C4' energy: -103.947
flat angles P-C4'-P energy: -63.894
tors. eta vs tors. theta energy: -64.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -874.145829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.145829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.145829 (E_RNA)
where:
Base-Base interactions energy: -507.496
where: short stacking energy: -247.503
Base-Backbone interact. energy: -1.687
local terms energy: -364.963218
where:
bonds (distance) C4'-P energy: -93.751
bonds (distance) P-C4' energy: -93.460
flat angles C4'-P-C4' energy: -93.440
flat angles P-C4'-P energy: -61.786
tors. eta vs tors. theta energy: -22.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -732.919134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.919134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.919134 (E_RNA)
where:
Base-Base interactions energy: -377.566
where: short stacking energy: -213.190
Base-Backbone interact. energy: 6.823
local terms energy: -362.175175
where:
bonds (distance) C4'-P energy: -93.332
bonds (distance) P-C4' energy: -103.728
flat angles C4'-P-C4' energy: -85.319
flat angles P-C4'-P energy: -62.426
tors. eta vs tors. theta energy: -17.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -610.903307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.903307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.903307 (E_RNA)
where:
Base-Base interactions energy: -270.328
where: short stacking energy: -142.305
Base-Backbone interact. energy: 5.131
local terms energy: -345.705430
where:
bonds (distance) C4'-P energy: -97.878
bonds (distance) P-C4' energy: -114.544
flat angles C4'-P-C4' energy: -104.589
flat angles P-C4'-P energy: -38.463
tors. eta vs tors. theta energy: 9.769
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: 7
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1843.184836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.184836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.184836 (E_RNA)
where:
Base-Base interactions energy: -1262.030
where: short stacking energy: -526.196
Base-Backbone interact. energy: -1.598
local terms energy: -579.556844
where:
bonds (distance) C4'-P energy: -118.610
bonds (distance) P-C4' energy: -128.388
flat angles C4'-P-C4' energy: -122.174
flat angles P-C4'-P energy: -78.511
tors. eta vs tors. theta energy: -131.873
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: 4
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1772.685472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.685472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.685472 (E_RNA)
where:
Base-Base interactions energy: -1191.810
where: short stacking energy: -505.181
Base-Backbone interact. energy: -0.561
local terms energy: -580.314665
where:
bonds (distance) C4'-P energy: -120.060
bonds (distance) P-C4' energy: -123.409
flat angles C4'-P-C4' energy: -131.054
flat angles P-C4'-P energy: -65.750
tors. eta vs tors. theta energy: -140.042
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: 9
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1759.332126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.332126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.332126 (E_RNA)
where:
Base-Base interactions energy: -1192.639
where: short stacking energy: -475.433
Base-Backbone interact. energy: -5.806
local terms energy: -560.886733
where:
bonds (distance) C4'-P energy: -101.637
bonds (distance) P-C4' energy: -125.121
flat angles C4'-P-C4' energy: -120.395
flat angles P-C4'-P energy: -81.055
tors. eta vs tors. theta energy: -132.679
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: 6
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1629.956204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.956204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.956204 (E_RNA)
where:
Base-Base interactions energy: -1077.871
where: short stacking energy: -481.864
Base-Backbone interact. energy: -0.446
local terms energy: -551.639128
where:
bonds (distance) C4'-P energy: -114.518
bonds (distance) P-C4' energy: -106.790
flat angles C4'-P-C4' energy: -124.663
flat angles P-C4'-P energy: -72.452
tors. eta vs tors. theta energy: -133.216
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: 3
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1397.629845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.629845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.629845 (E_RNA)
where:
Base-Base interactions energy: -888.082
where: short stacking energy: -398.561
Base-Backbone interact. energy: 0.617
local terms energy: -510.164329
where:
bonds (distance) C4'-P energy: -106.308
bonds (distance) P-C4' energy: -109.024
flat angles C4'-P-C4' energy: -112.318
flat angles P-C4'-P energy: -78.500
tors. eta vs tors. theta energy: -104.014
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: 66
Temperature: 1.150000
Total energy: -1226.794433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.794433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.794433 (E_RNA)
where:
Base-Base interactions energy: -779.260
where: short stacking energy: -375.003
Base-Backbone interact. energy: -1.990
local terms energy: -445.544603
where:
bonds (distance) C4'-P energy: -91.916
bonds (distance) P-C4' energy: -96.849
flat angles C4'-P-C4' energy: -102.958
flat angles P-C4'-P energy: -58.263
tors. eta vs tors. theta energy: -95.559
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: 10
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1042.634679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.634679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.634679 (E_RNA)
where:
Base-Base interactions energy: -642.951
where: short stacking energy: -330.782
Base-Backbone interact. energy: 3.891
local terms energy: -403.574999
where:
bonds (distance) C4'-P energy: -107.041
bonds (distance) P-C4' energy: -95.268
flat angles C4'-P-C4' energy: -85.739
flat angles P-C4'-P energy: -50.164
tors. eta vs tors. theta energy: -65.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -837.712778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.712778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.712778 (E_RNA)
where:
Base-Base interactions energy: -498.501
where: short stacking energy: -232.069
Base-Backbone interact. energy: -0.480
local terms energy: -338.731856
where:
bonds (distance) C4'-P energy: -84.049
bonds (distance) P-C4' energy: -100.089
flat angles C4'-P-C4' energy: -69.146
flat angles P-C4'-P energy: -63.307
tors. eta vs tors. theta energy: -22.140
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: 2
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -716.911652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.911652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.911652 (E_RNA)
where:
Base-Base interactions energy: -395.435
where: short stacking energy: -188.586
Base-Backbone interact. energy: -2.321
local terms energy: -319.155489
where:
bonds (distance) C4'-P energy: -93.493
bonds (distance) P-C4' energy: -91.858
flat angles C4'-P-C4' energy: -77.189
flat angles P-C4'-P energy: -58.504
tors. eta vs tors. theta energy: 1.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -609.420188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.420188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.420188 (E_RNA)
where:
Base-Base interactions energy: -293.522
where: short stacking energy: -161.655
Base-Backbone interact. energy: 5.154
local terms energy: -321.052952
where:
bonds (distance) C4'-P energy: -97.708
bonds (distance) P-C4' energy: -85.696
flat angles C4'-P-C4' energy: -86.857
flat angles P-C4'-P energy: -60.149
tors. eta vs tors. theta energy: 9.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1858.206944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.206944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.206944 (E_RNA)
where:
Base-Base interactions energy: -1273.198
where: short stacking energy: -522.141
Base-Backbone interact. energy: -6.428
local terms energy: -578.581245
where:
bonds (distance) C4'-P energy: -118.925
bonds (distance) P-C4' energy: -120.542
flat angles C4'-P-C4' energy: -130.179
flat angles P-C4'-P energy: -82.217
tors. eta vs tors. theta energy: -126.718
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: 2, replica: 4
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1800.709302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.709302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.709302 (E_RNA)
where:
Base-Base interactions energy: -1202.724
where: short stacking energy: -521.291
Base-Backbone interact. energy: -2.075
local terms energy: -595.910112
where:
bonds (distance) C4'-P energy: -110.665
bonds (distance) P-C4' energy: -119.144
flat angles C4'-P-C4' energy: -130.402
flat angles P-C4'-P energy: -93.270
tors. eta vs tors. theta energy: -142.428
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: 9
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1768.536578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.536578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.536578 (E_RNA)
where:
Base-Base interactions energy: -1225.279
where: short stacking energy: -487.535
Base-Backbone interact. energy: -3.207
local terms energy: -540.050740
where:
bonds (distance) C4'-P energy: -104.609
bonds (distance) P-C4' energy: -109.375
flat angles C4'-P-C4' energy: -120.578
flat angles P-C4'-P energy: -75.616
tors. eta vs tors. theta energy: -129.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -1637.594549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.594549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.594549 (E_RNA)
where:
Base-Base interactions energy: -1092.819
where: short stacking energy: -497.296
Base-Backbone interact. energy: -2.725
local terms energy: -542.050744
where:
bonds (distance) C4'-P energy: -97.373
bonds (distance) P-C4' energy: -115.047
flat angles C4'-P-C4' energy: -129.605
flat angles P-C4'-P energy: -65.419
tors. eta vs tors. theta energy: -134.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1432.842969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.842969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.842969 (E_RNA)
where:
Base-Base interactions energy: -947.009
where: short stacking energy: -421.235
Base-Backbone interact. energy: 0.125
local terms energy: -485.959446
where:
bonds (distance) C4'-P energy: -114.356
bonds (distance) P-C4' energy: -104.672
flat angles C4'-P-C4' energy: -92.582
flat angles P-C4'-P energy: -68.523
tors. eta vs tors. theta energy: -105.827
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: 6, replica: 1
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1256.277291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.277291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.277291 (E_RNA)
where:
Base-Base interactions energy: -807.473
where: short stacking energy: -371.400
Base-Backbone interact. energy: 3.066
local terms energy: -451.869662
where:
bonds (distance) C4'-P energy: -89.896
bonds (distance) P-C4' energy: -101.997
flat angles C4'-P-C4' energy: -116.240
flat angles P-C4'-P energy: -62.298
tors. eta vs tors. theta energy: -81.438
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: 10
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -1052.450737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.450737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.450737 (E_RNA)
where:
Base-Base interactions energy: -645.070
where: short stacking energy: -321.515
Base-Backbone interact. energy: 5.769
local terms energy: -413.149142
where:
bonds (distance) C4'-P energy: -107.457
bonds (distance) P-C4' energy: -99.114
flat angles C4'-P-C4' energy: -94.876
flat angles P-C4'-P energy: -54.643
tors. eta vs tors. theta energy: -57.059
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: 8, replica: 5
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -792.845651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.845651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.845651 (E_RNA)
where:
Base-Base interactions energy: -453.505
where: short stacking energy: -247.684
Base-Backbone interact. energy: -3.464
local terms energy: -335.876374
where:
bonds (distance) C4'-P energy: -102.371
bonds (distance) P-C4' energy: -87.089
flat angles C4'-P-C4' energy: -78.884
flat angles P-C4'-P energy: -48.764
tors. eta vs tors. theta energy: -18.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -720.573806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.573806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.573806 (E_RNA)
where:
Base-Base interactions energy: -407.501
where: short stacking energy: -204.036
Base-Backbone interact. energy: 6.803
local terms energy: -319.875625
where:
bonds (distance) C4'-P energy: -77.302
bonds (distance) P-C4' energy: -90.527
flat angles C4'-P-C4' energy: -82.232
flat angles P-C4'-P energy: -60.641
tors. eta vs tors. theta energy: -9.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -628.034158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.034158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.034158 (E_RNA)
where:
Base-Base interactions energy: -294.549
where: short stacking energy: -142.798
Base-Backbone interact. energy: 0.126
local terms energy: -333.611095
where:
bonds (distance) C4'-P energy: -100.210
bonds (distance) P-C4' energy: -104.307
flat angles C4'-P-C4' energy: -92.618
flat angles P-C4'-P energy: -48.357
tors. eta vs tors. theta energy: 11.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1848.592486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.592486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.592486 (E_RNA)
where:
Base-Base interactions energy: -1283.910
where: short stacking energy: -527.163
Base-Backbone interact. energy: -3.301
local terms energy: -561.382197
where:
bonds (distance) C4'-P energy: -115.067
bonds (distance) P-C4' energy: -100.010
flat angles C4'-P-C4' energy: -126.705
flat angles P-C4'-P energy: -85.943
tors. eta vs tors. theta energy: -133.658
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: 4
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1795.342706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.342706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.342706 (E_RNA)
where:
Base-Base interactions energy: -1216.809
where: short stacking energy: -512.136
Base-Backbone interact. energy: -2.837
local terms energy: -575.696881
where:
bonds (distance) C4'-P energy: -108.748
bonds (distance) P-C4' energy: -115.506
flat angles C4'-P-C4' energy: -117.439
flat angles P-C4'-P energy: -86.028
tors. eta vs tors. theta energy: -147.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1740.724803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.724803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.724803 (E_RNA)
where:
Base-Base interactions energy: -1160.452
where: short stacking energy: -493.954
Base-Backbone interact. energy: 3.056
local terms energy: -583.328142
where:
bonds (distance) C4'-P energy: -117.920
bonds (distance) P-C4' energy: -116.070
flat angles C4'-P-C4' energy: -127.142
flat angles P-C4'-P energy: -92.717
tors. eta vs tors. theta energy: -129.479
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: 6
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1643.567927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.567927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.567927 (E_RNA)
where:
Base-Base interactions energy: -1102.973
where: short stacking energy: -469.172
Base-Backbone interact. energy: -2.212
local terms energy: -538.383618
where:
bonds (distance) C4'-P energy: -106.115
bonds (distance) P-C4' energy: -109.182
flat angles C4'-P-C4' energy: -115.959
flat angles P-C4'-P energy: -77.584
tors. eta vs tors. theta energy: -129.542
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: 3
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1478.970268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.970268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.970268 (E_RNA)
where:
Base-Base interactions energy: -970.364
where: short stacking energy: -419.366
Base-Backbone interact. energy: -2.696
local terms energy: -505.910053
where:
bonds (distance) C4'-P energy: -116.355
bonds (distance) P-C4' energy: -100.225
flat angles C4'-P-C4' energy: -125.916
flat angles P-C4'-P energy: -55.699
tors. eta vs tors. theta energy: -107.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1283.851962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.851962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.851962 (E_RNA)
where:
Base-Base interactions energy: -819.928
where: short stacking energy: -376.907
Base-Backbone interact. energy: -2.454
local terms energy: -461.469595
where:
bonds (distance) C4'-P energy: -101.668
bonds (distance) P-C4' energy: -90.664
flat angles C4'-P-C4' energy: -124.061
flat angles P-C4'-P energy: -60.838
tors. eta vs tors. theta energy: -84.240
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: 10
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -1121.109318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.109318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.109318 (E_RNA)
where:
Base-Base interactions energy: -694.168
where: short stacking energy: -321.412
Base-Backbone interact. energy: 0.571
local terms energy: -427.512923
where:
bonds (distance) C4'-P energy: -110.905
bonds (distance) P-C4' energy: -101.590
flat angles C4'-P-C4' energy: -96.059
flat angles P-C4'-P energy: -53.859
tors. eta vs tors. theta energy: -65.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -749.547982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.547982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.547982 (E_RNA)
where:
Base-Base interactions energy: -353.163
where: short stacking energy: -222.186
Base-Backbone interact. energy: -0.723
local terms energy: -395.661586
where:
bonds (distance) C4'-P energy: -113.192
bonds (distance) P-C4' energy: -99.039
flat angles C4'-P-C4' energy: -107.076
flat angles P-C4'-P energy: -50.506
tors. eta vs tors. theta energy: -25.848
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: 2
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -715.123613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.123613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.123613 (E_RNA)
where:
Base-Base interactions energy: -372.372
where: short stacking energy: -207.173
Base-Backbone interact. energy: 0.685
local terms energy: -343.437376
where:
bonds (distance) C4'-P energy: -94.408
bonds (distance) P-C4' energy: -92.639
flat angles C4'-P-C4' energy: -79.621
flat angles P-C4'-P energy: -65.952
tors. eta vs tors. theta energy: -10.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -599.051582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.051582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.051582 (E_RNA)
where:
Base-Base interactions energy: -277.156
where: short stacking energy: -160.512
Base-Backbone interact. energy: 4.832
local terms energy: -326.727454
where:
bonds (distance) C4'-P energy: -87.276
bonds (distance) P-C4' energy: -111.230
flat angles C4'-P-C4' energy: -76.504
flat angles P-C4'-P energy: -50.730
tors. eta vs tors. theta energy: -0.987
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: 7
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1845.065676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.065676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.065676 (E_RNA)
where:
Base-Base interactions energy: -1252.568
where: short stacking energy: -506.856
Base-Backbone interact. energy: -2.886
local terms energy: -589.611663
where:
bonds (distance) C4'-P energy: -117.917
bonds (distance) P-C4' energy: -118.048
flat angles C4'-P-C4' energy: -138.291
flat angles P-C4'-P energy: -81.824
tors. eta vs tors. theta energy: -133.532
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: 4
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1810.224434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.224434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.224434 (E_RNA)
where:
Base-Base interactions energy: -1231.022
where: short stacking energy: -521.599
Base-Backbone interact. energy: -0.978
local terms energy: -578.224342
where:
bonds (distance) C4'-P energy: -112.601
bonds (distance) P-C4' energy: -119.013
flat angles C4'-P-C4' energy: -122.482
flat angles P-C4'-P energy: -82.935
tors. eta vs tors. theta energy: -141.193
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: 9
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1714.221497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.221497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.221497 (E_RNA)
where:
Base-Base interactions energy: -1163.701
where: short stacking energy: -501.167
Base-Backbone interact. energy: -2.952
local terms energy: -547.568515
where:
bonds (distance) C4'-P energy: -94.625
bonds (distance) P-C4' energy: -112.666
flat angles C4'-P-C4' energy: -122.001
flat angles P-C4'-P energy: -89.017
tors. eta vs tors. theta energy: -129.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1587.124640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.124640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.124640 (E_RNA)
where:
Base-Base interactions energy: -1046.180
where: short stacking energy: -436.967
Base-Backbone interact. energy: -0.474
local terms energy: -540.470706
where:
bonds (distance) C4'-P energy: -96.295
bonds (distance) P-C4' energy: -126.263
flat angles C4'-P-C4' energy: -128.459
flat angles P-C4'-P energy: -60.913
tors. eta vs tors. theta energy: -128.541
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: 3
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1450.591269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.591269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.591269 (E_RNA)
where:
Base-Base interactions energy: -931.569
where: short stacking energy: -415.060
Base-Backbone interact. energy: 1.809
local terms energy: -520.830773
where:
bonds (distance) C4'-P energy: -105.199
bonds (distance) P-C4' energy: -110.652
flat angles C4'-P-C4' energy: -109.750
flat angles P-C4'-P energy: -82.286
tors. eta vs tors. theta energy: -112.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1300.519285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.519285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.519285 (E_RNA)
where:
Base-Base interactions energy: -809.949
where: short stacking energy: -367.472
Base-Backbone interact. energy: 0.139
local terms energy: -490.709213
where:
bonds (distance) C4'-P energy: -106.830
bonds (distance) P-C4' energy: -123.159
flat angles C4'-P-C4' energy: -104.251
flat angles P-C4'-P energy: -62.475
tors. eta vs tors. theta energy: -93.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1070.724904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.724904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.724904 (E_RNA)
where:
Base-Base interactions energy: -615.480
where: short stacking energy: -314.064
Base-Backbone interact. energy: 0.153
local terms energy: -455.397642
where:
bonds (distance) C4'-P energy: -99.287
bonds (distance) P-C4' energy: -106.161
flat angles C4'-P-C4' energy: -106.278
flat angles P-C4'-P energy: -67.401
tors. eta vs tors. theta energy: -76.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -775.942642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.942642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.942642 (E_RNA)
where:
Base-Base interactions energy: -413.496
where: short stacking energy: -215.609
Base-Backbone interact. energy: -1.617
local terms energy: -360.829857
where:
bonds (distance) C4'-P energy: -96.375
bonds (distance) P-C4' energy: -95.321
flat angles C4'-P-C4' energy: -102.652
flat angles P-C4'-P energy: -45.856
tors. eta vs tors. theta energy: -20.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -717.740193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.740193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.740193 (E_RNA)
where:
Base-Base interactions energy: -367.050
where: short stacking energy: -194.067
Base-Backbone interact. energy: 2.257
local terms energy: -352.947622
where:
bonds (distance) C4'-P energy: -94.552
bonds (distance) P-C4' energy: -98.519
flat angles C4'-P-C4' energy: -88.067
flat angles P-C4'-P energy: -49.988
tors. eta vs tors. theta energy: -21.821
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: 10, replica: 8
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -607.984965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.984965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.984965 (E_RNA)
where:
Base-Base interactions energy: -282.533
where: short stacking energy: -174.550
Base-Backbone interact. energy: 1.512
local terms energy: -326.964167
where:
bonds (distance) C4'-P energy: -87.553
bonds (distance) P-C4' energy: -83.326
flat angles C4'-P-C4' energy: -101.207
flat angles P-C4'-P energy: -54.177
tors. eta vs tors. theta energy: -0.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1878.485416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.485416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.485416 (E_RNA)
where:
Base-Base interactions energy: -1287.469
where: short stacking energy: -523.955
Base-Backbone interact. energy: -1.410
local terms energy: -589.606941
where:
bonds (distance) C4'-P energy: -123.945
bonds (distance) P-C4' energy: -116.219
flat angles C4'-P-C4' energy: -121.809
flat angles P-C4'-P energy: -85.527
tors. eta vs tors. theta energy: -142.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1808.971427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.971427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.971427 (E_RNA)
where:
Base-Base interactions energy: -1220.195
where: short stacking energy: -518.509
Base-Backbone interact. energy: -1.874
local terms energy: -586.901898
where:
bonds (distance) C4'-P energy: -111.949
bonds (distance) P-C4' energy: -127.741
flat angles C4'-P-C4' energy: -119.165
flat angles P-C4'-P energy: -85.245
tors. eta vs tors. theta energy: -142.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1755.278551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.278551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.278551 (E_RNA)
where:
Base-Base interactions energy: -1194.687
where: short stacking energy: -495.075
Base-Backbone interact. energy: -2.275
local terms energy: -558.316714
where:
bonds (distance) C4'-P energy: -96.573
bonds (distance) P-C4' energy: -112.821
flat angles C4'-P-C4' energy: -123.649
flat angles P-C4'-P energy: -84.095
tors. eta vs tors. theta energy: -141.180
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: 6
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1615.797426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.797426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.797426 (E_RNA)
where:
Base-Base interactions energy: -1090.525
where: short stacking energy: -474.666
Base-Backbone interact. energy: -1.052
local terms energy: -524.220588
where:
bonds (distance) C4'-P energy: -85.797
bonds (distance) P-C4' energy: -127.891
flat angles C4'-P-C4' energy: -111.592
flat angles P-C4'-P energy: -71.662
tors. eta vs tors. theta energy: -127.278
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: 5, replica: 3
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1467.232776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.232776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.232776 (E_RNA)
where:
Base-Base interactions energy: -935.618
where: short stacking energy: -423.760
Base-Backbone interact. energy: -1.091
local terms energy: -530.523785
where:
bonds (distance) C4'-P energy: -109.444
bonds (distance) P-C4' energy: -97.002
flat angles C4'-P-C4' energy: -122.005
flat angles P-C4'-P energy: -88.389
tors. eta vs tors. theta energy: -113.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1322.389892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.389892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.389892 (E_RNA)
where:
Base-Base interactions energy: -878.877
where: short stacking energy: -395.420
Base-Backbone interact. energy: -1.389
local terms energy: -442.123625
where:
bonds (distance) C4'-P energy: -76.686
bonds (distance) P-C4' energy: -108.420
flat angles C4'-P-C4' energy: -101.384
flat angles P-C4'-P energy: -64.300
tors. eta vs tors. theta energy: -91.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1053.101873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.101873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.101873 (E_RNA)
where:
Base-Base interactions energy: -633.596
where: short stacking energy: -313.293
Base-Backbone interact. energy: 5.752
local terms energy: -425.258106
where:
bonds (distance) C4'-P energy: -109.664
bonds (distance) P-C4' energy: -105.441
flat angles C4'-P-C4' energy: -92.568
flat angles P-C4'-P energy: -52.110
tors. eta vs tors. theta energy: -65.475
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: 2
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -836.521987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.521987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.521987 (E_RNA)
where:
Base-Base interactions energy: -442.391
where: short stacking energy: -210.121
Base-Backbone interact. energy: -1.778
local terms energy: -392.353060
where:
bonds (distance) C4'-P energy: -119.206
bonds (distance) P-C4' energy: -94.523
flat angles C4'-P-C4' energy: -76.419
flat angles P-C4'-P energy: -70.611
tors. eta vs tors. theta energy: -31.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -714.762306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.762306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.762306 (E_RNA)
where:
Base-Base interactions energy: -384.952
where: short stacking energy: -218.098
Base-Backbone interact. energy: -0.990
local terms energy: -328.819666
where:
bonds (distance) C4'-P energy: -86.649
bonds (distance) P-C4' energy: -88.590
flat angles C4'-P-C4' energy: -91.366
flat angles P-C4'-P energy: -45.573
tors. eta vs tors. theta energy: -16.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -601.919792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.919792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.919792 (E_RNA)
where:
Base-Base interactions energy: -298.115
where: short stacking energy: -169.534
Base-Backbone interact. energy: -1.239
local terms energy: -302.565935
where:
bonds (distance) C4'-P energy: -97.404
bonds (distance) P-C4' energy: -83.346
flat angles C4'-P-C4' energy: -75.891
flat angles P-C4'-P energy: -45.925
tors. eta vs tors. theta energy: -0.001
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: 7
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1848.678565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.678565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.678565 (E_RNA)
where:
Base-Base interactions energy: -1246.638
where: short stacking energy: -521.387
Base-Backbone interact. energy: -1.415
local terms energy: -600.625438
where:
bonds (distance) C4'-P energy: -108.308
bonds (distance) P-C4' energy: -121.541
flat angles C4'-P-C4' energy: -132.261
flat angles P-C4'-P energy: -91.577
tors. eta vs tors. theta energy: -146.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1852.228997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.228997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.228997 (E_RNA)
where:
Base-Base interactions energy: -1262.553
where: short stacking energy: -557.710
Base-Backbone interact. energy: -2.470
local terms energy: -587.205925
where:
bonds (distance) C4'-P energy: -116.723
bonds (distance) P-C4' energy: -97.499
flat angles C4'-P-C4' energy: -123.521
flat angles P-C4'-P energy: -94.981
tors. eta vs tors. theta energy: -154.482
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: 9
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1695.334272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.334272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.334272 (E_RNA)
where:
Base-Base interactions energy: -1142.165
where: short stacking energy: -485.721
Base-Backbone interact. energy: -1.688
local terms energy: -551.480939
where:
bonds (distance) C4'-P energy: -105.365
bonds (distance) P-C4' energy: -114.286
flat angles C4'-P-C4' energy: -125.241
flat angles P-C4'-P energy: -69.993
tors. eta vs tors. theta energy: -136.596
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: 4, replica: 6
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1605.646481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.646481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.646481 (E_RNA)
where:
Base-Base interactions energy: -1075.165
where: short stacking energy: -499.134
Base-Backbone interact. energy: -0.585
local terms energy: -529.896520
where:
bonds (distance) C4'-P energy: -97.544
bonds (distance) P-C4' energy: -105.147
flat angles C4'-P-C4' energy: -116.648
flat angles P-C4'-P energy: -82.682
tors. eta vs tors. theta energy: -127.877
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: 3
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1500.677348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.677348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.677348 (E_RNA)
where:
Base-Base interactions energy: -985.823
where: short stacking energy: -452.528
Base-Backbone interact. energy: -0.055
local terms energy: -514.799682
where:
bonds (distance) C4'-P energy: -100.549
bonds (distance) P-C4' energy: -94.590
flat angles C4'-P-C4' energy: -118.010
flat angles P-C4'-P energy: -73.214
tors. eta vs tors. theta energy: -128.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1299.770146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.770146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.770146 (E_RNA)
where:
Base-Base interactions energy: -803.215
where: short stacking energy: -379.829
Base-Backbone interact. energy: -0.173
local terms energy: -496.382409
where:
bonds (distance) C4'-P energy: -93.611
bonds (distance) P-C4' energy: -116.440
flat angles C4'-P-C4' energy: -110.489
flat angles P-C4'-P energy: -77.080
tors. eta vs tors. theta energy: -98.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1086.560064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.560064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.560064 (E_RNA)
where:
Base-Base interactions energy: -654.136
where: short stacking energy: -299.002
Base-Backbone interact. energy: -2.467
local terms energy: -429.956327
where:
bonds (distance) C4'-P energy: -101.975
bonds (distance) P-C4' energy: -102.528
flat angles C4'-P-C4' energy: -97.294
flat angles P-C4'-P energy: -60.956
tors. eta vs tors. theta energy: -67.204
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: 2
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -855.216686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.216686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.216686 (E_RNA)
where:
Base-Base interactions energy: -487.707
where: short stacking energy: -243.055
Base-Backbone interact. energy: -2.808
local terms energy: -364.701397
where:
bonds (distance) C4'-P energy: -88.224
bonds (distance) P-C4' energy: -103.688
flat angles C4'-P-C4' energy: -89.997
flat angles P-C4'-P energy: -54.564
tors. eta vs tors. theta energy: -28.228
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: 5
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -697.795367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.795367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.795367 (E_RNA)
where:
Base-Base interactions energy: -337.782
where: short stacking energy: -197.517
Base-Backbone interact. energy: -2.087
local terms energy: -357.926635
where:
bonds (distance) C4'-P energy: -95.114
bonds (distance) P-C4' energy: -104.867
flat angles C4'-P-C4' energy: -95.781
flat angles P-C4'-P energy: -54.635
tors. eta vs tors. theta energy: -7.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -642.329184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.329184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.329184 (E_RNA)
where:
Base-Base interactions energy: -303.008
where: short stacking energy: -179.683
Base-Backbone interact. energy: 3.667
local terms energy: -342.987983
where:
bonds (distance) C4'-P energy: -102.372
bonds (distance) P-C4' energy: -102.189
flat angles C4'-P-C4' energy: -90.331
flat angles P-C4'-P energy: -50.362
tors. eta vs tors. theta energy: 2.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1854.697050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.697050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.697050 (E_RNA)
where:
Base-Base interactions energy: -1249.573
where: short stacking energy: -533.302
Base-Backbone interact. energy: -0.494
local terms energy: -604.630083
where:
bonds (distance) C4'-P energy: -123.803
bonds (distance) P-C4' energy: -122.281
flat angles C4'-P-C4' energy: -121.962
flat angles P-C4'-P energy: -88.090
tors. eta vs tors. theta energy: -148.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1838.072186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.072186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.072186 (E_RNA)
where:
Base-Base interactions energy: -1223.499
where: short stacking energy: -532.669
Base-Backbone interact. energy: -2.856
local terms energy: -611.717840
where:
bonds (distance) C4'-P energy: -111.290
bonds (distance) P-C4' energy: -118.835
flat angles C4'-P-C4' energy: -138.186
flat angles P-C4'-P energy: -81.995
tors. eta vs tors. theta energy: -161.412
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: 9
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -1719.392895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.392895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.392895 (E_RNA)
where:
Base-Base interactions energy: -1136.594
where: short stacking energy: -488.330
Base-Backbone interact. energy: -2.780
local terms energy: -580.018836
where:
bonds (distance) C4'-P energy: -117.983
bonds (distance) P-C4' energy: -102.372
flat angles C4'-P-C4' energy: -133.648
flat angles P-C4'-P energy: -85.239
tors. eta vs tors. theta energy: -140.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -1609.551543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.551543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.551543 (E_RNA)
where:
Base-Base interactions energy: -1067.350
where: short stacking energy: -480.422
Base-Backbone interact. energy: 0.464
local terms energy: -542.665681
where:
bonds (distance) C4'-P energy: -105.614
bonds (distance) P-C4' energy: -105.408
flat angles C4'-P-C4' energy: -121.829
flat angles P-C4'-P energy: -85.560
tors. eta vs tors. theta energy: -124.254
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: 3
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1458.191734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.191734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.191734 (E_RNA)
where:
Base-Base interactions energy: -925.408
where: short stacking energy: -432.461
Base-Backbone interact. energy: -1.360
local terms energy: -531.423627
where:
bonds (distance) C4'-P energy: -93.177
bonds (distance) P-C4' energy: -96.685
flat angles C4'-P-C4' energy: -127.190
flat angles P-C4'-P energy: -80.324
tors. eta vs tors. theta energy: -134.048
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: 6, replica: 1
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1316.019163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.019163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.019163 (E_RNA)
where:
Base-Base interactions energy: -838.123
where: short stacking energy: -380.823
Base-Backbone interact. energy: -1.818
local terms energy: -476.078665
where:
bonds (distance) C4'-P energy: -115.836
bonds (distance) P-C4' energy: -94.118
flat angles C4'-P-C4' energy: -112.765
flat angles P-C4'-P energy: -66.979
tors. eta vs tors. theta energy: -86.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1095.100004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.100004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.100004 (E_RNA)
where:
Base-Base interactions energy: -668.182
where: short stacking energy: -325.049
Base-Backbone interact. energy: 4.340
local terms energy: -431.258720
where:
bonds (distance) C4'-P energy: -104.996
bonds (distance) P-C4' energy: -103.879
flat angles C4'-P-C4' energy: -112.458
flat angles P-C4'-P energy: -38.007
tors. eta vs tors. theta energy: -71.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -865.254884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.254884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.254884 (E_RNA)
where:
Base-Base interactions energy: -498.889
where: short stacking energy: -275.636
Base-Backbone interact. energy: -4.522
local terms energy: -361.843852
where:
bonds (distance) C4'-P energy: -75.100
bonds (distance) P-C4' energy: -99.523
flat angles C4'-P-C4' energy: -99.164
flat angles P-C4'-P energy: -55.133
tors. eta vs tors. theta energy: -32.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -694.834973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.834973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.834973 (E_RNA)
where:
Base-Base interactions energy: -341.346
where: short stacking energy: -179.911
Base-Backbone interact. energy: -0.070
local terms energy: -353.419256
where:
bonds (distance) C4'-P energy: -107.222
bonds (distance) P-C4' energy: -79.757
flat angles C4'-P-C4' energy: -94.970
flat angles P-C4'-P energy: -66.194
tors. eta vs tors. theta energy: -5.277
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: 10, replica: 8
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -634.798180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.798180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.798180 (E_RNA)
where:
Base-Base interactions energy: -332.145
where: short stacking energy: -189.257
Base-Backbone interact. energy: 1.604
local terms energy: -304.256434
where:
bonds (distance) C4'-P energy: -86.126
bonds (distance) P-C4' energy: -90.647
flat angles C4'-P-C4' energy: -77.048
flat angles P-C4'-P energy: -29.530
tors. eta vs tors. theta energy: -20.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1906.945404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.945404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.945404 (E_RNA)
where:
Base-Base interactions energy: -1311.361
where: short stacking energy: -554.155
Base-Backbone interact. energy: -2.689
local terms energy: -592.895260
where:
bonds (distance) C4'-P energy: -114.782
bonds (distance) P-C4' energy: -116.881
flat angles C4'-P-C4' energy: -134.491
flat angles P-C4'-P energy: -79.300
tors. eta vs tors. theta energy: -147.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1840.066853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.066853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.066853 (E_RNA)
where:
Base-Base interactions energy: -1252.427
where: short stacking energy: -542.862
Base-Backbone interact. energy: -3.484
local terms energy: -584.155541
where:
bonds (distance) C4'-P energy: -111.487
bonds (distance) P-C4' energy: -108.475
flat angles C4'-P-C4' energy: -123.280
flat angles P-C4'-P energy: -76.428
tors. eta vs tors. theta energy: -164.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -1723.083434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.083434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.083434 (E_RNA)
where:
Base-Base interactions energy: -1165.869
where: short stacking energy: -487.327
Base-Backbone interact. energy: -3.126
local terms energy: -554.087808
where:
bonds (distance) C4'-P energy: -102.855
bonds (distance) P-C4' energy: -110.201
flat angles C4'-P-C4' energy: -122.962
flat angles P-C4'-P energy: -81.791
tors. eta vs tors. theta energy: -136.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1627.854113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.854113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.854113 (E_RNA)
where:
Base-Base interactions energy: -1083.611
where: short stacking energy: -506.665
Base-Backbone interact. energy: 2.711
local terms energy: -546.953727
where:
bonds (distance) C4'-P energy: -99.400
bonds (distance) P-C4' energy: -121.878
flat angles C4'-P-C4' energy: -117.608
flat angles P-C4'-P energy: -82.094
tors. eta vs tors. theta energy: -125.974
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: 73
Temperature: 1.100000
Total energy: -1458.377818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.377818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.377818 (E_RNA)
where:
Base-Base interactions energy: -963.038
where: short stacking energy: -447.968
Base-Backbone interact. energy: -0.618
local terms energy: -494.722304
where:
bonds (distance) C4'-P energy: -102.055
bonds (distance) P-C4' energy: -103.490
flat angles C4'-P-C4' energy: -116.276
flat angles P-C4'-P energy: -59.224
tors. eta vs tors. theta energy: -113.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1284.474494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.474494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.474494 (E_RNA)
where:
Base-Base interactions energy: -851.952
where: short stacking energy: -393.184
Base-Backbone interact. energy: 2.313
local terms energy: -434.835083
where:
bonds (distance) C4'-P energy: -76.864
bonds (distance) P-C4' energy: -106.026
flat angles C4'-P-C4' energy: -104.416
flat angles P-C4'-P energy: -66.984
tors. eta vs tors. theta energy: -80.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1075.595275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.595275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.595275 (E_RNA)
where:
Base-Base interactions energy: -646.747
where: short stacking energy: -328.329
Base-Backbone interact. energy: 1.989
local terms energy: -430.837103
where:
bonds (distance) C4'-P energy: -93.064
bonds (distance) P-C4' energy: -100.790
flat angles C4'-P-C4' energy: -104.283
flat angles P-C4'-P energy: -62.062
tors. eta vs tors. theta energy: -70.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -890.748921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.748921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.748921 (E_RNA)
where:
Base-Base interactions energy: -504.167
where: short stacking energy: -265.555
Base-Backbone interact. energy: -2.875
local terms energy: -383.707215
where:
bonds (distance) C4'-P energy: -86.629
bonds (distance) P-C4' energy: -96.488
flat angles C4'-P-C4' energy: -98.256
flat angles P-C4'-P energy: -57.879
tors. eta vs tors. theta energy: -44.455
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: 9, replica: 5
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -738.328774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.328774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.328774 (E_RNA)
where:
Base-Base interactions energy: -402.000
where: short stacking energy: -214.611
Base-Backbone interact. energy: 1.811
local terms energy: -338.139207
where:
bonds (distance) C4'-P energy: -80.966
bonds (distance) P-C4' energy: -89.947
flat angles C4'-P-C4' energy: -95.150
flat angles P-C4'-P energy: -40.352
tors. eta vs tors. theta energy: -31.725
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: 10, replica: 8
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -589.188947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.188947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.188947 (E_RNA)
where:
Base-Base interactions energy: -250.596
where: short stacking energy: -150.189
Base-Backbone interact. energy: -2.510
local terms energy: -336.082844
where:
bonds (distance) C4'-P energy: -98.724
bonds (distance) P-C4' energy: -119.515
flat angles C4'-P-C4' energy: -78.371
flat angles P-C4'-P energy: -49.060
tors. eta vs tors. theta energy: 9.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1871.090819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.090819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.090819 (E_RNA)
where:
Base-Base interactions energy: -1244.990
where: short stacking energy: -531.114
Base-Backbone interact. energy: -3.500
local terms energy: -622.601249
where:
bonds (distance) C4'-P energy: -125.060
bonds (distance) P-C4' energy: -118.708
flat angles C4'-P-C4' energy: -134.467
flat angles P-C4'-P energy: -95.094
tors. eta vs tors. theta energy: -149.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1818.061962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.061962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.061962 (E_RNA)
where:
Base-Base interactions energy: -1213.306
where: short stacking energy: -529.355
Base-Backbone interact. energy: -4.383
local terms energy: -600.373428
where:
bonds (distance) C4'-P energy: -125.285
bonds (distance) P-C4' energy: -118.166
flat angles C4'-P-C4' energy: -123.971
flat angles P-C4'-P energy: -76.239
tors. eta vs tors. theta energy: -156.712
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: 9
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1769.943569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.943569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.943569 (E_RNA)
where:
Base-Base interactions energy: -1204.442
where: short stacking energy: -502.839
Base-Backbone interact. energy: -3.067
local terms energy: -562.434409
where:
bonds (distance) C4'-P energy: -101.203
bonds (distance) P-C4' energy: -120.086
flat angles C4'-P-C4' energy: -117.858
flat angles P-C4'-P energy: -82.785
tors. eta vs tors. theta energy: -140.502
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: 6
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1628.539286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.539286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.539286 (E_RNA)
where:
Base-Base interactions energy: -1095.577
where: short stacking energy: -486.449
Base-Backbone interact. energy: -0.347
local terms energy: -532.615544
where:
bonds (distance) C4'-P energy: -100.092
bonds (distance) P-C4' energy: -101.113
flat angles C4'-P-C4' energy: -124.917
flat angles P-C4'-P energy: -76.292
tors. eta vs tors. theta energy: -130.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1461.047779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.047779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.047779 (E_RNA)
where:
Base-Base interactions energy: -946.036
where: short stacking energy: -409.733
Base-Backbone interact. energy: -1.929
local terms energy: -513.082034
where:
bonds (distance) C4'-P energy: -111.364
bonds (distance) P-C4' energy: -101.914
flat angles C4'-P-C4' energy: -121.435
flat angles P-C4'-P energy: -71.267
tors. eta vs tors. theta energy: -107.102
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: 1
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -1319.590426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.590426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.590426 (E_RNA)
where:
Base-Base interactions energy: -850.148
where: short stacking energy: -377.750
Base-Backbone interact. energy: -0.894
local terms energy: -468.548205
where:
bonds (distance) C4'-P energy: -97.289
bonds (distance) P-C4' energy: -107.259
flat angles C4'-P-C4' energy: -95.568
flat angles P-C4'-P energy: -75.477
tors. eta vs tors. theta energy: -92.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -1033.584905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.584905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.584905 (E_RNA)
where:
Base-Base interactions energy: -607.954
where: short stacking energy: -297.089
Base-Backbone interact. energy: 1.361
local terms energy: -426.991921
where:
bonds (distance) C4'-P energy: -112.785
bonds (distance) P-C4' energy: -95.444
flat angles C4'-P-C4' energy: -103.614
flat angles P-C4'-P energy: -71.050
tors. eta vs tors. theta energy: -44.099
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: 8, replica: 2
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -953.057728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.057728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.057728 (E_RNA)
where:
Base-Base interactions energy: -527.844
where: short stacking energy: -255.816
Base-Backbone interact. energy: -2.250
local terms energy: -422.963764
where:
bonds (distance) C4'-P energy: -101.316
bonds (distance) P-C4' energy: -117.599
flat angles C4'-P-C4' energy: -104.556
flat angles P-C4'-P energy: -61.422
tors. eta vs tors. theta energy: -38.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -707.091914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.091914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.091914 (E_RNA)
where:
Base-Base interactions energy: -359.716
where: short stacking energy: -202.129
Base-Backbone interact. energy: 1.511
local terms energy: -348.886526
where:
bonds (distance) C4'-P energy: -96.911
bonds (distance) P-C4' energy: -104.077
flat angles C4'-P-C4' energy: -93.406
flat angles P-C4'-P energy: -40.838
tors. eta vs tors. theta energy: -13.654
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: 8
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -542.375462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.375462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.375462 (E_RNA)
where:
Base-Base interactions energy: -227.405
where: short stacking energy: -135.806
Base-Backbone interact. energy: 3.368
local terms energy: -318.338743
where:
bonds (distance) C4'-P energy: -86.885
bonds (distance) P-C4' energy: -114.879
flat angles C4'-P-C4' energy: -89.882
flat angles P-C4'-P energy: -51.634
tors. eta vs tors. theta energy: 24.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1879.454085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.454085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.454085 (E_RNA)
where:
Base-Base interactions energy: -1289.262
where: short stacking energy: -554.264
Base-Backbone interact. energy: -1.490
local terms energy: -588.702884
where:
bonds (distance) C4'-P energy: -123.804
bonds (distance) P-C4' energy: -108.987
flat angles C4'-P-C4' energy: -123.146
flat angles P-C4'-P energy: -82.296
tors. eta vs tors. theta energy: -150.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1831.586397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.586397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.586397 (E_RNA)
where:
Base-Base interactions energy: -1240.358
where: short stacking energy: -557.691
Base-Backbone interact. energy: -2.034
local terms energy: -589.194303
where:
bonds (distance) C4'-P energy: -104.029
bonds (distance) P-C4' energy: -116.345
flat angles C4'-P-C4' energy: -134.604
flat angles P-C4'-P energy: -87.995
tors. eta vs tors. theta energy: -146.221
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: 75
Temperature: 1.000000
Total energy: -1805.049425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.049425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.049425 (E_RNA)
where:
Base-Base interactions energy: -1238.499
where: short stacking energy: -515.520
Base-Backbone interact. energy: -0.531
local terms energy: -566.019490
where:
bonds (distance) C4'-P energy: -104.103
bonds (distance) P-C4' energy: -112.874
flat angles C4'-P-C4' energy: -133.765
flat angles P-C4'-P energy: -72.783
tors. eta vs tors. theta energy: -142.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1656.634385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.634385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.634385 (E_RNA)
where:
Base-Base interactions energy: -1124.834
where: short stacking energy: -481.451
Base-Backbone interact. energy: -2.485
local terms energy: -529.314779
where:
bonds (distance) C4'-P energy: -95.412
bonds (distance) P-C4' energy: -109.076
flat angles C4'-P-C4' energy: -123.895
flat angles P-C4'-P energy: -67.343
tors. eta vs tors. theta energy: -133.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1436.528793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.528793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.528793 (E_RNA)
where:
Base-Base interactions energy: -934.029
where: short stacking energy: -406.537
Base-Backbone interact. energy: -1.699
local terms energy: -500.800195
where:
bonds (distance) C4'-P energy: -108.444
bonds (distance) P-C4' energy: -102.299
flat angles C4'-P-C4' energy: -106.317
flat angles P-C4'-P energy: -64.092
tors. eta vs tors. theta energy: -119.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1269.116305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.116305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.116305 (E_RNA)
where:
Base-Base interactions energy: -823.655
where: short stacking energy: -348.037
Base-Backbone interact. energy: -2.110
local terms energy: -443.350644
where:
bonds (distance) C4'-P energy: -79.607
bonds (distance) P-C4' energy: -115.159
flat angles C4'-P-C4' energy: -108.407
flat angles P-C4'-P energy: -73.334
tors. eta vs tors. theta energy: -66.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -1060.474600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.474600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.474600 (E_RNA)
where:
Base-Base interactions energy: -648.803
where: short stacking energy: -306.436
Base-Backbone interact. energy: 0.039
local terms energy: -411.709902
where:
bonds (distance) C4'-P energy: -91.775
bonds (distance) P-C4' energy: -93.487
flat angles C4'-P-C4' energy: -98.627
flat angles P-C4'-P energy: -65.897
tors. eta vs tors. theta energy: -61.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -966.265432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.265432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.265432 (E_RNA)
where:
Base-Base interactions energy: -564.279
where: short stacking energy: -278.735
Base-Backbone interact. energy: -1.023
local terms energy: -400.964169
where:
bonds (distance) C4'-P energy: -97.167
bonds (distance) P-C4' energy: -109.207
flat angles C4'-P-C4' energy: -94.166
flat angles P-C4'-P energy: -62.449
tors. eta vs tors. theta energy: -37.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -726.860497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.860497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.860497 (E_RNA)
where:
Base-Base interactions energy: -390.312
where: short stacking energy: -221.733
Base-Backbone interact. energy: 2.226
local terms energy: -338.774995
where:
bonds (distance) C4'-P energy: -91.874
bonds (distance) P-C4' energy: -90.907
flat angles C4'-P-C4' energy: -87.239
flat angles P-C4'-P energy: -47.379
tors. eta vs tors. theta energy: -21.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -565.367679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.367679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.367679 (E_RNA)
where:
Base-Base interactions energy: -246.968
where: short stacking energy: -143.493
Base-Backbone interact. energy: 5.359
local terms energy: -323.758747
where:
bonds (distance) C4'-P energy: -96.802
bonds (distance) P-C4' energy: -98.610
flat angles C4'-P-C4' energy: -81.262
flat angles P-C4'-P energy: -61.595
tors. eta vs tors. theta energy: 14.510
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: 1, replica: 4
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1903.288944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.288944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.288944 (E_RNA)
where:
Base-Base interactions energy: -1302.135
where: short stacking energy: -583.596
Base-Backbone interact. energy: 0.680
local terms energy: -601.834702
where:
bonds (distance) C4'-P energy: -115.715
bonds (distance) P-C4' energy: -121.307
flat angles C4'-P-C4' energy: -114.115
flat angles P-C4'-P energy: -81.493
tors. eta vs tors. theta energy: -169.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1807.763949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.763949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.763949 (E_RNA)
where:
Base-Base interactions energy: -1212.522
where: short stacking energy: -548.162
Base-Backbone interact. energy: -1.380
local terms energy: -593.861592
where:
bonds (distance) C4'-P energy: -115.084
bonds (distance) P-C4' energy: -119.289
flat angles C4'-P-C4' energy: -133.272
flat angles P-C4'-P energy: -77.678
tors. eta vs tors. theta energy: -148.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1756.690957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.690957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.690957 (E_RNA)
where:
Base-Base interactions energy: -1197.547
where: short stacking energy: -494.904
Base-Backbone interact. energy: -4.857
local terms energy: -554.286391
where:
bonds (distance) C4'-P energy: -101.462
bonds (distance) P-C4' energy: -110.432
flat angles C4'-P-C4' energy: -125.823
flat angles P-C4'-P energy: -76.958
tors. eta vs tors. theta energy: -139.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1642.491281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.491281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.491281 (E_RNA)
where:
Base-Base interactions energy: -1082.304
where: short stacking energy: -489.411
Base-Backbone interact. energy: -1.618
local terms energy: -558.569136
where:
bonds (distance) C4'-P energy: -99.472
bonds (distance) P-C4' energy: -120.101
flat angles C4'-P-C4' energy: -121.286
flat angles P-C4'-P energy: -79.848
tors. eta vs tors. theta energy: -137.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1435.481980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.481980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.481980 (E_RNA)
where:
Base-Base interactions energy: -909.347
where: short stacking energy: -401.644
Base-Backbone interact. energy: -0.996
local terms energy: -525.139248
where:
bonds (distance) C4'-P energy: -100.495
bonds (distance) P-C4' energy: -109.061
flat angles C4'-P-C4' energy: -115.780
flat angles P-C4'-P energy: -75.262
tors. eta vs tors. theta energy: -124.542
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: 76
Temperature: 1.150000
Total energy: -1301.996392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.996392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.996392 (E_RNA)
where:
Base-Base interactions energy: -831.334
where: short stacking energy: -353.419
Base-Backbone interact. energy: -1.178
local terms energy: -469.483947
where:
bonds (distance) C4'-P energy: -91.228
bonds (distance) P-C4' energy: -101.267
flat angles C4'-P-C4' energy: -109.978
flat angles P-C4'-P energy: -69.939
tors. eta vs tors. theta energy: -97.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1065.125877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.125877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.125877 (E_RNA)
where:
Base-Base interactions energy: -631.305
where: short stacking energy: -305.266
Base-Backbone interact. energy: -2.186
local terms energy: -431.635068
where:
bonds (distance) C4'-P energy: -98.243
bonds (distance) P-C4' energy: -109.060
flat angles C4'-P-C4' energy: -104.183
flat angles P-C4'-P energy: -65.290
tors. eta vs tors. theta energy: -54.858
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: 8, replica: 2
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -972.066999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.066999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.066999 (E_RNA)
where:
Base-Base interactions energy: -574.966
where: short stacking energy: -282.161
Base-Backbone interact. energy: -0.904
local terms energy: -396.196529
where:
bonds (distance) C4'-P energy: -85.596
bonds (distance) P-C4' energy: -97.041
flat angles C4'-P-C4' energy: -98.481
flat angles P-C4'-P energy: -59.488
tors. eta vs tors. theta energy: -55.591
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: 76
Temperature: 1.300000
Total energy: -743.168021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.168021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.168021 (E_RNA)
where:
Base-Base interactions energy: -392.680
where: short stacking energy: -214.891
Base-Backbone interact. energy: -2.144
local terms energy: -348.344352
where:
bonds (distance) C4'-P energy: -95.127
bonds (distance) P-C4' energy: -99.333
flat angles C4'-P-C4' energy: -92.640
flat angles P-C4'-P energy: -53.376
tors. eta vs tors. theta energy: -7.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -545.853882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.853882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.853882 (E_RNA)
where:
Base-Base interactions energy: -239.504
where: short stacking energy: -164.438
Base-Backbone interact. energy: -1.336
local terms energy: -305.013900
where:
bonds (distance) C4'-P energy: -76.025
bonds (distance) P-C4' energy: -102.730
flat angles C4'-P-C4' energy: -87.666
flat angles P-C4'-P energy: -41.846
tors. eta vs tors. theta energy: 3.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1861.561413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.561413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.561413 (E_RNA)
where:
Base-Base interactions energy: -1252.972
where: short stacking energy: -566.819
Base-Backbone interact. energy: -3.350
local terms energy: -605.240104
where:
bonds (distance) C4'-P energy: -109.141
bonds (distance) P-C4' energy: -113.354
flat angles C4'-P-C4' energy: -138.611
flat angles P-C4'-P energy: -85.565
tors. eta vs tors. theta energy: -158.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1824.851010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.851010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.851010 (E_RNA)
where:
Base-Base interactions energy: -1232.567
where: short stacking energy: -548.317
Base-Backbone interact. energy: -3.317
local terms energy: -588.967241
where:
bonds (distance) C4'-P energy: -121.340
bonds (distance) P-C4' energy: -115.313
flat angles C4'-P-C4' energy: -123.764
flat angles P-C4'-P energy: -78.114
tors. eta vs tors. theta energy: -150.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1758.754959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.754959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.754959 (E_RNA)
where:
Base-Base interactions energy: -1191.908
where: short stacking energy: -496.277
Base-Backbone interact. energy: -2.656
local terms energy: -564.190543
where:
bonds (distance) C4'-P energy: -106.220
bonds (distance) P-C4' energy: -118.505
flat angles C4'-P-C4' energy: -119.776
flat angles P-C4'-P energy: -76.190
tors. eta vs tors. theta energy: -143.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1702.635672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.635672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.635672 (E_RNA)
where:
Base-Base interactions energy: -1126.724
where: short stacking energy: -498.949
Base-Backbone interact. energy: -1.976
local terms energy: -573.935339
where:
bonds (distance) C4'-P energy: -108.681
bonds (distance) P-C4' energy: -111.969
flat angles C4'-P-C4' energy: -132.710
flat angles P-C4'-P energy: -85.674
tors. eta vs tors. theta energy: -134.901
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: 3
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1497.775231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.775231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.775231 (E_RNA)
where:
Base-Base interactions energy: -968.911
where: short stacking energy: -446.785
Base-Backbone interact. energy: -2.389
local terms energy: -526.475117
where:
bonds (distance) C4'-P energy: -117.044
bonds (distance) P-C4' energy: -104.795
flat angles C4'-P-C4' energy: -106.661
flat angles P-C4'-P energy: -69.452
tors. eta vs tors. theta energy: -128.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1300.497973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.497973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.497973 (E_RNA)
where:
Base-Base interactions energy: -830.609
where: short stacking energy: -354.250
Base-Backbone interact. energy: -0.202
local terms energy: -469.686206
where:
bonds (distance) C4'-P energy: -94.459
bonds (distance) P-C4' energy: -109.335
flat angles C4'-P-C4' energy: -115.598
flat angles P-C4'-P energy: -62.459
tors. eta vs tors. theta energy: -87.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -1086.277097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.277097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.277097 (E_RNA)
where:
Base-Base interactions energy: -640.393
where: short stacking energy: -311.207
Base-Backbone interact. energy: 5.606
local terms energy: -451.490184
where:
bonds (distance) C4'-P energy: -121.598
bonds (distance) P-C4' energy: -103.241
flat angles C4'-P-C4' energy: -93.122
flat angles P-C4'-P energy: -66.599
tors. eta vs tors. theta energy: -66.930
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: 2
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -958.784819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.784819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.784819 (E_RNA)
where:
Base-Base interactions energy: -573.852
where: short stacking energy: -302.832
Base-Backbone interact. energy: 3.599
local terms energy: -388.531965
where:
bonds (distance) C4'-P energy: -77.638
bonds (distance) P-C4' energy: -96.866
flat angles C4'-P-C4' energy: -93.288
flat angles P-C4'-P energy: -63.732
tors. eta vs tors. theta energy: -57.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -779.069120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.069120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.069120 (E_RNA)
where:
Base-Base interactions energy: -410.261
where: short stacking energy: -248.479
Base-Backbone interact. energy: 0.527
local terms energy: -369.335032
where:
bonds (distance) C4'-P energy: -95.155
bonds (distance) P-C4' energy: -95.239
flat angles C4'-P-C4' energy: -102.759
flat angles P-C4'-P energy: -43.365
tors. eta vs tors. theta energy: -32.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -533.306038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.306038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.306038 (E_RNA)
where:
Base-Base interactions energy: -234.163
where: short stacking energy: -144.589
Base-Backbone interact. energy: -2.967
local terms energy: -296.176771
where:
bonds (distance) C4'-P energy: -85.876
bonds (distance) P-C4' energy: -102.527
flat angles C4'-P-C4' energy: -79.145
flat angles P-C4'-P energy: -49.230
tors. eta vs tors. theta energy: 20.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1902.757342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.757342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.757342 (E_RNA)
where:
Base-Base interactions energy: -1267.397
where: short stacking energy: -590.230
Base-Backbone interact. energy: -2.938
local terms energy: -632.422835
where:
bonds (distance) C4'-P energy: -122.459
bonds (distance) P-C4' energy: -117.393
flat angles C4'-P-C4' energy: -133.156
flat angles P-C4'-P energy: -99.285
tors. eta vs tors. theta energy: -160.130
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: 7
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1835.209605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.209605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.209605 (E_RNA)
where:
Base-Base interactions energy: -1236.406
where: short stacking energy: -518.739
Base-Backbone interact. energy: -2.160
local terms energy: -596.644142
where:
bonds (distance) C4'-P energy: -113.991
bonds (distance) P-C4' energy: -115.340
flat angles C4'-P-C4' energy: -133.161
flat angles P-C4'-P energy: -85.384
tors. eta vs tors. theta energy: -148.769
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: 3, replica: 9
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1749.722329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.722329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.722329 (E_RNA)
where:
Base-Base interactions energy: -1198.237
where: short stacking energy: -495.194
Base-Backbone interact. energy: -3.788
local terms energy: -547.696928
where:
bonds (distance) C4'-P energy: -99.863
bonds (distance) P-C4' energy: -116.683
flat angles C4'-P-C4' energy: -111.085
flat angles P-C4'-P energy: -79.801
tors. eta vs tors. theta energy: -140.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1636.033054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.033054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.033054 (E_RNA)
where:
Base-Base interactions energy: -1088.386
where: short stacking energy: -487.824
Base-Backbone interact. energy: 1.241
local terms energy: -548.887907
where:
bonds (distance) C4'-P energy: -108.202
bonds (distance) P-C4' energy: -120.719
flat angles C4'-P-C4' energy: -118.538
flat angles P-C4'-P energy: -78.360
tors. eta vs tors. theta energy: -123.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1484.523379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.523379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.523379 (E_RNA)
where:
Base-Base interactions energy: -976.455
where: short stacking energy: -447.788
Base-Backbone interact. energy: -2.145
local terms energy: -505.923459
where:
bonds (distance) C4'-P energy: -102.794
bonds (distance) P-C4' energy: -92.817
flat angles C4'-P-C4' energy: -113.051
flat angles P-C4'-P energy: -77.231
tors. eta vs tors. theta energy: -120.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1367.162079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.162079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.162079 (E_RNA)
where:
Base-Base interactions energy: -902.347
where: short stacking energy: -363.131
Base-Backbone interact. energy: 0.212
local terms energy: -465.026842
where:
bonds (distance) C4'-P energy: -99.735
bonds (distance) P-C4' energy: -111.697
flat angles C4'-P-C4' energy: -118.467
flat angles P-C4'-P energy: -49.462
tors. eta vs tors. theta energy: -85.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1041.224275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.224275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.224275 (E_RNA)
where:
Base-Base interactions energy: -644.062
where: short stacking energy: -320.680
Base-Backbone interact. energy: -3.051
local terms energy: -394.111789
where:
bonds (distance) C4'-P energy: -104.502
bonds (distance) P-C4' energy: -90.879
flat angles C4'-P-C4' energy: -97.670
flat angles P-C4'-P energy: -45.533
tors. eta vs tors. theta energy: -55.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -959.147288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.147288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.147288 (E_RNA)
where:
Base-Base interactions energy: -574.663
where: short stacking energy: -264.812
Base-Backbone interact. energy: -0.418
local terms energy: -384.066364
where:
bonds (distance) C4'-P energy: -106.654
bonds (distance) P-C4' energy: -88.012
flat angles C4'-P-C4' energy: -94.434
flat angles P-C4'-P energy: -59.170
tors. eta vs tors. theta energy: -35.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -792.927794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.927794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.927794 (E_RNA)
where:
Base-Base interactions energy: -456.052
where: short stacking energy: -234.609
Base-Backbone interact. energy: -1.431
local terms energy: -335.445337
where:
bonds (distance) C4'-P energy: -79.636
bonds (distance) P-C4' energy: -112.318
flat angles C4'-P-C4' energy: -67.916
flat angles P-C4'-P energy: -51.856
tors. eta vs tors. theta energy: -23.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -562.641246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.641246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.641246 (E_RNA)
where:
Base-Base interactions energy: -247.290
where: short stacking energy: -156.795
Base-Backbone interact. energy: 2.820
local terms energy: -318.171383
where:
bonds (distance) C4'-P energy: -89.043
bonds (distance) P-C4' energy: -95.827
flat angles C4'-P-C4' energy: -76.930
flat angles P-C4'-P energy: -61.079
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: 1, replica: 4
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1877.548801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.548801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.548801 (E_RNA)
where:
Base-Base interactions energy: -1286.307
where: short stacking energy: -564.530
Base-Backbone interact. energy: -1.510
local terms energy: -589.731685
where:
bonds (distance) C4'-P energy: -110.126
bonds (distance) P-C4' energy: -121.272
flat angles C4'-P-C4' energy: -125.957
flat angles P-C4'-P energy: -79.560
tors. eta vs tors. theta energy: -152.817
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: 7
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1851.911012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.911012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.911012 (E_RNA)
where:
Base-Base interactions energy: -1257.644
where: short stacking energy: -528.686
Base-Backbone interact. energy: -3.417
local terms energy: -590.849123
where:
bonds (distance) C4'-P energy: -104.346
bonds (distance) P-C4' energy: -126.771
flat angles C4'-P-C4' energy: -115.870
flat angles P-C4'-P energy: -89.394
tors. eta vs tors. theta energy: -154.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1732.377993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.377993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.377993 (E_RNA)
where:
Base-Base interactions energy: -1183.719
where: short stacking energy: -535.084
Base-Backbone interact. energy: -1.859
local terms energy: -546.799965
where:
bonds (distance) C4'-P energy: -112.211
bonds (distance) P-C4' energy: -104.916
flat angles C4'-P-C4' energy: -109.995
flat angles P-C4'-P energy: -80.076
tors. eta vs tors. theta energy: -139.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1694.036250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.036250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.036250 (E_RNA)
where:
Base-Base interactions energy: -1138.714
where: short stacking energy: -475.701
Base-Backbone interact. energy: -0.323
local terms energy: -554.998316
where:
bonds (distance) C4'-P energy: -116.594
bonds (distance) P-C4' energy: -118.254
flat angles C4'-P-C4' energy: -124.056
flat angles P-C4'-P energy: -77.474
tors. eta vs tors. theta energy: -118.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1506.176882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.176882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.176882 (E_RNA)
where:
Base-Base interactions energy: -1008.959
where: short stacking energy: -433.498
Base-Backbone interact. energy: -1.327
local terms energy: -495.890668
where:
bonds (distance) C4'-P energy: -95.349
bonds (distance) P-C4' energy: -115.111
flat angles C4'-P-C4' energy: -114.270
flat angles P-C4'-P energy: -59.282
tors. eta vs tors. theta energy: -111.880
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: 6, replica: 1
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1370.189295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.189295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.189295 (E_RNA)
where:
Base-Base interactions energy: -893.095
where: short stacking energy: -371.885
Base-Backbone interact. energy: -2.170
local terms energy: -474.924353
where:
bonds (distance) C4'-P energy: -104.152
bonds (distance) P-C4' energy: -101.739
flat angles C4'-P-C4' energy: -123.112
flat angles P-C4'-P energy: -60.691
tors. eta vs tors. theta energy: -85.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -1136.268480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.268480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.268480 (E_RNA)
where:
Base-Base interactions energy: -668.207
where: short stacking energy: -332.156
Base-Backbone interact. energy: 3.151
local terms energy: -471.212914
where:
bonds (distance) C4'-P energy: -101.288
bonds (distance) P-C4' energy: -109.469
flat angles C4'-P-C4' energy: -112.585
flat angles P-C4'-P energy: -61.208
tors. eta vs tors. theta energy: -86.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -1008.937209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.937209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.937209 (E_RNA)
where:
Base-Base interactions energy: -625.884
where: short stacking energy: -260.540
Base-Backbone interact. energy: -1.222
local terms energy: -381.831155
where:
bonds (distance) C4'-P energy: -87.614
bonds (distance) P-C4' energy: -104.609
flat angles C4'-P-C4' energy: -91.838
flat angles P-C4'-P energy: -62.534
tors. eta vs tors. theta energy: -35.235
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: 5
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -729.076674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.076674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.076674 (E_RNA)
where:
Base-Base interactions energy: -384.057
where: short stacking energy: -221.325
Base-Backbone interact. energy: 0.752
local terms energy: -345.771830
where:
bonds (distance) C4'-P energy: -92.944
bonds (distance) P-C4' energy: -96.727
flat angles C4'-P-C4' energy: -90.654
flat angles P-C4'-P energy: -58.237
tors. eta vs tors. theta energy: -7.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -559.812951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.812951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.812951 (E_RNA)
where:
Base-Base interactions energy: -251.857
where: short stacking energy: -140.763
Base-Backbone interact. energy: 1.292
local terms energy: -309.247448
where:
bonds (distance) C4'-P energy: -91.110
bonds (distance) P-C4' energy: -102.908
flat angles C4'-P-C4' energy: -84.247
flat angles P-C4'-P energy: -39.545
tors. eta vs tors. theta energy: 8.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1869.713433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.713433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.713433 (E_RNA)
where:
Base-Base interactions energy: -1264.517
where: short stacking energy: -553.507
Base-Backbone interact. energy: 0.437
local terms energy: -605.633973
where:
bonds (distance) C4'-P energy: -114.417
bonds (distance) P-C4' energy: -117.602
flat angles C4'-P-C4' energy: -126.190
flat angles P-C4'-P energy: -79.480
tors. eta vs tors. theta energy: -167.944
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: 2, replica: 4
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1873.852143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.852143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.852143 (E_RNA)
where:
Base-Base interactions energy: -1287.202
where: short stacking energy: -548.200
Base-Backbone interact. energy: 0.852
local terms energy: -587.501606
where:
bonds (distance) C4'-P energy: -105.662
bonds (distance) P-C4' energy: -117.968
flat angles C4'-P-C4' energy: -128.353
flat angles P-C4'-P energy: -81.469
tors. eta vs tors. theta energy: -154.050
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: 9
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1759.619900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.619900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.619900 (E_RNA)
where:
Base-Base interactions energy: -1191.437
where: short stacking energy: -515.625
Base-Backbone interact. energy: 2.376
local terms energy: -570.558851
where:
bonds (distance) C4'-P energy: -111.084
bonds (distance) P-C4' energy: -107.698
flat angles C4'-P-C4' energy: -128.009
flat angles P-C4'-P energy: -79.263
tors. eta vs tors. theta energy: -144.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1613.880503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.880503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.880503 (E_RNA)
where:
Base-Base interactions energy: -1086.092
where: short stacking energy: -469.797
Base-Backbone interact. energy: -2.061
local terms energy: -525.727377
where:
bonds (distance) C4'-P energy: -97.933
bonds (distance) P-C4' energy: -115.615
flat angles C4'-P-C4' energy: -110.577
flat angles P-C4'-P energy: -71.889
tors. eta vs tors. theta energy: -129.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1490.583356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.583356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.583356 (E_RNA)
where:
Base-Base interactions energy: -973.003
where: short stacking energy: -444.855
Base-Backbone interact. energy: -0.156
local terms energy: -517.424387
where:
bonds (distance) C4'-P energy: -107.835
bonds (distance) P-C4' energy: -97.355
flat angles C4'-P-C4' energy: -122.553
flat angles P-C4'-P energy: -73.640
tors. eta vs tors. theta energy: -116.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1432.257691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.257691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.257691 (E_RNA)
where:
Base-Base interactions energy: -970.722
where: short stacking energy: -410.561
Base-Backbone interact. energy: -0.983
local terms energy: -460.552168
where:
bonds (distance) C4'-P energy: -92.256
bonds (distance) P-C4' energy: -106.504
flat angles C4'-P-C4' energy: -102.246
flat angles P-C4'-P energy: -66.987
tors. eta vs tors. theta energy: -92.559
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: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -1146.417155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.417155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.417155 (E_RNA)
where:
Base-Base interactions energy: -708.001
where: short stacking energy: -324.384
Base-Backbone interact. energy: 1.393
local terms energy: -439.808771
where:
bonds (distance) C4'-P energy: -100.793
bonds (distance) P-C4' energy: -108.134
flat angles C4'-P-C4' energy: -105.302
flat angles P-C4'-P energy: -62.480
tors. eta vs tors. theta energy: -63.100
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: 2
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -1082.997080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.997080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.997080 (E_RNA)
where:
Base-Base interactions energy: -675.356
where: short stacking energy: -294.998
Base-Backbone interact. energy: -3.105
local terms energy: -404.536037
where:
bonds (distance) C4'-P energy: -89.576
bonds (distance) P-C4' energy: -115.033
flat angles C4'-P-C4' energy: -102.809
flat angles P-C4'-P energy: -61.752
tors. eta vs tors. theta energy: -35.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -773.156970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.156970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.156970 (E_RNA)
where:
Base-Base interactions energy: -410.180
where: short stacking energy: -205.259
Base-Backbone interact. energy: -2.573
local terms energy: -360.403898
where:
bonds (distance) C4'-P energy: -108.075
bonds (distance) P-C4' energy: -101.179
flat angles C4'-P-C4' energy: -75.656
flat angles P-C4'-P energy: -54.282
tors. eta vs tors. theta energy: -21.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -575.702409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.702409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.702409 (E_RNA)
where:
Base-Base interactions energy: -269.542
where: short stacking energy: -167.784
Base-Backbone interact. energy: 4.002
local terms energy: -310.162532
where:
bonds (distance) C4'-P energy: -91.989
bonds (distance) P-C4' energy: -95.727
flat angles C4'-P-C4' energy: -88.844
flat angles P-C4'-P energy: -38.243
tors. eta vs tors. theta energy: 4.641
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: 1, replica: 7
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1852.836716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.836716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.836716 (E_RNA)
where:
Base-Base interactions energy: -1250.088
where: short stacking energy: -525.010
Base-Backbone interact. energy: -1.771
local terms energy: -600.977637
where:
bonds (distance) C4'-P energy: -112.248
bonds (distance) P-C4' energy: -118.697
flat angles C4'-P-C4' energy: -129.537
flat angles P-C4'-P energy: -88.988
tors. eta vs tors. theta energy: -151.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1830.323472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.323472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.323472 (E_RNA)
where:
Base-Base interactions energy: -1240.489
where: short stacking energy: -524.028
Base-Backbone interact. energy: -3.803
local terms energy: -586.031226
where:
bonds (distance) C4'-P energy: -113.642
bonds (distance) P-C4' energy: -115.941
flat angles C4'-P-C4' energy: -136.803
flat angles P-C4'-P energy: -74.122
tors. eta vs tors. theta energy: -145.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1820.454989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.454989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.454989 (E_RNA)
where:
Base-Base interactions energy: -1254.936
where: short stacking energy: -528.687
Base-Backbone interact. energy: -1.777
local terms energy: -563.741575
where:
bonds (distance) C4'-P energy: -109.054
bonds (distance) P-C4' energy: -100.120
flat angles C4'-P-C4' energy: -120.182
flat angles P-C4'-P energy: -96.508
tors. eta vs tors. theta energy: -137.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1623.560306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.560306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.560306 (E_RNA)
where:
Base-Base interactions energy: -1106.687
where: short stacking energy: -461.739
Base-Backbone interact. energy: -1.371
local terms energy: -515.502031
where:
bonds (distance) C4'-P energy: -96.947
bonds (distance) P-C4' energy: -108.459
flat angles C4'-P-C4' energy: -108.050
flat angles P-C4'-P energy: -77.059
tors. eta vs tors. theta energy: -124.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1468.305334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.305334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.305334 (E_RNA)
where:
Base-Base interactions energy: -932.000
where: short stacking energy: -423.340
Base-Backbone interact. energy: -1.409
local terms energy: -534.896640
where:
bonds (distance) C4'-P energy: -113.391
bonds (distance) P-C4' energy: -110.351
flat angles C4'-P-C4' energy: -131.489
flat angles P-C4'-P energy: -72.696
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: 6, replica: 1
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1430.236665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.236665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.236665 (E_RNA)
where:
Base-Base interactions energy: -930.736
where: short stacking energy: -388.716
Base-Backbone interact. energy: -2.516
local terms energy: -496.984718
where:
bonds (distance) C4'-P energy: -116.298
bonds (distance) P-C4' energy: -93.812
flat angles C4'-P-C4' energy: -119.765
flat angles P-C4'-P energy: -75.586
tors. eta vs tors. theta energy: -91.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -1135.284045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.284045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.284045 (E_RNA)
where:
Base-Base interactions energy: -686.321
where: short stacking energy: -337.644
Base-Backbone interact. energy: -0.125
local terms energy: -448.838703
where:
bonds (distance) C4'-P energy: -103.960
bonds (distance) P-C4' energy: -107.604
flat angles C4'-P-C4' energy: -92.014
flat angles P-C4'-P energy: -70.557
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: 2
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -1092.863568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.863568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.863568 (E_RNA)
where:
Base-Base interactions energy: -706.344
where: short stacking energy: -299.247
Base-Backbone interact. energy: -1.451
local terms energy: -385.068110
where:
bonds (distance) C4'-P energy: -92.665
bonds (distance) P-C4' energy: -98.553
flat angles C4'-P-C4' energy: -74.099
flat angles P-C4'-P energy: -60.393
tors. eta vs tors. theta energy: -59.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -749.643823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.643823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.643823 (E_RNA)
where:
Base-Base interactions energy: -393.585
where: short stacking energy: -213.418
Base-Backbone interact. energy: -3.072
local terms energy: -352.986701
where:
bonds (distance) C4'-P energy: -96.273
bonds (distance) P-C4' energy: -117.984
flat angles C4'-P-C4' energy: -67.242
flat angles P-C4'-P energy: -50.716
tors. eta vs tors. theta energy: -20.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -542.534197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.534197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.534197 (E_RNA)
where:
Base-Base interactions energy: -214.065
where: short stacking energy: -129.519
Base-Backbone interact. energy: -0.855
local terms energy: -327.614277
where:
bonds (distance) C4'-P energy: -87.542
bonds (distance) P-C4' energy: -113.955
flat angles C4'-P-C4' energy: -73.522
flat angles P-C4'-P energy: -63.973
tors. eta vs tors. theta energy: 11.377
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: 7
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1854.982883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.982883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.982883 (E_RNA)
where:
Base-Base interactions energy: -1243.368
where: short stacking energy: -545.546
Base-Backbone interact. energy: -7.062
local terms energy: -604.552517
where:
bonds (distance) C4'-P energy: -119.403
bonds (distance) P-C4' energy: -116.358
flat angles C4'-P-C4' energy: -129.836
flat angles P-C4'-P energy: -90.555
tors. eta vs tors. theta energy: -148.400
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: 4
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1838.297909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.297909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.297909 (E_RNA)
where:
Base-Base interactions energy: -1224.302
where: short stacking energy: -526.707
Base-Backbone interact. energy: -1.050
local terms energy: -612.945755
where:
bonds (distance) C4'-P energy: -134.323
bonds (distance) P-C4' energy: -111.438
flat angles C4'-P-C4' energy: -140.309
flat angles P-C4'-P energy: -82.558
tors. eta vs tors. theta energy: -144.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1798.139552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.139552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.139552 (E_RNA)
where:
Base-Base interactions energy: -1210.035
where: short stacking energy: -539.764
Base-Backbone interact. energy: -1.457
local terms energy: -586.648150
where:
bonds (distance) C4'-P energy: -116.675
bonds (distance) P-C4' energy: -107.690
flat angles C4'-P-C4' energy: -133.188
flat angles P-C4'-P energy: -79.457
tors. eta vs tors. theta energy: -149.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -1650.423037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.423037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.423037 (E_RNA)
where:
Base-Base interactions energy: -1118.455
where: short stacking energy: -475.140
Base-Backbone interact. energy: -1.193
local terms energy: -530.775147
where:
bonds (distance) C4'-P energy: -115.170
bonds (distance) P-C4' energy: -96.480
flat angles C4'-P-C4' energy: -120.734
flat angles P-C4'-P energy: -64.159
tors. eta vs tors. theta energy: -134.233
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: 1
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1443.694734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.694734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.694734 (E_RNA)
where:
Base-Base interactions energy: -921.213
where: short stacking energy: -413.514
Base-Backbone interact. energy: 4.744
local terms energy: -527.225769
where:
bonds (distance) C4'-P energy: -107.060
bonds (distance) P-C4' energy: -107.198
flat angles C4'-P-C4' energy: -125.848
flat angles P-C4'-P energy: -76.532
tors. eta vs tors. theta energy: -110.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1362.656321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.656321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.656321 (E_RNA)
where:
Base-Base interactions energy: -875.696
where: short stacking energy: -389.552
Base-Backbone interact. energy: -3.102
local terms energy: -483.857421
where:
bonds (distance) C4'-P energy: -108.282
bonds (distance) P-C4' energy: -108.078
flat angles C4'-P-C4' energy: -106.214
flat angles P-C4'-P energy: -59.977
tors. eta vs tors. theta energy: -101.306
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: 82
Temperature: 1.200000
Total energy: -1187.559087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.559087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.559087 (E_RNA)
where:
Base-Base interactions energy: -737.029
where: short stacking energy: -345.349
Base-Backbone interact. energy: -0.862
local terms energy: -449.667880
where:
bonds (distance) C4'-P energy: -99.943
bonds (distance) P-C4' energy: -100.359
flat angles C4'-P-C4' energy: -109.563
flat angles P-C4'-P energy: -68.227
tors. eta vs tors. theta energy: -71.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -1113.279378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.279378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.279378 (E_RNA)
where:
Base-Base interactions energy: -657.148
where: short stacking energy: -332.623
Base-Backbone interact. energy: -0.625
local terms energy: -455.506241
where:
bonds (distance) C4'-P energy: -109.737
bonds (distance) P-C4' energy: -112.138
flat angles C4'-P-C4' energy: -100.792
flat angles P-C4'-P energy: -66.269
tors. eta vs tors. theta energy: -66.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -593.615703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.615703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.615703 (E_RNA)
where:
Base-Base interactions energy: -290.553
where: short stacking energy: -178.110
Base-Backbone interact. energy: -0.061
local terms energy: -303.001701
where:
bonds (distance) C4'-P energy: -91.115
bonds (distance) P-C4' energy: -110.040
flat angles C4'-P-C4' energy: -77.448
flat angles P-C4'-P energy: -38.796
tors. eta vs tors. theta energy: 14.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -625.871319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.871319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.871319 (E_RNA)
where:
Base-Base interactions energy: -313.795
where: short stacking energy: -181.614
Base-Backbone interact. energy: 0.997
local terms energy: -313.072857
where:
bonds (distance) C4'-P energy: -59.815
bonds (distance) P-C4' energy: -105.814
flat angles C4'-P-C4' energy: -73.421
flat angles P-C4'-P energy: -61.301
tors. eta vs tors. theta energy: -12.722
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: 1, replica: 7
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1890.424632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.424632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.424632 (E_RNA)
where:
Base-Base interactions energy: -1286.195
where: short stacking energy: -554.356
Base-Backbone interact. energy: -2.370
local terms energy: -601.859991
where:
bonds (distance) C4'-P energy: -105.115
bonds (distance) P-C4' energy: -117.915
flat angles C4'-P-C4' energy: -141.193
flat angles P-C4'-P energy: -95.268
tors. eta vs tors. theta energy: -142.370
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: 9
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1854.720387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.720387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.720387 (E_RNA)
where:
Base-Base interactions energy: -1260.688
where: short stacking energy: -561.060
Base-Backbone interact. energy: -3.660
local terms energy: -590.372825
where:
bonds (distance) C4'-P energy: -118.826
bonds (distance) P-C4' energy: -112.310
flat angles C4'-P-C4' energy: -128.922
flat angles P-C4'-P energy: -85.212
tors. eta vs tors. theta energy: -145.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1785.183767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.183767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.183767 (E_RNA)
where:
Base-Base interactions energy: -1188.534
where: short stacking energy: -505.543
Base-Backbone interact. energy: -1.010
local terms energy: -595.639535
where:
bonds (distance) C4'-P energy: -121.182
bonds (distance) P-C4' energy: -110.351
flat angles C4'-P-C4' energy: -131.243
flat angles P-C4'-P energy: -82.804
tors. eta vs tors. theta energy: -150.060
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: 83
Temperature: 1.050000
Total energy: -1618.358752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.358752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.358752 (E_RNA)
where:
Base-Base interactions energy: -1064.724
where: short stacking energy: -467.042
Base-Backbone interact. energy: 6.178
local terms energy: -559.812659
where:
bonds (distance) C4'-P energy: -108.822
bonds (distance) P-C4' energy: -103.858
flat angles C4'-P-C4' energy: -129.100
flat angles P-C4'-P energy: -76.338
tors. eta vs tors. theta energy: -141.694
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: 1
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1498.165489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.165489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.165489 (E_RNA)
where:
Base-Base interactions energy: -996.156
where: short stacking energy: -415.463
Base-Backbone interact. energy: 1.720
local terms energy: -503.729245
where:
bonds (distance) C4'-P energy: -98.856
bonds (distance) P-C4' energy: -118.813
flat angles C4'-P-C4' energy: -119.384
flat angles P-C4'-P energy: -49.555
tors. eta vs tors. theta energy: -117.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1383.153555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.153555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.153555 (E_RNA)
where:
Base-Base interactions energy: -885.876
where: short stacking energy: -406.609
Base-Backbone interact. energy: -1.826
local terms energy: -495.451678
where:
bonds (distance) C4'-P energy: -101.537
bonds (distance) P-C4' energy: -107.110
flat angles C4'-P-C4' energy: -114.458
flat angles P-C4'-P energy: -60.218
tors. eta vs tors. theta energy: -112.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -1138.112530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.112530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.112530 (E_RNA)
where:
Base-Base interactions energy: -708.736
where: short stacking energy: -309.724
Base-Backbone interact. energy: -1.786
local terms energy: -427.590008
where:
bonds (distance) C4'-P energy: -101.253
bonds (distance) P-C4' energy: -88.639
flat angles C4'-P-C4' energy: -111.946
flat angles P-C4'-P energy: -70.523
tors. eta vs tors. theta energy: -55.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -1146.375588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.375588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.375588 (E_RNA)
where:
Base-Base interactions energy: -706.590
where: short stacking energy: -349.020
Base-Backbone interact. energy: 2.052
local terms energy: -441.837693
where:
bonds (distance) C4'-P energy: -86.782
bonds (distance) P-C4' energy: -97.442
flat angles C4'-P-C4' energy: -107.643
flat angles P-C4'-P energy: -75.664
tors. eta vs tors. theta energy: -74.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -620.454281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.454281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.454281 (E_RNA)
where:
Base-Base interactions energy: -247.038
where: short stacking energy: -171.842
Base-Backbone interact. energy: -1.616
local terms energy: -371.799838
where:
bonds (distance) C4'-P energy: -99.858
bonds (distance) P-C4' energy: -106.555
flat angles C4'-P-C4' energy: -99.972
flat angles P-C4'-P energy: -63.702
tors. eta vs tors. theta energy: -1.713
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: 10, replica: 5
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -552.193603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.193603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.193603 (E_RNA)
where:
Base-Base interactions energy: -256.959
where: short stacking energy: -156.206
Base-Backbone interact. energy: 0.987
local terms energy: -296.221416
where:
bonds (distance) C4'-P energy: -77.439
bonds (distance) P-C4' energy: -103.717
flat angles C4'-P-C4' energy: -79.374
flat angles P-C4'-P energy: -52.545
tors. eta vs tors. theta energy: 16.853
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: 7
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1905.935012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.935012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.935012 (E_RNA)
where:
Base-Base interactions energy: -1281.213
where: short stacking energy: -558.706
Base-Backbone interact. energy: -4.578
local terms energy: -620.143844
where:
bonds (distance) C4'-P energy: -108.348
bonds (distance) P-C4' energy: -121.017
flat angles C4'-P-C4' energy: -133.890
flat angles P-C4'-P energy: -93.116
tors. eta vs tors. theta energy: -163.773
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: 9
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1857.030174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.030174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.030174 (E_RNA)
where:
Base-Base interactions energy: -1253.480
where: short stacking energy: -529.299
Base-Backbone interact. energy: -1.225
local terms energy: -602.325224
where:
bonds (distance) C4'-P energy: -111.591
bonds (distance) P-C4' energy: -121.777
flat angles C4'-P-C4' energy: -131.715
flat angles P-C4'-P energy: -84.716
tors. eta vs tors. theta energy: -152.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1811.472161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.472161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.472161 (E_RNA)
where:
Base-Base interactions energy: -1217.284
where: short stacking energy: -535.938
Base-Backbone interact. energy: -0.612
local terms energy: -593.575895
where:
bonds (distance) C4'-P energy: -113.586
bonds (distance) P-C4' energy: -119.923
flat angles C4'-P-C4' energy: -122.834
flat angles P-C4'-P energy: -77.778
tors. eta vs tors. theta energy: -159.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1626.172596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.172596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.172596 (E_RNA)
where:
Base-Base interactions energy: -1085.181
where: short stacking energy: -471.062
Base-Backbone interact. energy: -1.538
local terms energy: -539.453771
where:
bonds (distance) C4'-P energy: -97.872
bonds (distance) P-C4' energy: -111.839
flat angles C4'-P-C4' energy: -125.555
flat angles P-C4'-P energy: -79.841
tors. eta vs tors. theta energy: -124.346
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: 5, replica: 1
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1529.051373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.051373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.051373 (E_RNA)
where:
Base-Base interactions energy: -999.607
where: short stacking energy: -425.028
Base-Backbone interact. energy: -1.320
local terms energy: -528.124276
where:
bonds (distance) C4'-P energy: -107.850
bonds (distance) P-C4' energy: -125.160
flat angles C4'-P-C4' energy: -115.002
flat angles P-C4'-P energy: -64.481
tors. eta vs tors. theta energy: -115.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1337.356368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.356368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.356368 (E_RNA)
where:
Base-Base interactions energy: -851.462
where: short stacking energy: -372.086
Base-Backbone interact. energy: -1.830
local terms energy: -484.064271
where:
bonds (distance) C4'-P energy: -85.692
bonds (distance) P-C4' energy: -117.544
flat angles C4'-P-C4' energy: -119.807
flat angles P-C4'-P energy: -69.381
tors. eta vs tors. theta energy: -91.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -1179.483948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.483948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.483948 (E_RNA)
where:
Base-Base interactions energy: -717.395
where: short stacking energy: -358.855
Base-Backbone interact. energy: 0.579
local terms energy: -462.667909
where:
bonds (distance) C4'-P energy: -91.055
bonds (distance) P-C4' energy: -103.214
flat angles C4'-P-C4' energy: -107.522
flat angles P-C4'-P energy: -76.529
tors. eta vs tors. theta energy: -84.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -1094.026485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.026485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.026485 (E_RNA)
where:
Base-Base interactions energy: -686.746
where: short stacking energy: -306.602
Base-Backbone interact. energy: -1.448
local terms energy: -405.833307
where:
bonds (distance) C4'-P energy: -78.219
bonds (distance) P-C4' energy: -88.139
flat angles C4'-P-C4' energy: -115.160
flat angles P-C4'-P energy: -56.871
tors. eta vs tors. theta energy: -67.445
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: 84
Temperature: 1.300000
Total energy: -596.399943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.399943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.399943 (E_RNA)
where:
Base-Base interactions energy: -270.181
where: short stacking energy: -177.406
Base-Backbone interact. energy: -3.208
local terms energy: -323.010322
where:
bonds (distance) C4'-P energy: -96.203
bonds (distance) P-C4' energy: -88.448
flat angles C4'-P-C4' energy: -72.671
flat angles P-C4'-P energy: -53.360
tors. eta vs tors. theta energy: -12.329
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: 10, replica: 8
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -571.665683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.665683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.665683 (E_RNA)
where:
Base-Base interactions energy: -266.329
where: short stacking energy: -163.048
Base-Backbone interact. energy: -3.547
local terms energy: -301.789699
where:
bonds (distance) C4'-P energy: -91.169
bonds (distance) P-C4' energy: -90.180
flat angles C4'-P-C4' energy: -66.920
flat angles P-C4'-P energy: -55.331
tors. eta vs tors. theta energy: 1.810
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: 7
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1895.473502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.473502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.473502 (E_RNA)
where:
Base-Base interactions energy: -1281.928
where: short stacking energy: -516.801
Base-Backbone interact. energy: -2.602
local terms energy: -610.943031
where:
bonds (distance) C4'-P energy: -129.350
bonds (distance) P-C4' energy: -116.939
flat angles C4'-P-C4' energy: -133.321
flat angles P-C4'-P energy: -86.250
tors. eta vs tors. theta energy: -145.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1891.030606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.030606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.030606 (E_RNA)
where:
Base-Base interactions energy: -1299.055
where: short stacking energy: -561.117
Base-Backbone interact. energy: -2.662
local terms energy: -589.314194
where:
bonds (distance) C4'-P energy: -102.748
bonds (distance) P-C4' energy: -106.328
flat angles C4'-P-C4' energy: -133.883
flat angles P-C4'-P energy: -78.496
tors. eta vs tors. theta energy: -167.859
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: 4
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1818.218297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.218297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.218297 (E_RNA)
where:
Base-Base interactions energy: -1227.891
where: short stacking energy: -525.122
Base-Backbone interact. energy: 3.623
local terms energy: -593.950419
where:
bonds (distance) C4'-P energy: -111.979
bonds (distance) P-C4' energy: -125.161
flat angles C4'-P-C4' energy: -124.246
flat angles P-C4'-P energy: -84.151
tors. eta vs tors. theta energy: -148.414
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: 6
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1642.416643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.416643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.416643 (E_RNA)
where:
Base-Base interactions energy: -1095.448
where: short stacking energy: -474.889
Base-Backbone interact. energy: 1.292
local terms energy: -548.260452
where:
bonds (distance) C4'-P energy: -99.546
bonds (distance) P-C4' energy: -111.570
flat angles C4'-P-C4' energy: -117.058
flat angles P-C4'-P energy: -80.856
tors. eta vs tors. theta energy: -139.230
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: 1
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1524.723453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.723453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.723453 (E_RNA)
where:
Base-Base interactions energy: -996.248
where: short stacking energy: -433.006
Base-Backbone interact. energy: -1.913
local terms energy: -526.561943
where:
bonds (distance) C4'-P energy: -104.770
bonds (distance) P-C4' energy: -108.781
flat angles C4'-P-C4' energy: -112.226
flat angles P-C4'-P energy: -76.464
tors. eta vs tors. theta energy: -124.322
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: 3
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1373.066831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.066831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.066831 (E_RNA)
where:
Base-Base interactions energy: -890.132
where: short stacking energy: -407.395
Base-Backbone interact. energy: -2.458
local terms energy: -480.476850
where:
bonds (distance) C4'-P energy: -112.269
bonds (distance) P-C4' energy: -92.756
flat angles C4'-P-C4' energy: -110.140
flat angles P-C4'-P energy: -56.791
tors. eta vs tors. theta energy: -108.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -1149.600242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.600242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.600242 (E_RNA)
where:
Base-Base interactions energy: -714.527
where: short stacking energy: -362.207
Base-Backbone interact. energy: -0.640
local terms energy: -434.433911
where:
bonds (distance) C4'-P energy: -90.108
bonds (distance) P-C4' energy: -95.226
flat angles C4'-P-C4' energy: -101.100
flat angles P-C4'-P energy: -69.651
tors. eta vs tors. theta energy: -78.348
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: 8, replica: 2
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -1102.643455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.643455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.643455 (E_RNA)
where:
Base-Base interactions energy: -673.808
where: short stacking energy: -317.170
Base-Backbone interact. energy: -1.908
local terms energy: -426.927386
where:
bonds (distance) C4'-P energy: -95.685
bonds (distance) P-C4' energy: -95.871
flat angles C4'-P-C4' energy: -96.045
flat angles P-C4'-P energy: -75.449
tors. eta vs tors. theta energy: -63.878
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: 5
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -607.375769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.375769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.375769 (E_RNA)
where:
Base-Base interactions energy: -272.643
where: short stacking energy: -172.881
Base-Backbone interact. energy: 6.207
local terms energy: -340.939403
where:
bonds (distance) C4'-P energy: -100.327
bonds (distance) P-C4' energy: -109.321
flat angles C4'-P-C4' energy: -77.512
flat angles P-C4'-P energy: -38.041
tors. eta vs tors. theta energy: -15.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -543.482292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.482292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.482292 (E_RNA)
where:
Base-Base interactions energy: -202.198
where: short stacking energy: -128.911
Base-Backbone interact. energy: -0.436
local terms energy: -340.847830
where:
bonds (distance) C4'-P energy: -101.967
bonds (distance) P-C4' energy: -88.894
flat angles C4'-P-C4' energy: -105.311
flat angles P-C4'-P energy: -62.462
tors. eta vs tors. theta energy: 17.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1906.922601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.922601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.922601 (E_RNA)
where:
Base-Base interactions energy: -1270.625
where: short stacking energy: -577.401
Base-Backbone interact. energy: -0.938
local terms energy: -635.358715
where:
bonds (distance) C4'-P energy: -117.112
bonds (distance) P-C4' energy: -124.001
flat angles C4'-P-C4' energy: -135.014
flat angles P-C4'-P energy: -94.527
tors. eta vs tors. theta energy: -164.704
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: 2, replica: 9
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1887.136131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.136131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.136131 (E_RNA)
where:
Base-Base interactions energy: -1291.337
where: short stacking energy: -533.129
Base-Backbone interact. energy: -0.082
local terms energy: -595.717885
where:
bonds (distance) C4'-P energy: -116.231
bonds (distance) P-C4' energy: -115.215
flat angles C4'-P-C4' energy: -131.802
flat angles P-C4'-P energy: -83.917
tors. eta vs tors. theta energy: -148.553
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: 4
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -1820.632199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.632199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.632199 (E_RNA)
where:
Base-Base interactions energy: -1222.422
where: short stacking energy: -540.632
Base-Backbone interact. energy: -0.433
local terms energy: -597.776966
where:
bonds (distance) C4'-P energy: -123.824
bonds (distance) P-C4' energy: -97.909
flat angles C4'-P-C4' energy: -139.873
flat angles P-C4'-P energy: -78.905
tors. eta vs tors. theta energy: -157.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1650.029259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.029259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.029259 (E_RNA)
where:
Base-Base interactions energy: -1129.066
where: short stacking energy: -492.704
Base-Backbone interact. energy: 2.888
local terms energy: -523.851956
where:
bonds (distance) C4'-P energy: -92.295
bonds (distance) P-C4' energy: -112.950
flat angles C4'-P-C4' energy: -101.257
flat angles P-C4'-P energy: -76.518
tors. eta vs tors. theta energy: -140.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1587.295391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.295391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.295391 (E_RNA)
where:
Base-Base interactions energy: -1031.878
where: short stacking energy: -480.725
Base-Backbone interact. energy: -1.100
local terms energy: -554.317208
where:
bonds (distance) C4'-P energy: -127.087
bonds (distance) P-C4' energy: -107.322
flat angles C4'-P-C4' energy: -111.202
flat angles P-C4'-P energy: -78.841
tors. eta vs tors. theta energy: -129.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1344.397838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.397838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.397838 (E_RNA)
where:
Base-Base interactions energy: -848.050
where: short stacking energy: -367.849
Base-Backbone interact. energy: -4.124
local terms energy: -492.223903
where:
bonds (distance) C4'-P energy: -90.229
bonds (distance) P-C4' energy: -111.834
flat angles C4'-P-C4' energy: -113.288
flat angles P-C4'-P energy: -86.175
tors. eta vs tors. theta energy: -90.698
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: 7, replica: 10
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -1074.874234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.874234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.874234 (E_RNA)
where:
Base-Base interactions energy: -665.907
where: short stacking energy: -327.372
Base-Backbone interact. energy: -1.268
local terms energy: -407.699805
where:
bonds (distance) C4'-P energy: -93.378
bonds (distance) P-C4' energy: -95.253
flat angles C4'-P-C4' energy: -98.947
flat angles P-C4'-P energy: -56.894
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: 8, replica: 2
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -1129.140147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.140147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.140147 (E_RNA)
where:
Base-Base interactions energy: -706.241
where: short stacking energy: -305.300
Base-Backbone interact. energy: -0.250
local terms energy: -422.649614
where:
bonds (distance) C4'-P energy: -93.915
bonds (distance) P-C4' energy: -100.873
flat angles C4'-P-C4' energy: -109.669
flat angles P-C4'-P energy: -54.178
tors. eta vs tors. theta energy: -64.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -599.248259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.248259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.248259 (E_RNA)
where:
Base-Base interactions energy: -280.619
where: short stacking energy: -185.821
Base-Backbone interact. energy: -3.594
local terms energy: -315.035181
where:
bonds (distance) C4'-P energy: -83.911
bonds (distance) P-C4' energy: -107.343
flat angles C4'-P-C4' energy: -78.178
flat angles P-C4'-P energy: -47.876
tors. eta vs tors. theta energy: 2.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -573.542862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.542862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.542862 (E_RNA)
where:
Base-Base interactions energy: -239.605
where: short stacking energy: -164.552
Base-Backbone interact. energy: 0.704
local terms energy: -334.641923
where:
bonds (distance) C4'-P energy: -101.658
bonds (distance) P-C4' energy: -97.473
flat angles C4'-P-C4' energy: -86.553
flat angles P-C4'-P energy: -41.359
tors. eta vs tors. theta energy: -7.598
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: 7
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1931.630357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.630357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.630357 (E_RNA)
where:
Base-Base interactions energy: -1320.149
where: short stacking energy: -560.132
Base-Backbone interact. energy: -1.421
local terms energy: -610.060309
where:
bonds (distance) C4'-P energy: -115.396
bonds (distance) P-C4' energy: -120.016
flat angles C4'-P-C4' energy: -119.559
flat angles P-C4'-P energy: -90.857
tors. eta vs tors. theta energy: -164.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1836.109982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.109982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.109982 (E_RNA)
where:
Base-Base interactions energy: -1246.108
where: short stacking energy: -541.117
Base-Backbone interact. energy: -2.385
local terms energy: -587.616668
where:
bonds (distance) C4'-P energy: -102.841
bonds (distance) P-C4' energy: -110.405
flat angles C4'-P-C4' energy: -131.305
flat angles P-C4'-P energy: -92.357
tors. eta vs tors. theta energy: -150.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1816.498076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.498076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.498076 (E_RNA)
where:
Base-Base interactions energy: -1218.441
where: short stacking energy: -533.402
Base-Backbone interact. energy: -1.115
local terms energy: -596.941694
where:
bonds (distance) C4'-P energy: -109.329
bonds (distance) P-C4' energy: -127.145
flat angles C4'-P-C4' energy: -116.926
flat angles P-C4'-P energy: -91.463
tors. eta vs tors. theta energy: -152.078
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: 6
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1646.959025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.959025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.959025 (E_RNA)
where:
Base-Base interactions energy: -1082.651
where: short stacking energy: -485.747
Base-Backbone interact. energy: -0.594
local terms energy: -563.713251
where:
bonds (distance) C4'-P energy: -85.325
bonds (distance) P-C4' energy: -118.411
flat angles C4'-P-C4' energy: -132.599
flat angles P-C4'-P energy: -78.510
tors. eta vs tors. theta energy: -148.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1588.767193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.767193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.767193 (E_RNA)
where:
Base-Base interactions energy: -1058.569
where: short stacking energy: -472.280
Base-Backbone interact. energy: 3.166
local terms energy: -533.365022
where:
bonds (distance) C4'-P energy: -96.115
bonds (distance) P-C4' energy: -112.309
flat angles C4'-P-C4' energy: -115.178
flat angles P-C4'-P energy: -76.658
tors. eta vs tors. theta energy: -133.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1282.736101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.736101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.736101 (E_RNA)
where:
Base-Base interactions energy: -806.298
where: short stacking energy: -331.150
Base-Backbone interact. energy: 1.383
local terms energy: -477.821071
where:
bonds (distance) C4'-P energy: -107.791
bonds (distance) P-C4' energy: -102.065
flat angles C4'-P-C4' energy: -109.950
flat angles P-C4'-P energy: -65.064
tors. eta vs tors. theta energy: -92.952
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: 10
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1086.290093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.290093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.290093 (E_RNA)
where:
Base-Base interactions energy: -643.827
where: short stacking energy: -320.127
Base-Backbone interact. energy: 0.234
local terms energy: -442.696894
where:
bonds (distance) C4'-P energy: -98.551
bonds (distance) P-C4' energy: -117.513
flat angles C4'-P-C4' energy: -91.508
flat angles P-C4'-P energy: -65.732
tors. eta vs tors. theta energy: -69.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -1034.425649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.425649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.425649 (E_RNA)
where:
Base-Base interactions energy: -634.663
where: short stacking energy: -289.700
Base-Backbone interact. energy: -1.003
local terms energy: -398.759778
where:
bonds (distance) C4'-P energy: -103.979
bonds (distance) P-C4' energy: -104.023
flat angles C4'-P-C4' energy: -96.124
flat angles P-C4'-P energy: -58.009
tors. eta vs tors. theta energy: -36.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -576.769111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.769111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.769111 (E_RNA)
where:
Base-Base interactions energy: -248.603
where: short stacking energy: -161.481
Base-Backbone interact. energy: -2.743
local terms energy: -325.422757
where:
bonds (distance) C4'-P energy: -91.129
bonds (distance) P-C4' energy: -109.704
flat angles C4'-P-C4' energy: -86.807
flat angles P-C4'-P energy: -41.014
tors. eta vs tors. theta energy: 3.232
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: 5
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -595.744716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.744716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.744716 (E_RNA)
where:
Base-Base interactions energy: -275.007
where: short stacking energy: -148.544
Base-Backbone interact. energy: -4.115
local terms energy: -316.622760
where:
bonds (distance) C4'-P energy: -77.342
bonds (distance) P-C4' energy: -116.173
flat angles C4'-P-C4' energy: -79.574
flat angles P-C4'-P energy: -41.967
tors. eta vs tors. theta energy: -1.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1934.362185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.362185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.362185 (E_RNA)
where:
Base-Base interactions energy: -1320.572
where: short stacking energy: -551.631
Base-Backbone interact. energy: -0.246
local terms energy: -613.543591
where:
bonds (distance) C4'-P energy: -109.899
bonds (distance) P-C4' energy: -132.050
flat angles C4'-P-C4' energy: -123.988
flat angles P-C4'-P energy: -88.208
tors. eta vs tors. theta energy: -159.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1889.377634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.377634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.377634 (E_RNA)
where:
Base-Base interactions energy: -1274.592
where: short stacking energy: -549.328
Base-Backbone interact. energy: -2.249
local terms energy: -612.535779
where:
bonds (distance) C4'-P energy: -119.392
bonds (distance) P-C4' energy: -115.939
flat angles C4'-P-C4' energy: -139.141
flat angles P-C4'-P energy: -82.829
tors. eta vs tors. theta energy: -155.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1787.581994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.581994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.581994 (E_RNA)
where:
Base-Base interactions energy: -1191.115
where: short stacking energy: -539.719
Base-Backbone interact. energy: -2.268
local terms energy: -594.198866
where:
bonds (distance) C4'-P energy: -113.825
bonds (distance) P-C4' energy: -115.500
flat angles C4'-P-C4' energy: -123.089
flat angles P-C4'-P energy: -81.874
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: 4, replica: 6
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1675.338703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.338703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.338703 (E_RNA)
where:
Base-Base interactions energy: -1116.985
where: short stacking energy: -481.215
Base-Backbone interact. energy: -1.407
local terms energy: -556.947081
where:
bonds (distance) C4'-P energy: -97.166
bonds (distance) P-C4' energy: -116.272
flat angles C4'-P-C4' energy: -124.911
flat angles P-C4'-P energy: -87.057
tors. eta vs tors. theta energy: -131.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1611.490563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.490563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.490563 (E_RNA)
where:
Base-Base interactions energy: -1112.026
where: short stacking energy: -479.725
Base-Backbone interact. energy: -1.027
local terms energy: -498.437945
where:
bonds (distance) C4'-P energy: -98.895
bonds (distance) P-C4' energy: -90.561
flat angles C4'-P-C4' energy: -116.590
flat angles P-C4'-P energy: -67.550
tors. eta vs tors. theta energy: -124.843
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: 3
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1215.713503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.713503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.713503 (E_RNA)
where:
Base-Base interactions energy: -745.598
where: short stacking energy: -365.841
Base-Backbone interact. energy: -0.813
local terms energy: -469.302732
where:
bonds (distance) C4'-P energy: -90.201
bonds (distance) P-C4' energy: -97.914
flat angles C4'-P-C4' energy: -101.870
flat angles P-C4'-P energy: -69.844
tors. eta vs tors. theta energy: -109.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -1121.274986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.274986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.274986 (E_RNA)
where:
Base-Base interactions energy: -679.812
where: short stacking energy: -340.027
Base-Backbone interact. energy: 0.396
local terms energy: -441.859415
where:
bonds (distance) C4'-P energy: -88.908
bonds (distance) P-C4' energy: -106.668
flat angles C4'-P-C4' energy: -119.585
flat angles P-C4'-P energy: -66.290
tors. eta vs tors. theta energy: -60.409
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: 2
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -1067.337706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.337706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.337706 (E_RNA)
where:
Base-Base interactions energy: -658.683
where: short stacking energy: -304.027
Base-Backbone interact. energy: 0.256
local terms energy: -408.911039
where:
bonds (distance) C4'-P energy: -80.051
bonds (distance) P-C4' energy: -112.831
flat angles C4'-P-C4' energy: -100.129
flat angles P-C4'-P energy: -63.247
tors. eta vs tors. theta energy: -52.653
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: 88
Temperature: 1.300000
Total energy: -633.084936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.084936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.084936 (E_RNA)
where:
Base-Base interactions energy: -290.509
where: short stacking energy: -200.970
Base-Backbone interact. energy: -0.387
local terms energy: -342.188667
where:
bonds (distance) C4'-P energy: -80.663
bonds (distance) P-C4' energy: -99.887
flat angles C4'-P-C4' energy: -89.211
flat angles P-C4'-P energy: -49.534
tors. eta vs tors. theta energy: -22.893
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: 10, replica: 8
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -521.160785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.160785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.160785 (E_RNA)
where:
Base-Base interactions energy: -181.931
where: short stacking energy: -117.561
Base-Backbone interact. energy: -0.966
local terms energy: -338.263875
where:
bonds (distance) C4'-P energy: -109.481
bonds (distance) P-C4' energy: -115.043
flat angles C4'-P-C4' energy: -89.496
flat angles P-C4'-P energy: -46.132
tors. eta vs tors. theta energy: 21.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1922.382175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.382175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.382175 (E_RNA)
where:
Base-Base interactions energy: -1309.305
where: short stacking energy: -556.077
Base-Backbone interact. energy: -0.987
local terms energy: -612.089323
where:
bonds (distance) C4'-P energy: -112.175
bonds (distance) P-C4' energy: -123.658
flat angles C4'-P-C4' energy: -138.751
flat angles P-C4'-P energy: -90.857
tors. eta vs tors. theta energy: -146.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1878.348070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.348070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.348070 (E_RNA)
where:
Base-Base interactions energy: -1280.207
where: short stacking energy: -553.608
Base-Backbone interact. energy: -1.500
local terms energy: -596.640973
where:
bonds (distance) C4'-P energy: -118.594
bonds (distance) P-C4' energy: -114.979
flat angles C4'-P-C4' energy: -131.773
flat angles P-C4'-P energy: -71.141
tors. eta vs tors. theta energy: -160.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1784.594038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.594038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.594038 (E_RNA)
where:
Base-Base interactions energy: -1195.772
where: short stacking energy: -505.125
Base-Backbone interact. energy: -2.048
local terms energy: -586.774577
where:
bonds (distance) C4'-P energy: -116.416
bonds (distance) P-C4' energy: -114.791
flat angles C4'-P-C4' energy: -131.438
flat angles P-C4'-P energy: -73.388
tors. eta vs tors. theta energy: -150.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1686.166156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.166156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.166156 (E_RNA)
where:
Base-Base interactions energy: -1135.138
where: short stacking energy: -490.391
Base-Backbone interact. energy: -1.705
local terms energy: -549.322500
where:
bonds (distance) C4'-P energy: -109.821
bonds (distance) P-C4' energy: -113.208
flat angles C4'-P-C4' energy: -123.714
flat angles P-C4'-P energy: -63.758
tors. eta vs tors. theta energy: -138.821
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: 5, replica: 6
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1622.271858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.271858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.271858 (E_RNA)
where:
Base-Base interactions energy: -1087.523
where: short stacking energy: -471.389
Base-Backbone interact. energy: 0.141
local terms energy: -534.889789
where:
bonds (distance) C4'-P energy: -102.219
bonds (distance) P-C4' energy: -104.152
flat angles C4'-P-C4' energy: -108.308
flat angles P-C4'-P energy: -80.949
tors. eta vs tors. theta energy: -139.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1264.121152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.121152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.121152 (E_RNA)
where:
Base-Base interactions energy: -765.887
where: short stacking energy: -395.067
Base-Backbone interact. energy: -2.447
local terms energy: -495.786521
where:
bonds (distance) C4'-P energy: -95.406
bonds (distance) P-C4' energy: -114.692
flat angles C4'-P-C4' energy: -108.196
flat angles P-C4'-P energy: -74.223
tors. eta vs tors. theta energy: -103.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -1163.498210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.498210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.498210 (E_RNA)
where:
Base-Base interactions energy: -712.253
where: short stacking energy: -346.691
Base-Backbone interact. energy: -0.127
local terms energy: -451.117737
where:
bonds (distance) C4'-P energy: -92.860
bonds (distance) P-C4' energy: -115.001
flat angles C4'-P-C4' energy: -104.737
flat angles P-C4'-P energy: -57.687
tors. eta vs tors. theta energy: -80.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -1018.022283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.022283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.022283 (E_RNA)
where:
Base-Base interactions energy: -615.349
where: short stacking energy: -276.508
Base-Backbone interact. energy: -1.350
local terms energy: -401.323241
where:
bonds (distance) C4'-P energy: -101.536
bonds (distance) P-C4' energy: -92.756
flat angles C4'-P-C4' energy: -99.304
flat angles P-C4'-P energy: -51.030
tors. eta vs tors. theta energy: -56.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -657.737284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.737284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.737284 (E_RNA)
where:
Base-Base interactions energy: -308.032
where: short stacking energy: -178.429
Base-Backbone interact. energy: 3.457
local terms energy: -353.162765
where:
bonds (distance) C4'-P energy: -109.748
bonds (distance) P-C4' energy: -96.469
flat angles C4'-P-C4' energy: -98.298
flat angles P-C4'-P energy: -54.515
tors. eta vs tors. theta energy: 5.867
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: 10, replica: 8
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -566.683863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.683863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.683863 (E_RNA)
where:
Base-Base interactions energy: -259.272
where: short stacking energy: -168.702
Base-Backbone interact. energy: 4.507
local terms energy: -311.918681
where:
bonds (distance) C4'-P energy: -83.484
bonds (distance) P-C4' energy: -106.184
flat angles C4'-P-C4' energy: -80.820
flat angles P-C4'-P energy: -42.029
tors. eta vs tors. theta energy: 0.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1929.866771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.866771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.866771 (E_RNA)
where:
Base-Base interactions energy: -1296.117
where: short stacking energy: -550.854
Base-Backbone interact. energy: -3.785
local terms energy: -629.964549
where:
bonds (distance) C4'-P energy: -111.147
bonds (distance) P-C4' energy: -126.395
flat angles C4'-P-C4' energy: -129.686
flat angles P-C4'-P energy: -92.156
tors. eta vs tors. theta energy: -170.580
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: 2, replica: 7
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1919.346078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.346078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.346078 (E_RNA)
where:
Base-Base interactions energy: -1314.515
where: short stacking energy: -555.130
Base-Backbone interact. energy: -0.016
local terms energy: -604.815150
where:
bonds (distance) C4'-P energy: -122.993
bonds (distance) P-C4' energy: -111.945
flat angles C4'-P-C4' energy: -118.613
flat angles P-C4'-P energy: -93.152
tors. eta vs tors. theta energy: -158.113
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: 4
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1814.163787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.163787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.163787 (E_RNA)
where:
Base-Base interactions energy: -1244.968
where: short stacking energy: -525.463
Base-Backbone interact. energy: -1.860
local terms energy: -567.336460
where:
bonds (distance) C4'-P energy: -101.440
bonds (distance) P-C4' energy: -119.141
flat angles C4'-P-C4' energy: -119.228
flat angles P-C4'-P energy: -64.709
tors. eta vs tors. theta energy: -162.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -1649.377136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.377136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.377136 (E_RNA)
where:
Base-Base interactions energy: -1105.201
where: short stacking energy: -454.456
Base-Backbone interact. energy: -2.544
local terms energy: -541.631366
where:
bonds (distance) C4'-P energy: -113.269
bonds (distance) P-C4' energy: -112.498
flat angles C4'-P-C4' energy: -110.993
flat angles P-C4'-P energy: -78.174
tors. eta vs tors. theta energy: -126.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1642.498867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.498867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.498867 (E_RNA)
where:
Base-Base interactions energy: -1100.401
where: short stacking energy: -484.288
Base-Backbone interact. energy: 0.703
local terms energy: -542.801163
where:
bonds (distance) C4'-P energy: -91.078
bonds (distance) P-C4' energy: -111.641
flat angles C4'-P-C4' energy: -122.862
flat angles P-C4'-P energy: -68.920
tors. eta vs tors. theta energy: -148.300
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: 6, replica: 3
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1206.462812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.462812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.462812 (E_RNA)
where:
Base-Base interactions energy: -770.158
where: short stacking energy: -393.401
Base-Backbone interact. energy: 3.698
local terms energy: -440.002381
where:
bonds (distance) C4'-P energy: -85.464
bonds (distance) P-C4' energy: -106.294
flat angles C4'-P-C4' energy: -98.038
flat angles P-C4'-P energy: -58.140
tors. eta vs tors. theta energy: -92.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -1128.954453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.954453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.954453 (E_RNA)
where:
Base-Base interactions energy: -693.957
where: short stacking energy: -336.689
Base-Backbone interact. energy: -0.913
local terms energy: -434.084984
where:
bonds (distance) C4'-P energy: -97.505
bonds (distance) P-C4' energy: -108.753
flat angles C4'-P-C4' energy: -96.565
flat angles P-C4'-P energy: -49.750
tors. eta vs tors. theta energy: -81.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -1022.023946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.023946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.023946 (E_RNA)
where:
Base-Base interactions energy: -595.416
where: short stacking energy: -290.499
Base-Backbone interact. energy: -0.977
local terms energy: -425.630914
where:
bonds (distance) C4'-P energy: -98.277
bonds (distance) P-C4' energy: -94.526
flat angles C4'-P-C4' energy: -99.704
flat angles P-C4'-P energy: -64.833
tors. eta vs tors. theta energy: -68.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -650.075783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.075783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.075783 (E_RNA)
where:
Base-Base interactions energy: -297.248
where: short stacking energy: -179.446
Base-Backbone interact. energy: -2.257
local terms energy: -350.570209
where:
bonds (distance) C4'-P energy: -94.094
bonds (distance) P-C4' energy: -108.395
flat angles C4'-P-C4' energy: -89.129
flat angles P-C4'-P energy: -51.292
tors. eta vs tors. theta energy: -7.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -561.284565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.284565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.284565 (E_RNA)
where:
Base-Base interactions energy: -253.906
where: short stacking energy: -144.029
Base-Backbone interact. energy: -3.533
local terms energy: -303.845892
where:
bonds (distance) C4'-P energy: -90.275
bonds (distance) P-C4' energy: -108.145
flat angles C4'-P-C4' energy: -66.692
flat angles P-C4'-P energy: -50.235
tors. eta vs tors. theta energy: 11.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1913.735730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.735730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.735730 (E_RNA)
where:
Base-Base interactions energy: -1310.161
where: short stacking energy: -546.117
Base-Backbone interact. energy: 0.976
local terms energy: -604.550520
where:
bonds (distance) C4'-P energy: -124.891
bonds (distance) P-C4' energy: -112.925
flat angles C4'-P-C4' energy: -128.812
flat angles P-C4'-P energy: -73.491
tors. eta vs tors. theta energy: -164.432
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: 2, replica: 7
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1862.276660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.276660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.276660 (E_RNA)
where:
Base-Base interactions energy: -1275.574
where: short stacking energy: -568.320
Base-Backbone interact. energy: -3.863
local terms energy: -582.838980
where:
bonds (distance) C4'-P energy: -95.403
bonds (distance) P-C4' energy: -110.187
flat angles C4'-P-C4' energy: -125.335
flat angles P-C4'-P energy: -93.098
tors. eta vs tors. theta energy: -158.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1786.799450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.799450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.799450 (E_RNA)
where:
Base-Base interactions energy: -1196.088
where: short stacking energy: -524.163
Base-Backbone interact. energy: -3.430
local terms energy: -587.281327
where:
bonds (distance) C4'-P energy: -108.916
bonds (distance) P-C4' energy: -108.406
flat angles C4'-P-C4' energy: -131.675
flat angles P-C4'-P energy: -78.394
tors. eta vs tors. theta energy: -159.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -1683.601121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.601121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.601121 (E_RNA)
where:
Base-Base interactions energy: -1131.597
where: short stacking energy: -508.974
Base-Backbone interact. energy: -2.238
local terms energy: -549.765513
where:
bonds (distance) C4'-P energy: -103.575
bonds (distance) P-C4' energy: -115.165
flat angles C4'-P-C4' energy: -121.569
flat angles P-C4'-P energy: -74.753
tors. eta vs tors. theta energy: -134.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1642.695971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.695971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.695971 (E_RNA)
where:
Base-Base interactions energy: -1125.573
where: short stacking energy: -480.921
Base-Backbone interact. energy: -0.766
local terms energy: -516.357544
where:
bonds (distance) C4'-P energy: -104.331
bonds (distance) P-C4' energy: -98.006
flat angles C4'-P-C4' energy: -104.809
flat angles P-C4'-P energy: -68.437
tors. eta vs tors. theta energy: -140.775
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: 3
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1256.938118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.938118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.938118 (E_RNA)
where:
Base-Base interactions energy: -783.510
where: short stacking energy: -374.912
Base-Backbone interact. energy: -1.463
local terms energy: -471.965077
where:
bonds (distance) C4'-P energy: -100.640
bonds (distance) P-C4' energy: -106.734
flat angles C4'-P-C4' energy: -114.305
flat angles P-C4'-P energy: -60.592
tors. eta vs tors. theta energy: -89.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -1185.478858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.478858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.478858 (E_RNA)
where:
Base-Base interactions energy: -737.033
where: short stacking energy: -339.114
Base-Backbone interact. energy: -0.701
local terms energy: -447.745496
where:
bonds (distance) C4'-P energy: -95.545
bonds (distance) P-C4' energy: -105.341
flat angles C4'-P-C4' energy: -103.203
flat angles P-C4'-P energy: -52.105
tors. eta vs tors. theta energy: -91.551
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: 8, replica: 2
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -1027.942116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.942116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.942116 (E_RNA)
where:
Base-Base interactions energy: -638.848
where: short stacking energy: -317.509
Base-Backbone interact. energy: -0.811
local terms energy: -388.282990
where:
bonds (distance) C4'-P energy: -92.672
bonds (distance) P-C4' energy: -77.461
flat angles C4'-P-C4' energy: -92.231
flat angles P-C4'-P energy: -70.977
tors. eta vs tors. theta energy: -54.941
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: 5
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -653.633350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.633350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.633350 (E_RNA)
where:
Base-Base interactions energy: -315.568
where: short stacking energy: -176.156
Base-Backbone interact. energy: 0.311
local terms energy: -338.375697
where:
bonds (distance) C4'-P energy: -79.783
bonds (distance) P-C4' energy: -113.234
flat angles C4'-P-C4' energy: -82.549
flat angles P-C4'-P energy: -62.297
tors. eta vs tors. theta energy: -0.513
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: 10, replica: 8
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -601.038379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.038379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.038379 (E_RNA)
where:
Base-Base interactions energy: -278.068
where: short stacking energy: -168.185
Base-Backbone interact. energy: -1.185
local terms energy: -321.785487
where:
bonds (distance) C4'-P energy: -94.225
bonds (distance) P-C4' energy: -88.686
flat angles C4'-P-C4' energy: -83.543
flat angles P-C4'-P energy: -55.751
tors. eta vs tors. theta energy: 0.419
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: 9
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1907.859010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.859010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.859010 (E_RNA)
where:
Base-Base interactions energy: -1294.664
where: short stacking energy: -526.288
Base-Backbone interact. energy: -0.299
local terms energy: -612.895821
where:
bonds (distance) C4'-P energy: -122.894
bonds (distance) P-C4' energy: -109.460
flat angles C4'-P-C4' energy: -126.906
flat angles P-C4'-P energy: -91.776
tors. eta vs tors. theta energy: -161.860
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: 2, replica: 7
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1886.434145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.434145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.434145 (E_RNA)
where:
Base-Base interactions energy: -1305.263
where: short stacking energy: -555.850
Base-Backbone interact. energy: 4.439
local terms energy: -585.609708
where:
bonds (distance) C4'-P energy: -99.684
bonds (distance) P-C4' energy: -128.464
flat angles C4'-P-C4' energy: -128.928
flat angles P-C4'-P energy: -69.376
tors. eta vs tors. theta energy: -159.158
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: 4
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1784.680768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.680768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.680768 (E_RNA)
where:
Base-Base interactions energy: -1201.453
where: short stacking energy: -524.853
Base-Backbone interact. energy: 3.378
local terms energy: -586.606536
where:
bonds (distance) C4'-P energy: -105.632
bonds (distance) P-C4' energy: -113.657
flat angles C4'-P-C4' energy: -136.165
flat angles P-C4'-P energy: -81.138
tors. eta vs tors. theta energy: -150.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -1660.791613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.791613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.791613 (E_RNA)
where:
Base-Base interactions energy: -1138.231
where: short stacking energy: -463.558
Base-Backbone interact. energy: 1.382
local terms energy: -523.943378
where:
bonds (distance) C4'-P energy: -105.802
bonds (distance) P-C4' energy: -105.242
flat angles C4'-P-C4' energy: -124.459
flat angles P-C4'-P energy: -60.298
tors. eta vs tors. theta energy: -128.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1609.331581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.331581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.331581 (E_RNA)
where:
Base-Base interactions energy: -1097.432
where: short stacking energy: -437.664
Base-Backbone interact. energy: -0.469
local terms energy: -511.430851
where:
bonds (distance) C4'-P energy: -100.090
bonds (distance) P-C4' energy: -107.098
flat angles C4'-P-C4' energy: -122.270
flat angles P-C4'-P energy: -72.153
tors. eta vs tors. theta energy: -109.820
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: 3
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1244.915046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.915046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.915046 (E_RNA)
where:
Base-Base interactions energy: -789.244
where: short stacking energy: -351.299
Base-Backbone interact. energy: -0.127
local terms energy: -455.543905
where:
bonds (distance) C4'-P energy: -98.835
bonds (distance) P-C4' energy: -108.574
flat angles C4'-P-C4' energy: -99.590
flat angles P-C4'-P energy: -75.004
tors. eta vs tors. theta energy: -73.541
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: 7, replica: 10
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1159.930672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.930672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.930672 (E_RNA)
where:
Base-Base interactions energy: -707.462
where: short stacking energy: -376.972
Base-Backbone interact. energy: -1.316
local terms energy: -451.152873
where:
bonds (distance) C4'-P energy: -100.711
bonds (distance) P-C4' energy: -96.527
flat angles C4'-P-C4' energy: -107.932
flat angles P-C4'-P energy: -69.335
tors. eta vs tors. theta energy: -76.648
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: 2
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -1062.084719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.084719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.084719 (E_RNA)
where:
Base-Base interactions energy: -623.712
where: short stacking energy: -301.124
Base-Backbone interact. energy: 0.232
local terms energy: -438.604727
where:
bonds (distance) C4'-P energy: -87.087
bonds (distance) P-C4' energy: -110.073
flat angles C4'-P-C4' energy: -116.800
flat angles P-C4'-P energy: -70.929
tors. eta vs tors. theta energy: -53.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -682.047877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.047877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.047877 (E_RNA)
where:
Base-Base interactions energy: -339.510
where: short stacking energy: -196.224
Base-Backbone interact. energy: 2.356
local terms energy: -344.894020
where:
bonds (distance) C4'-P energy: -87.274
bonds (distance) P-C4' energy: -114.612
flat angles C4'-P-C4' energy: -78.857
flat angles P-C4'-P energy: -45.837
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: 10, replica: 8
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -615.908111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.908111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.908111 (E_RNA)
where:
Base-Base interactions energy: -287.312
where: short stacking energy: -172.642
Base-Backbone interact. energy: 0.973
local terms energy: -329.568878
where:
bonds (distance) C4'-P energy: -84.594
bonds (distance) P-C4' energy: -108.210
flat angles C4'-P-C4' energy: -81.814
flat angles P-C4'-P energy: -50.829
tors. eta vs tors. theta energy: -4.121
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: 1, replica: 9
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1932.035758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.035758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.035758 (E_RNA)
where:
Base-Base interactions energy: -1311.981
where: short stacking energy: -530.026
Base-Backbone interact. energy: -0.861
local terms energy: -619.193704
where:
bonds (distance) C4'-P energy: -116.888
bonds (distance) P-C4' energy: -108.645
flat angles C4'-P-C4' energy: -131.284
flat angles P-C4'-P energy: -94.911
tors. eta vs tors. theta energy: -167.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1910.022631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.022631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.022631 (E_RNA)
where:
Base-Base interactions energy: -1311.199
where: short stacking energy: -543.657
Base-Backbone interact. energy: -0.105
local terms energy: -598.718068
where:
bonds (distance) C4'-P energy: -104.355
bonds (distance) P-C4' energy: -121.737
flat angles C4'-P-C4' energy: -126.766
flat angles P-C4'-P energy: -89.152
tors. eta vs tors. theta energy: -156.709
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: 93
Temperature: 1.000000
Total energy: -1815.608246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.608246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.608246 (E_RNA)
where:
Base-Base interactions energy: -1224.567
where: short stacking energy: -520.889
Base-Backbone interact. energy: -0.776
local terms energy: -590.265235
where:
bonds (distance) C4'-P energy: -120.273
bonds (distance) P-C4' energy: -108.957
flat angles C4'-P-C4' energy: -135.184
flat angles P-C4'-P energy: -79.426
tors. eta vs tors. theta energy: -146.425
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: 4, replica: 6
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -1670.615040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.615040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.615040 (E_RNA)
where:
Base-Base interactions energy: -1121.335
where: short stacking energy: -497.787
Base-Backbone interact. energy: 4.734
local terms energy: -554.014137
where:
bonds (distance) C4'-P energy: -106.061
bonds (distance) P-C4' energy: -113.480
flat angles C4'-P-C4' energy: -125.652
flat angles P-C4'-P energy: -69.888
tors. eta vs tors. theta energy: -138.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1660.805485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.805485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.805485 (E_RNA)
where:
Base-Base interactions energy: -1123.225
where: short stacking energy: -487.496
Base-Backbone interact. energy: -1.564
local terms energy: -536.016174
where:
bonds (distance) C4'-P energy: -93.540
bonds (distance) P-C4' energy: -111.853
flat angles C4'-P-C4' energy: -114.203
flat angles P-C4'-P energy: -78.867
tors. eta vs tors. theta energy: -137.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1314.384488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.384488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.384488 (E_RNA)
where:
Base-Base interactions energy: -870.346
where: short stacking energy: -405.099
Base-Backbone interact. energy: -0.888
local terms energy: -443.150910
where:
bonds (distance) C4'-P energy: -101.058
bonds (distance) P-C4' energy: -95.346
flat angles C4'-P-C4' energy: -95.797
flat angles P-C4'-P energy: -56.519
tors. eta vs tors. theta energy: -94.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -1133.850868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.850868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.850868 (E_RNA)
where:
Base-Base interactions energy: -684.460
where: short stacking energy: -371.190
Base-Backbone interact. energy: 0.261
local terms energy: -449.651399
where:
bonds (distance) C4'-P energy: -116.082
bonds (distance) P-C4' energy: -86.866
flat angles C4'-P-C4' energy: -94.682
flat angles P-C4'-P energy: -75.944
tors. eta vs tors. theta energy: -76.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -1086.350566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.350566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.350566 (E_RNA)
where:
Base-Base interactions energy: -655.726
where: short stacking energy: -310.960
Base-Backbone interact. energy: -1.500
local terms energy: -429.124954
where:
bonds (distance) C4'-P energy: -95.426
bonds (distance) P-C4' energy: -110.884
flat angles C4'-P-C4' energy: -103.869
flat angles P-C4'-P energy: -59.358
tors. eta vs tors. theta energy: -59.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -649.691542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.691542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.691542 (E_RNA)
where:
Base-Base interactions energy: -318.409
where: short stacking energy: -189.301
Base-Backbone interact. energy: -0.034
local terms energy: -331.248983
where:
bonds (distance) C4'-P energy: -101.794
bonds (distance) P-C4' energy: -102.940
flat angles C4'-P-C4' energy: -65.906
flat angles P-C4'-P energy: -50.181
tors. eta vs tors. theta energy: -10.429
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: 10, replica: 8
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -659.787220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.787220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.787220 (E_RNA)
where:
Base-Base interactions energy: -329.856
where: short stacking energy: -197.693
Base-Backbone interact. energy: -0.573
local terms energy: -329.358287
where:
bonds (distance) C4'-P energy: -91.161
bonds (distance) P-C4' energy: -97.885
flat angles C4'-P-C4' energy: -88.574
flat angles P-C4'-P energy: -54.732
tors. eta vs tors. theta energy: 2.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1926.523217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.523217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.523217 (E_RNA)
where:
Base-Base interactions energy: -1324.109
where: short stacking energy: -515.550
Base-Backbone interact. energy: -3.722
local terms energy: -598.692663
where:
bonds (distance) C4'-P energy: -113.871
bonds (distance) P-C4' energy: -113.049
flat angles C4'-P-C4' energy: -133.000
flat angles P-C4'-P energy: -93.565
tors. eta vs tors. theta energy: -145.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1923.490866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.490866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.490866 (E_RNA)
where:
Base-Base interactions energy: -1331.526
where: short stacking energy: -564.664
Base-Backbone interact. energy: -1.285
local terms energy: -590.679078
where:
bonds (distance) C4'-P energy: -120.824
bonds (distance) P-C4' energy: -104.646
flat angles C4'-P-C4' energy: -135.990
flat angles P-C4'-P energy: -77.999
tors. eta vs tors. theta energy: -151.219
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: 4
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1786.008024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.008024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.008024 (E_RNA)
where:
Base-Base interactions energy: -1183.954
where: short stacking energy: -499.788
Base-Backbone interact. energy: -3.904
local terms energy: -598.149715
where:
bonds (distance) C4'-P energy: -110.776
bonds (distance) P-C4' energy: -118.562
flat angles C4'-P-C4' energy: -121.229
flat angles P-C4'-P energy: -86.144
tors. eta vs tors. theta energy: -161.438
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: 94
Temperature: 1.050000
Total energy: -1660.811127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.811127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.811127 (E_RNA)
where:
Base-Base interactions energy: -1128.276
where: short stacking energy: -489.634
Base-Backbone interact. energy: 10.871
local terms energy: -543.405385
where:
bonds (distance) C4'-P energy: -115.639
bonds (distance) P-C4' energy: -106.874
flat angles C4'-P-C4' energy: -122.754
flat angles P-C4'-P energy: -66.830
tors. eta vs tors. theta energy: -131.308
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: 5, replica: 1
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1616.957249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.957249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.957249 (E_RNA)
where:
Base-Base interactions energy: -1065.794
where: short stacking energy: -453.785
Base-Backbone interact. energy: -1.851
local terms energy: -549.311864
where:
bonds (distance) C4'-P energy: -119.440
bonds (distance) P-C4' energy: -88.830
flat angles C4'-P-C4' energy: -120.723
flat angles P-C4'-P energy: -96.542
tors. eta vs tors. theta energy: -123.777
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: 3
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1300.190927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.190927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.190927 (E_RNA)
where:
Base-Base interactions energy: -831.734
where: short stacking energy: -371.988
Base-Backbone interact. energy: -1.015
local terms energy: -467.442327
where:
bonds (distance) C4'-P energy: -96.787
bonds (distance) P-C4' energy: -117.980
flat angles C4'-P-C4' energy: -97.783
flat angles P-C4'-P energy: -75.762
tors. eta vs tors. theta energy: -79.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -1136.045737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.045737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.045737 (E_RNA)
where:
Base-Base interactions energy: -689.333
where: short stacking energy: -321.420
Base-Backbone interact. energy: -1.359
local terms energy: -445.353722
where:
bonds (distance) C4'-P energy: -93.516
bonds (distance) P-C4' energy: -106.447
flat angles C4'-P-C4' energy: -100.822
flat angles P-C4'-P energy: -72.455
tors. eta vs tors. theta energy: -72.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -1061.646211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.646211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.646211 (E_RNA)
where:
Base-Base interactions energy: -659.101
where: short stacking energy: -316.866
Base-Backbone interact. energy: -0.010
local terms energy: -402.534763
where:
bonds (distance) C4'-P energy: -99.989
bonds (distance) P-C4' energy: -94.712
flat angles C4'-P-C4' energy: -108.376
flat angles P-C4'-P energy: -46.261
tors. eta vs tors. theta energy: -53.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -713.536461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.536461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.536461 (E_RNA)
where:
Base-Base interactions energy: -420.009
where: short stacking energy: -203.718
Base-Backbone interact. energy: 1.778
local terms energy: -295.305854
where:
bonds (distance) C4'-P energy: -88.158
bonds (distance) P-C4' energy: -82.374
flat angles C4'-P-C4' energy: -85.630
flat angles P-C4'-P energy: -49.097
tors. eta vs tors. theta energy: 9.953
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: 5
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -566.724859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.724859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.724859 (E_RNA)
where:
Base-Base interactions energy: -231.963
where: short stacking energy: -141.431
Base-Backbone interact. energy: -0.439
local terms energy: -334.322913
where:
bonds (distance) C4'-P energy: -104.833
bonds (distance) P-C4' energy: -101.640
flat angles C4'-P-C4' energy: -80.549
flat angles P-C4'-P energy: -50.992
tors. eta vs tors. theta energy: 3.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1916.053572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.053572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.053572 (E_RNA)
where:
Base-Base interactions energy: -1313.970
where: short stacking energy: -535.628
Base-Backbone interact. energy: -3.180
local terms energy: -598.903600
where:
bonds (distance) C4'-P energy: -107.844
bonds (distance) P-C4' energy: -117.680
flat angles C4'-P-C4' energy: -125.422
flat angles P-C4'-P energy: -91.789
tors. eta vs tors. theta energy: -156.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1900.777731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.777731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.777731 (E_RNA)
where:
Base-Base interactions energy: -1307.152
where: short stacking energy: -539.164
Base-Backbone interact. energy: -0.772
local terms energy: -592.853411
where:
bonds (distance) C4'-P energy: -115.864
bonds (distance) P-C4' energy: -120.204
flat angles C4'-P-C4' energy: -132.263
flat angles P-C4'-P energy: -81.520
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: 3, replica: 4
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1790.785838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.785838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.785838 (E_RNA)
where:
Base-Base interactions energy: -1215.118
where: short stacking energy: -517.749
Base-Backbone interact. energy: -3.339
local terms energy: -572.328943
where:
bonds (distance) C4'-P energy: -101.060
bonds (distance) P-C4' energy: -116.606
flat angles C4'-P-C4' energy: -137.137
flat angles P-C4'-P energy: -79.827
tors. eta vs tors. theta energy: -137.700
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: 1
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1671.118647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.118647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.118647 (E_RNA)
where:
Base-Base interactions energy: -1115.153
where: short stacking energy: -478.368
Base-Backbone interact. energy: 3.122
local terms energy: -559.087689
where:
bonds (distance) C4'-P energy: -98.717
bonds (distance) P-C4' energy: -123.473
flat angles C4'-P-C4' energy: -127.110
flat angles P-C4'-P energy: -79.482
tors. eta vs tors. theta energy: -130.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1576.547195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.547195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.547195 (E_RNA)
where:
Base-Base interactions energy: -1058.260
where: short stacking energy: -465.689
Base-Backbone interact. energy: -2.100
local terms energy: -516.186811
where:
bonds (distance) C4'-P energy: -103.988
bonds (distance) P-C4' energy: -108.623
flat angles C4'-P-C4' energy: -113.766
flat angles P-C4'-P energy: -69.939
tors. eta vs tors. theta energy: -119.871
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: 6, replica: 3
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1310.314686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.314686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.314686 (E_RNA)
where:
Base-Base interactions energy: -847.346
where: short stacking energy: -378.402
Base-Backbone interact. energy: -1.754
local terms energy: -461.214852
where:
bonds (distance) C4'-P energy: -104.921
bonds (distance) P-C4' energy: -98.387
flat angles C4'-P-C4' energy: -105.592
flat angles P-C4'-P energy: -66.577
tors. eta vs tors. theta energy: -85.737
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: 7, replica: 10
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -1126.686603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.686603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.686603 (E_RNA)
where:
Base-Base interactions energy: -682.303
where: short stacking energy: -301.619
Base-Backbone interact. energy: -3.746
local terms energy: -440.637497
where:
bonds (distance) C4'-P energy: -101.516
bonds (distance) P-C4' energy: -112.684
flat angles C4'-P-C4' energy: -95.921
flat angles P-C4'-P energy: -76.963
tors. eta vs tors. theta energy: -53.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -1120.573023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.573023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.573023 (E_RNA)
where:
Base-Base interactions energy: -691.872
where: short stacking energy: -314.888
Base-Backbone interact. energy: -3.685
local terms energy: -425.016264
where:
bonds (distance) C4'-P energy: -94.093
bonds (distance) P-C4' energy: -103.477
flat angles C4'-P-C4' energy: -101.222
flat angles P-C4'-P energy: -67.658
tors. eta vs tors. theta energy: -58.567
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: 9, replica: 8
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -662.494420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.494420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.494420 (E_RNA)
where:
Base-Base interactions energy: -334.917
where: short stacking energy: -193.605
Base-Backbone interact. energy: 4.502
local terms energy: -332.079554
where:
bonds (distance) C4'-P energy: -111.400
bonds (distance) P-C4' energy: -98.998
flat angles C4'-P-C4' energy: -81.671
flat angles P-C4'-P energy: -42.767
tors. eta vs tors. theta energy: 2.756
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: 5
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -560.993862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.993862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.993862 (E_RNA)
where:
Base-Base interactions energy: -259.917
where: short stacking energy: -151.996
Base-Backbone interact. energy: -2.473
local terms energy: -298.602991
where:
bonds (distance) C4'-P energy: -96.658
bonds (distance) P-C4' energy: -78.226
flat angles C4'-P-C4' energy: -88.351
flat angles P-C4'-P energy: -49.054
tors. eta vs tors. theta energy: 13.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1941.887313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.887313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.887313 (E_RNA)
where:
Base-Base interactions energy: -1338.762
where: short stacking energy: -557.477
Base-Backbone interact. energy: 0.069
local terms energy: -603.194374
where:
bonds (distance) C4'-P energy: -106.466
bonds (distance) P-C4' energy: -127.995
flat angles C4'-P-C4' energy: -128.795
flat angles P-C4'-P energy: -89.977
tors. eta vs tors. theta energy: -149.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1886.385071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.385071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.385071 (E_RNA)
where:
Base-Base interactions energy: -1282.638
where: short stacking energy: -564.516
Base-Backbone interact. energy: -2.479
local terms energy: -601.267753
where:
bonds (distance) C4'-P energy: -111.159
bonds (distance) P-C4' energy: -118.108
flat angles C4'-P-C4' energy: -125.872
flat angles P-C4'-P energy: -87.571
tors. eta vs tors. theta energy: -158.558
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: 4
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1835.314575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.314575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.314575 (E_RNA)
where:
Base-Base interactions energy: -1246.453
where: short stacking energy: -533.303
Base-Backbone interact. energy: -2.524
local terms energy: -586.337687
where:
bonds (distance) C4'-P energy: -106.984
bonds (distance) P-C4' energy: -110.542
flat angles C4'-P-C4' energy: -133.172
flat angles P-C4'-P energy: -80.992
tors. eta vs tors. theta energy: -154.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1695.198044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.198044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.198044 (E_RNA)
where:
Base-Base interactions energy: -1126.028
where: short stacking energy: -486.993
Base-Backbone interact. energy: -1.398
local terms energy: -567.772650
where:
bonds (distance) C4'-P energy: -108.395
bonds (distance) P-C4' energy: -108.935
flat angles C4'-P-C4' energy: -122.845
flat angles P-C4'-P energy: -83.206
tors. eta vs tors. theta energy: -144.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1559.519122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.519122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.519122 (E_RNA)
where:
Base-Base interactions energy: -1082.209
where: short stacking energy: -447.743
Base-Backbone interact. energy: 0.862
local terms energy: -478.172042
where:
bonds (distance) C4'-P energy: -79.499
bonds (distance) P-C4' energy: -97.198
flat angles C4'-P-C4' energy: -108.363
flat angles P-C4'-P energy: -72.114
tors. eta vs tors. theta energy: -120.998
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: 6, replica: 3
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1323.857832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.857832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.857832 (E_RNA)
where:
Base-Base interactions energy: -865.232
where: short stacking energy: -420.421
Base-Backbone interact. energy: -1.168
local terms energy: -457.457502
where:
bonds (distance) C4'-P energy: -94.570
bonds (distance) P-C4' energy: -101.420
flat angles C4'-P-C4' energy: -94.695
flat angles P-C4'-P energy: -61.920
tors. eta vs tors. theta energy: -104.852
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: 7, replica: 2
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -1177.016067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.016067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.016067 (E_RNA)
where:
Base-Base interactions energy: -739.538
where: short stacking energy: -340.317
Base-Backbone interact. energy: -2.204
local terms energy: -435.273878
where:
bonds (distance) C4'-P energy: -98.610
bonds (distance) P-C4' energy: -104.770
flat angles C4'-P-C4' energy: -98.376
flat angles P-C4'-P energy: -68.639
tors. eta vs tors. theta energy: -64.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -1164.971218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.971218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.971218 (E_RNA)
where:
Base-Base interactions energy: -728.221
where: short stacking energy: -333.567
Base-Backbone interact. energy: -1.005
local terms energy: -435.745778
where:
bonds (distance) C4'-P energy: -99.776
bonds (distance) P-C4' energy: -106.106
flat angles C4'-P-C4' energy: -97.978
flat angles P-C4'-P energy: -63.984
tors. eta vs tors. theta energy: -67.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -664.262126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.262126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.262126 (E_RNA)
where:
Base-Base interactions energy: -345.628
where: short stacking energy: -176.852
Base-Backbone interact. energy: -1.656
local terms energy: -316.978640
where:
bonds (distance) C4'-P energy: -77.864
bonds (distance) P-C4' energy: -80.453
flat angles C4'-P-C4' energy: -90.378
flat angles P-C4'-P energy: -59.610
tors. eta vs tors. theta energy: -8.673
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: 5
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -588.231760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.231760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.231760 (E_RNA)
where:
Base-Base interactions energy: -270.541
where: short stacking energy: -153.085
Base-Backbone interact. energy: 0.689
local terms energy: -318.379635
where:
bonds (distance) C4'-P energy: -103.267
bonds (distance) P-C4' energy: -107.273
flat angles C4'-P-C4' energy: -67.740
flat angles P-C4'-P energy: -49.626
tors. eta vs tors. theta energy: 9.526
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: 1, replica: 7
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1964.691218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.691218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.691218 (E_RNA)
where:
Base-Base interactions energy: -1343.202
where: short stacking energy: -558.853
Base-Backbone interact. energy: -1.435
local terms energy: -620.053746
where:
bonds (distance) C4'-P energy: -115.710
bonds (distance) P-C4' energy: -128.002
flat angles C4'-P-C4' energy: -126.626
flat angles P-C4'-P energy: -86.382
tors. eta vs tors. theta energy: -163.334
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: 2, replica: 9
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1871.395263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.395263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.395263 (E_RNA)
where:
Base-Base interactions energy: -1256.221
where: short stacking energy: -505.191
Base-Backbone interact. energy: 0.370
local terms energy: -615.543813
where:
bonds (distance) C4'-P energy: -128.243
bonds (distance) P-C4' energy: -117.775
flat angles C4'-P-C4' energy: -132.700
flat angles P-C4'-P energy: -83.052
tors. eta vs tors. theta energy: -153.774
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: 4
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1814.862312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.862312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.862312 (E_RNA)
where:
Base-Base interactions energy: -1238.814
where: short stacking energy: -529.258
Base-Backbone interact. energy: 5.130
local terms energy: -581.178122
where:
bonds (distance) C4'-P energy: -117.963
bonds (distance) P-C4' energy: -111.148
flat angles C4'-P-C4' energy: -117.278
flat angles P-C4'-P energy: -82.555
tors. eta vs tors. theta energy: -152.234
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: 1
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1680.327838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.327838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.327838 (E_RNA)
where:
Base-Base interactions energy: -1161.859
where: short stacking energy: -491.410
Base-Backbone interact. energy: 0.637
local terms energy: -519.105956
where:
bonds (distance) C4'-P energy: -88.694
bonds (distance) P-C4' energy: -109.540
flat angles C4'-P-C4' energy: -120.712
flat angles P-C4'-P energy: -69.542
tors. eta vs tors. theta energy: -130.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1571.305842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.305842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.305842 (E_RNA)
where:
Base-Base interactions energy: -1052.747
where: short stacking energy: -444.390
Base-Backbone interact. energy: 8.090
local terms energy: -526.648515
where:
bonds (distance) C4'-P energy: -96.848
bonds (distance) P-C4' energy: -111.959
flat angles C4'-P-C4' energy: -125.055
flat angles P-C4'-P energy: -84.950
tors. eta vs tors. theta energy: -107.837
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: 2
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1238.308900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.308900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.308900 (E_RNA)
where:
Base-Base interactions energy: -776.659
where: short stacking energy: -365.896
Base-Backbone interact. energy: -3.735
local terms energy: -457.915580
where:
bonds (distance) C4'-P energy: -100.916
bonds (distance) P-C4' energy: -107.338
flat angles C4'-P-C4' energy: -100.831
flat angles P-C4'-P energy: -76.825
tors. eta vs tors. theta energy: -72.006
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: 3
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -1293.776895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.776895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.776895 (E_RNA)
where:
Base-Base interactions energy: -834.437
where: short stacking energy: -377.766
Base-Backbone interact. energy: -0.258
local terms energy: -459.081690
where:
bonds (distance) C4'-P energy: -72.693
bonds (distance) P-C4' energy: -97.327
flat angles C4'-P-C4' energy: -95.829
flat angles P-C4'-P energy: -88.232
tors. eta vs tors. theta energy: -105.001
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: 10
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -1139.741904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.741904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.741904 (E_RNA)
where:
Base-Base interactions energy: -724.629
where: short stacking energy: -331.883
Base-Backbone interact. energy: -1.052
local terms energy: -414.060769
where:
bonds (distance) C4'-P energy: -98.479
bonds (distance) P-C4' energy: -80.853
flat angles C4'-P-C4' energy: -87.778
flat angles P-C4'-P energy: -71.647
tors. eta vs tors. theta energy: -75.304
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: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -654.461364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.461364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.461364 (E_RNA)
where:
Base-Base interactions energy: -327.735
where: short stacking energy: -171.092
Base-Backbone interact. energy: -4.306
local terms energy: -322.420512
where:
bonds (distance) C4'-P energy: -102.772
bonds (distance) P-C4' energy: -106.962
flat angles C4'-P-C4' energy: -86.084
flat angles P-C4'-P energy: -34.692
tors. eta vs tors. theta energy: 8.090
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: 5
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -526.429905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.429905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.429905 (E_RNA)
where:
Base-Base interactions energy: -225.766
where: short stacking energy: -128.529
Base-Backbone interact. energy: -0.391
local terms energy: -300.272495
where:
bonds (distance) C4'-P energy: -101.650
bonds (distance) P-C4' energy: -82.499
flat angles C4'-P-C4' energy: -85.281
flat angles P-C4'-P energy: -55.701
tors. eta vs tors. theta energy: 24.859
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: 7
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1942.167259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.167259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.167259 (E_RNA)
where:
Base-Base interactions energy: -1337.989
where: short stacking energy: -571.713
Base-Backbone interact. energy: -5.458
local terms energy: -598.720208
where:
bonds (distance) C4'-P energy: -116.113
bonds (distance) P-C4' energy: -110.712
flat angles C4'-P-C4' energy: -114.059
flat angles P-C4'-P energy: -93.846
tors. eta vs tors. theta energy: -163.990
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: 2, replica: 9
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1913.387051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.387051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.387051 (E_RNA)
where:
Base-Base interactions energy: -1289.950
where: short stacking energy: -535.498
Base-Backbone interact. energy: -1.946
local terms energy: -621.491825
where:
bonds (distance) C4'-P energy: -119.841
bonds (distance) P-C4' energy: -117.140
flat angles C4'-P-C4' energy: -134.039
flat angles P-C4'-P energy: -87.341
tors. eta vs tors. theta energy: -163.130
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: 3, replica: 4
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1842.357906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.357906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.357906 (E_RNA)
where:
Base-Base interactions energy: -1294.419
where: short stacking energy: -526.475
Base-Backbone interact. energy: 7.892
local terms energy: -555.830396
where:
bonds (distance) C4'-P energy: -98.026
bonds (distance) P-C4' energy: -114.788
flat angles C4'-P-C4' energy: -124.432
flat angles P-C4'-P energy: -65.717
tors. eta vs tors. theta energy: -152.868
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: 1
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1692.783063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.783063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.783063 (E_RNA)
where:
Base-Base interactions energy: -1155.368
where: short stacking energy: -497.333
Base-Backbone interact. energy: -1.426
local terms energy: -535.988819
where:
bonds (distance) C4'-P energy: -102.552
bonds (distance) P-C4' energy: -101.918
flat angles C4'-P-C4' energy: -121.192
flat angles P-C4'-P energy: -80.551
tors. eta vs tors. theta energy: -129.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1543.558214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.558214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.558214 (E_RNA)
where:
Base-Base interactions energy: -1000.844
where: short stacking energy: -439.436
Base-Backbone interact. energy: 0.345
local terms energy: -543.058861
where:
bonds (distance) C4'-P energy: -108.718
bonds (distance) P-C4' energy: -123.078
flat angles C4'-P-C4' energy: -127.410
flat angles P-C4'-P energy: -75.669
tors. eta vs tors. theta energy: -108.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1251.295148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.295148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.295148 (E_RNA)
where:
Base-Base interactions energy: -811.825
where: short stacking energy: -357.007
Base-Backbone interact. energy: -1.321
local terms energy: -438.149136
where:
bonds (distance) C4'-P energy: -102.948
bonds (distance) P-C4' energy: -91.848
flat angles C4'-P-C4' energy: -100.151
flat angles P-C4'-P energy: -64.440
tors. eta vs tors. theta energy: -78.762
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: 3
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -1254.533301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.533301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.533301 (E_RNA)
where:
Base-Base interactions energy: -792.752
where: short stacking energy: -363.580
Base-Backbone interact. energy: 1.294
local terms energy: -463.074501
where:
bonds (distance) C4'-P energy: -104.977
bonds (distance) P-C4' energy: -106.995
flat angles C4'-P-C4' energy: -103.343
flat angles P-C4'-P energy: -61.585
tors. eta vs tors. theta energy: -86.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -1173.311226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.311226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.311226 (E_RNA)
where:
Base-Base interactions energy: -769.829
where: short stacking energy: -361.953
Base-Backbone interact. energy: 12.470
local terms energy: -415.951591
where:
bonds (distance) C4'-P energy: -82.192
bonds (distance) P-C4' energy: -89.341
flat angles C4'-P-C4' energy: -104.990
flat angles P-C4'-P energy: -68.527
tors. eta vs tors. theta energy: -70.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -749.335745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.335745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.335745 (E_RNA)
where:
Base-Base interactions energy: -394.824
where: short stacking energy: -210.202
Base-Backbone interact. energy: -0.194
local terms energy: -354.318068
where:
bonds (distance) C4'-P energy: -76.276
bonds (distance) P-C4' energy: -106.122
flat angles C4'-P-C4' energy: -83.029
flat angles P-C4'-P energy: -73.567
tors. eta vs tors. theta energy: -15.324
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: 5
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -556.227202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.227202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.227202 (E_RNA)
where:
Base-Base interactions energy: -251.456
where: short stacking energy: -167.192
Base-Backbone interact. energy: -1.541
local terms energy: -303.230435
where:
bonds (distance) C4'-P energy: -89.066
bonds (distance) P-C4' energy: -92.330
flat angles C4'-P-C4' energy: -88.926
flat angles P-C4'-P energy: -36.176
tors. eta vs tors. theta energy: 3.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1962.353536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.353536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.353536 (E_RNA)
where:
Base-Base interactions energy: -1361.759
where: short stacking energy: -582.549
Base-Backbone interact. energy: -3.695
local terms energy: -596.899903
where:
bonds (distance) C4'-P energy: -111.920
bonds (distance) P-C4' energy: -105.627
flat angles C4'-P-C4' energy: -137.235
flat angles P-C4'-P energy: -87.564
tors. eta vs tors. theta energy: -154.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1894.136193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.136193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.136193 (E_RNA)
where:
Base-Base interactions energy: -1281.686
where: short stacking energy: -561.830
Base-Backbone interact. energy: -3.108
local terms energy: -609.342299
where:
bonds (distance) C4'-P energy: -110.647
bonds (distance) P-C4' energy: -113.441
flat angles C4'-P-C4' energy: -124.706
flat angles P-C4'-P energy: -91.646
tors. eta vs tors. theta energy: -168.901
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: 4
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1831.594561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.594561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.594561 (E_RNA)
where:
Base-Base interactions energy: -1234.494
where: short stacking energy: -522.026
Base-Backbone interact. energy: -0.109
local terms energy: -596.990953
where:
bonds (distance) C4'-P energy: -114.348
bonds (distance) P-C4' energy: -96.647
flat angles C4'-P-C4' energy: -143.154
flat angles P-C4'-P energy: -83.881
tors. eta vs tors. theta energy: -158.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1697.990626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.990626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.990626 (E_RNA)
where:
Base-Base interactions energy: -1164.093
where: short stacking energy: -496.365
Base-Backbone interact. energy: -2.364
local terms energy: -531.532954
where:
bonds (distance) C4'-P energy: -92.502
bonds (distance) P-C4' energy: -96.920
flat angles C4'-P-C4' energy: -129.513
flat angles P-C4'-P energy: -76.039
tors. eta vs tors. theta energy: -136.559
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: 5, replica: 6
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1548.815033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.815033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.815033 (E_RNA)
where:
Base-Base interactions energy: -1020.344
where: short stacking energy: -438.444
Base-Backbone interact. energy: -2.992
local terms energy: -525.479319
where:
bonds (distance) C4'-P energy: -110.270
bonds (distance) P-C4' energy: -113.205
flat angles C4'-P-C4' energy: -122.292
flat angles P-C4'-P energy: -77.665
tors. eta vs tors. theta energy: -102.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1331.705307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.705307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.705307 (E_RNA)
where:
Base-Base interactions energy: -872.440
where: short stacking energy: -414.948
Base-Backbone interact. energy: 0.573
local terms energy: -459.838257
where:
bonds (distance) C4'-P energy: -100.182
bonds (distance) P-C4' energy: -98.430
flat angles C4'-P-C4' energy: -106.756
flat angles P-C4'-P energy: -49.549
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: 2
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -1240.775550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.775550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.775550 (E_RNA)
where:
Base-Base interactions energy: -811.238
where: short stacking energy: -356.466
Base-Backbone interact. energy: 0.841
local terms energy: -430.377894
where:
bonds (distance) C4'-P energy: -91.846
bonds (distance) P-C4' energy: -103.878
flat angles C4'-P-C4' energy: -102.030
flat angles P-C4'-P energy: -58.572
tors. eta vs tors. theta energy: -74.053
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: 10
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -1176.588313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.588313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.588313 (E_RNA)
where:
Base-Base interactions energy: -761.287
where: short stacking energy: -331.162
Base-Backbone interact. energy: -3.599
local terms energy: -411.702954
where:
bonds (distance) C4'-P energy: -71.261
bonds (distance) P-C4' energy: -99.288
flat angles C4'-P-C4' energy: -100.225
flat angles P-C4'-P energy: -70.186
tors. eta vs tors. theta energy: -70.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -787.774309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.774309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.774309 (E_RNA)
where:
Base-Base interactions energy: -434.924
where: short stacking energy: -240.979
Base-Backbone interact. energy: 2.570
local terms energy: -355.420589
where:
bonds (distance) C4'-P energy: -76.539
bonds (distance) P-C4' energy: -91.796
flat angles C4'-P-C4' energy: -90.092
flat angles P-C4'-P energy: -59.745
tors. eta vs tors. theta energy: -37.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -566.917127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.917127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.917127 (E_RNA)
where:
Base-Base interactions energy: -254.568
where: short stacking energy: -165.425
Base-Backbone interact. energy: 3.876
local terms energy: -316.225045
where:
bonds (distance) C4'-P energy: -88.494
bonds (distance) P-C4' energy: -83.432
flat angles C4'-P-C4' energy: -87.788
flat angles P-C4'-P energy: -58.739
tors. eta vs tors. theta energy: 2.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1943.734589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.734589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.734589 (E_RNA)
where:
Base-Base interactions energy: -1347.999
where: short stacking energy: -553.244
Base-Backbone interact. energy: 2.035
local terms energy: -597.770651
where:
bonds (distance) C4'-P energy: -113.829
bonds (distance) P-C4' energy: -120.399
flat angles C4'-P-C4' energy: -117.707
flat angles P-C4'-P energy: -95.738
tors. eta vs tors. theta energy: -150.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1873.758944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.758944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.758944 (E_RNA)
where:
Base-Base interactions energy: -1271.928
where: short stacking energy: -528.485
Base-Backbone interact. energy: 4.055
local terms energy: -605.886301
where:
bonds (distance) C4'-P energy: -108.015
bonds (distance) P-C4' energy: -131.808
flat angles C4'-P-C4' energy: -127.150
flat angles P-C4'-P energy: -85.664
tors. eta vs tors. theta energy: -153.250
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: 3, replica: 4
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1847.663189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.663189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.663189 (E_RNA)
where:
Base-Base interactions energy: -1259.353
where: short stacking energy: -537.096
Base-Backbone interact. energy: -3.086
local terms energy: -585.223833
where:
bonds (distance) C4'-P energy: -105.293
bonds (distance) P-C4' energy: -107.423
flat angles C4'-P-C4' energy: -133.509
flat angles P-C4'-P energy: -74.286
tors. eta vs tors. theta energy: -164.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1713.266473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.266473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.266473 (E_RNA)
where:
Base-Base interactions energy: -1153.091
where: short stacking energy: -486.319
Base-Backbone interact. energy: -1.913
local terms energy: -558.262541
where:
bonds (distance) C4'-P energy: -92.994
bonds (distance) P-C4' energy: -111.410
flat angles C4'-P-C4' energy: -127.035
flat angles P-C4'-P energy: -79.528
tors. eta vs tors. theta energy: -147.295
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: 6
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1544.105089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.105089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.105089 (E_RNA)
where:
Base-Base interactions energy: -1004.963
where: short stacking energy: -438.993
Base-Backbone interact. energy: 4.801
local terms energy: -543.943086
where:
bonds (distance) C4'-P energy: -113.093
bonds (distance) P-C4' energy: -109.141
flat angles C4'-P-C4' energy: -121.035
flat angles P-C4'-P energy: -74.094
tors. eta vs tors. theta energy: -126.580
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: 6, replica: 3
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1317.483859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.483859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.483859 (E_RNA)
where:
Base-Base interactions energy: -839.269
where: short stacking energy: -390.534
Base-Backbone interact. energy: -0.683
local terms energy: -477.532301
where:
bonds (distance) C4'-P energy: -102.602
bonds (distance) P-C4' energy: -95.093
flat angles C4'-P-C4' energy: -105.488
flat angles P-C4'-P energy: -70.673
tors. eta vs tors. theta energy: -103.675
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: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -1209.091818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.091818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.091818 (E_RNA)
where:
Base-Base interactions energy: -742.247
where: short stacking energy: -349.586
Base-Backbone interact. energy: -0.036
local terms energy: -466.808309
where:
bonds (distance) C4'-P energy: -104.545
bonds (distance) P-C4' energy: -117.912
flat angles C4'-P-C4' energy: -102.423
flat angles P-C4'-P energy: -63.544
tors. eta vs tors. theta energy: -78.384
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: 2
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -1110.628889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.628889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.628889 (E_RNA)
where:
Base-Base interactions energy: -681.885
where: short stacking energy: -328.879
Base-Backbone interact. energy: -3.326
local terms energy: -425.417732
where:
bonds (distance) C4'-P energy: -84.156
bonds (distance) P-C4' energy: -104.093
flat angles C4'-P-C4' energy: -103.183
flat angles P-C4'-P energy: -61.756
tors. eta vs tors. theta energy: -72.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -747.746705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.746705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.746705 (E_RNA)
where:
Base-Base interactions energy: -392.137
where: short stacking energy: -207.103
Base-Backbone interact. energy: -0.232
local terms energy: -355.377717
where:
bonds (distance) C4'-P energy: -98.629
bonds (distance) P-C4' energy: -93.104
flat angles C4'-P-C4' energy: -83.738
flat angles P-C4'-P energy: -69.292
tors. eta vs tors. theta energy: -10.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -573.773403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.773403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.773403 (E_RNA)
where:
Base-Base interactions energy: -251.574
where: short stacking energy: -160.436
Base-Backbone interact. energy: 0.022
local terms energy: -322.221976
where:
bonds (distance) C4'-P energy: -77.035
bonds (distance) P-C4' energy: -110.289
flat angles C4'-P-C4' energy: -78.121
flat angles P-C4'-P energy: -52.949
tors. eta vs tors. theta energy: -3.828
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: 1, replica: 7
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1968.985858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.985858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.985858 (E_RNA)
where:
Base-Base interactions energy: -1356.227
where: short stacking energy: -569.785
Base-Backbone interact. energy: -3.510
local terms energy: -609.248380
where:
bonds (distance) C4'-P energy: -123.646
bonds (distance) P-C4' energy: -109.197
flat angles C4'-P-C4' energy: -131.716
flat angles P-C4'-P energy: -91.217
tors. eta vs tors. theta energy: -153.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1858.374136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.374136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.374136 (E_RNA)
where:
Base-Base interactions energy: -1275.151
where: short stacking energy: -515.282
Base-Backbone interact. energy: -2.025
local terms energy: -581.197244
where:
bonds (distance) C4'-P energy: -122.553
bonds (distance) P-C4' energy: -111.343
flat angles C4'-P-C4' energy: -125.343
flat angles P-C4'-P energy: -70.907
tors. eta vs tors. theta energy: -151.050
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: 4
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1793.969044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.969044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.969044 (E_RNA)
where:
Base-Base interactions energy: -1235.694
where: short stacking energy: -529.132
Base-Backbone interact. energy: 0.731
local terms energy: -559.006728
where:
bonds (distance) C4'-P energy: -116.039
bonds (distance) P-C4' energy: -106.040
flat angles C4'-P-C4' energy: -107.679
flat angles P-C4'-P energy: -71.508
tors. eta vs tors. theta energy: -157.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1696.118540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.118540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.118540 (E_RNA)
where:
Base-Base interactions energy: -1115.133
where: short stacking energy: -478.609
Base-Backbone interact. energy: -1.797
local terms energy: -579.187984
where:
bonds (distance) C4'-P energy: -106.178
bonds (distance) P-C4' energy: -119.985
flat angles C4'-P-C4' energy: -128.920
flat angles P-C4'-P energy: -73.909
tors. eta vs tors. theta energy: -150.195
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: 6
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1531.786819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.786819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.786819 (E_RNA)
where:
Base-Base interactions energy: -1016.735
where: short stacking energy: -437.546
Base-Backbone interact. energy: 1.242
local terms energy: -516.293454
where:
bonds (distance) C4'-P energy: -91.037
bonds (distance) P-C4' energy: -109.595
flat angles C4'-P-C4' energy: -125.432
flat angles P-C4'-P energy: -77.221
tors. eta vs tors. theta energy: -113.009
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: 3
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -1404.417146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.417146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.417146 (E_RNA)
where:
Base-Base interactions energy: -898.634
where: short stacking energy: -389.614
Base-Backbone interact. energy: -1.960
local terms energy: -503.823273
where:
bonds (distance) C4'-P energy: -105.828
bonds (distance) P-C4' energy: -111.546
flat angles C4'-P-C4' energy: -109.978
flat angles P-C4'-P energy: -74.593
tors. eta vs tors. theta energy: -101.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -1261.222003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.222003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.222003 (E_RNA)
where:
Base-Base interactions energy: -797.861
where: short stacking energy: -390.317
Base-Backbone interact. energy: 1.113
local terms energy: -464.473656
where:
bonds (distance) C4'-P energy: -93.970
bonds (distance) P-C4' energy: -111.679
flat angles C4'-P-C4' energy: -109.611
flat angles P-C4'-P energy: -52.724
tors. eta vs tors. theta energy: -96.489
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: 2
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -1081.512894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.512894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.512894 (E_RNA)
where:
Base-Base interactions energy: -672.141
where: short stacking energy: -316.289
Base-Backbone interact. energy: -2.728
local terms energy: -406.643537
where:
bonds (distance) C4'-P energy: -94.777
bonds (distance) P-C4' energy: -111.360
flat angles C4'-P-C4' energy: -84.149
flat angles P-C4'-P energy: -63.650
tors. eta vs tors. theta energy: -52.707
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: 8
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -801.624135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.624135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.624135 (E_RNA)
where:
Base-Base interactions energy: -420.010
where: short stacking energy: -209.286
Base-Backbone interact. energy: -1.571
local terms energy: -380.043103
where:
bonds (distance) C4'-P energy: -99.589
bonds (distance) P-C4' energy: -118.225
flat angles C4'-P-C4' energy: -92.594
flat angles P-C4'-P energy: -61.067
tors. eta vs tors. theta energy: -8.568
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: 5
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -635.961060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.961060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.961060 (E_RNA)
where:
Base-Base interactions energy: -294.574
where: short stacking energy: -192.582
Base-Backbone interact. energy: 3.333
local terms energy: -344.720436
where:
bonds (distance) C4'-P energy: -88.555
bonds (distance) P-C4' energy: -105.119
flat angles C4'-P-C4' energy: -101.544
flat angles P-C4'-P energy: -48.878
tors. eta vs tors. theta energy: -0.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1943.442947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.442947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.442947 (E_RNA)
where:
Base-Base interactions energy: -1319.615
where: short stacking energy: -563.865
Base-Backbone interact. energy: -1.987
local terms energy: -621.841214
where:
bonds (distance) C4'-P energy: -114.261
bonds (distance) P-C4' energy: -117.324
flat angles C4'-P-C4' energy: -135.798
flat angles P-C4'-P energy: -88.757
tors. eta vs tors. theta energy: -165.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1913.682691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.682691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.682691 (E_RNA)
where:
Base-Base interactions energy: -1344.327
where: short stacking energy: -552.224
Base-Backbone interact. energy: -0.357
local terms energy: -568.998602
where:
bonds (distance) C4'-P energy: -105.932
bonds (distance) P-C4' energy: -99.492
flat angles C4'-P-C4' energy: -126.598
flat angles P-C4'-P energy: -79.955
tors. eta vs tors. theta energy: -157.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -1809.282971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.282971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.282971 (E_RNA)
where:
Base-Base interactions energy: -1226.546
where: short stacking energy: -527.782
Base-Backbone interact. energy: -2.028
local terms energy: -580.709792
where:
bonds (distance) C4'-P energy: -118.272
bonds (distance) P-C4' energy: -105.281
flat angles C4'-P-C4' energy: -131.331
flat angles P-C4'-P energy: -80.475
tors. eta vs tors. theta energy: -145.351
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: 4, replica: 1
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -1673.793018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.793018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.793018 (E_RNA)
where:
Base-Base interactions energy: -1103.020
where: short stacking energy: -484.047
Base-Backbone interact. energy: -1.985
local terms energy: -568.788069
where:
bonds (distance) C4'-P energy: -96.682
bonds (distance) P-C4' energy: -113.056
flat angles C4'-P-C4' energy: -126.500
flat angles P-C4'-P energy: -97.448
tors. eta vs tors. theta energy: -135.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1565.767203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.767203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.767203 (E_RNA)
where:
Base-Base interactions energy: -1060.860
where: short stacking energy: -457.484
Base-Backbone interact. energy: 1.931
local terms energy: -506.838292
where:
bonds (distance) C4'-P energy: -107.688
bonds (distance) P-C4' energy: -90.632
flat angles C4'-P-C4' energy: -113.887
flat angles P-C4'-P energy: -82.214
tors. eta vs tors. theta energy: -112.417
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: 3
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1428.850429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.850429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.850429 (E_RNA)
where:
Base-Base interactions energy: -908.340
where: short stacking energy: -408.594
Base-Backbone interact. energy: -1.495
local terms energy: -519.015834
where:
bonds (distance) C4'-P energy: -103.806
bonds (distance) P-C4' energy: -119.667
flat angles C4'-P-C4' energy: -112.761
flat angles P-C4'-P energy: -72.941
tors. eta vs tors. theta energy: -109.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -1247.889354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.889354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.889354 (E_RNA)
where:
Base-Base interactions energy: -805.397
where: short stacking energy: -347.779
Base-Backbone interact. energy: 1.529
local terms energy: -444.021347
where:
bonds (distance) C4'-P energy: -88.321
bonds (distance) P-C4' energy: -104.755
flat angles C4'-P-C4' energy: -96.919
flat angles P-C4'-P energy: -68.511
tors. eta vs tors. theta energy: -85.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -1046.903664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.903664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.903664 (E_RNA)
where:
Base-Base interactions energy: -619.344
where: short stacking energy: -290.704
Base-Backbone interact. energy: 0.691
local terms energy: -428.250252
where:
bonds (distance) C4'-P energy: -107.143
bonds (distance) P-C4' energy: -111.700
flat angles C4'-P-C4' energy: -110.269
flat angles P-C4'-P energy: -61.571
tors. eta vs tors. theta energy: -37.567
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: 9, replica: 8
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -779.922311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.922311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.922311 (E_RNA)
where:
Base-Base interactions energy: -420.829
where: short stacking energy: -203.359
Base-Backbone interact. energy: -0.034
local terms energy: -359.059790
where:
bonds (distance) C4'-P energy: -96.813
bonds (distance) P-C4' energy: -101.668
flat angles C4'-P-C4' energy: -76.648
flat angles P-C4'-P energy: -66.694
tors. eta vs tors. theta energy: -17.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -537.163250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.163250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.163250 (E_RNA)
where:
Base-Base interactions energy: -230.211
where: short stacking energy: -134.374
Base-Backbone interact. energy: 5.267
local terms energy: -312.219278
where:
bonds (distance) C4'-P energy: -98.659
bonds (distance) P-C4' energy: -96.254
flat angles C4'-P-C4' energy: -85.194
flat angles P-C4'-P energy: -66.328
tors. eta vs tors. theta energy: 34.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1958.073199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.073199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.073199 (E_RNA)
where:
Base-Base interactions energy: -1334.003
where: short stacking energy: -545.505
Base-Backbone interact. energy: -0.862
local terms energy: -623.207978
where:
bonds (distance) C4'-P energy: -118.114
bonds (distance) P-C4' energy: -117.495
flat angles C4'-P-C4' energy: -132.812
flat angles P-C4'-P energy: -89.760
tors. eta vs tors. theta energy: -165.028
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: 2, replica: 4
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1840.025582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.025582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.025582 (E_RNA)
where:
Base-Base interactions energy: -1220.784
where: short stacking energy: -542.696
Base-Backbone interact. energy: -1.653
local terms energy: -617.589070
where:
bonds (distance) C4'-P energy: -113.014
bonds (distance) P-C4' energy: -129.174
flat angles C4'-P-C4' energy: -127.869
flat angles P-C4'-P energy: -87.855
tors. eta vs tors. theta energy: -159.676
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: 103
Temperature: 1.000000
Total energy: -1835.664133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.664133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.664133 (E_RNA)
where:
Base-Base interactions energy: -1261.994
where: short stacking energy: -520.390
Base-Backbone interact. energy: -4.360
local terms energy: -569.309916
where:
bonds (distance) C4'-P energy: -116.160
bonds (distance) P-C4' energy: -109.870
flat angles C4'-P-C4' energy: -116.796
flat angles P-C4'-P energy: -85.020
tors. eta vs tors. theta energy: -141.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -1657.686941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.686941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.686941 (E_RNA)
where:
Base-Base interactions energy: -1126.096
where: short stacking energy: -482.308
Base-Backbone interact. energy: -2.592
local terms energy: -528.998752
where:
bonds (distance) C4'-P energy: -101.802
bonds (distance) P-C4' energy: -108.624
flat angles C4'-P-C4' energy: -111.117
flat angles P-C4'-P energy: -78.168
tors. eta vs tors. theta energy: -129.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1521.161949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.161949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.161949 (E_RNA)
where:
Base-Base interactions energy: -1022.248
where: short stacking energy: -444.605
Base-Backbone interact. energy: -0.813
local terms energy: -498.100270
where:
bonds (distance) C4'-P energy: -106.150
bonds (distance) P-C4' energy: -96.241
flat angles C4'-P-C4' energy: -114.223
flat angles P-C4'-P energy: -68.561
tors. eta vs tors. theta energy: -112.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -1430.077358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.077358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.077358 (E_RNA)
where:
Base-Base interactions energy: -931.244
where: short stacking energy: -423.270
Base-Backbone interact. energy: -1.127
local terms energy: -497.706555
where:
bonds (distance) C4'-P energy: -105.138
bonds (distance) P-C4' energy: -101.474
flat angles C4'-P-C4' energy: -114.323
flat angles P-C4'-P energy: -62.321
tors. eta vs tors. theta energy: -114.450
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: 10
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -1277.666341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.666341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.666341 (E_RNA)
where:
Base-Base interactions energy: -803.143
where: short stacking energy: -359.162
Base-Backbone interact. energy: -0.857
local terms energy: -473.666705
where:
bonds (distance) C4'-P energy: -104.096
bonds (distance) P-C4' energy: -107.468
flat angles C4'-P-C4' energy: -114.822
flat angles P-C4'-P energy: -63.790
tors. eta vs tors. theta energy: -83.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -1089.142201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.142201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.142201 (E_RNA)
where:
Base-Base interactions energy: -656.805
where: short stacking energy: -327.714
Base-Backbone interact. energy: 3.980
local terms energy: -436.317136
where:
bonds (distance) C4'-P energy: -95.696
bonds (distance) P-C4' energy: -107.272
flat angles C4'-P-C4' energy: -87.310
flat angles P-C4'-P energy: -74.911
tors. eta vs tors. theta energy: -71.129
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: 9, replica: 8
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -808.778064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.778064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.778064 (E_RNA)
where:
Base-Base interactions energy: -431.907
where: short stacking energy: -207.672
Base-Backbone interact. energy: -0.659
local terms energy: -376.212412
where:
bonds (distance) C4'-P energy: -99.875
bonds (distance) P-C4' energy: -123.169
flat angles C4'-P-C4' energy: -72.097
flat angles P-C4'-P energy: -54.708
tors. eta vs tors. theta energy: -26.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -566.528323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.528323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.528323 (E_RNA)
where:
Base-Base interactions energy: -247.350
where: short stacking energy: -137.175
Base-Backbone interact. energy: 4.279
local terms energy: -323.457232
where:
bonds (distance) C4'-P energy: -93.548
bonds (distance) P-C4' energy: -102.756
flat angles C4'-P-C4' energy: -90.436
flat angles P-C4'-P energy: -59.689
tors. eta vs tors. theta energy: 22.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1954.078835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.078835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.078835 (E_RNA)
where:
Base-Base interactions energy: -1333.798
where: short stacking energy: -548.249
Base-Backbone interact. energy: -4.899
local terms energy: -615.382275
where:
bonds (distance) C4'-P energy: -109.684
bonds (distance) P-C4' energy: -112.422
flat angles C4'-P-C4' energy: -134.452
flat angles P-C4'-P energy: -85.445
tors. eta vs tors. theta energy: -173.379
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: 4
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1857.321927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.321927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.321927 (E_RNA)
where:
Base-Base interactions energy: -1248.439
where: short stacking energy: -560.295
Base-Backbone interact. energy: -1.806
local terms energy: -607.077260
where:
bonds (distance) C4'-P energy: -117.199
bonds (distance) P-C4' energy: -112.562
flat angles C4'-P-C4' energy: -126.117
flat angles P-C4'-P energy: -86.324
tors. eta vs tors. theta energy: -164.876
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: 3, replica: 7
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -1834.525168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.525168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.525168 (E_RNA)
where:
Base-Base interactions energy: -1277.814
where: short stacking energy: -533.575
Base-Backbone interact. energy: -3.024
local terms energy: -553.687091
where:
bonds (distance) C4'-P energy: -118.376
bonds (distance) P-C4' energy: -102.787
flat angles C4'-P-C4' energy: -110.363
flat angles P-C4'-P energy: -78.682
tors. eta vs tors. theta energy: -143.479
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: 1
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -1697.967730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.967730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.967730 (E_RNA)
where:
Base-Base interactions energy: -1129.326
where: short stacking energy: -488.708
Base-Backbone interact. energy: -3.502
local terms energy: -565.140095
where:
bonds (distance) C4'-P energy: -106.999
bonds (distance) P-C4' energy: -117.987
flat angles C4'-P-C4' energy: -110.153
flat angles P-C4'-P energy: -75.770
tors. eta vs tors. theta energy: -154.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1500.932453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.932453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.932453 (E_RNA)
where:
Base-Base interactions energy: -995.055
where: short stacking energy: -418.638
Base-Backbone interact. energy: 0.058
local terms energy: -505.936110
where:
bonds (distance) C4'-P energy: -105.143
bonds (distance) P-C4' energy: -97.745
flat angles C4'-P-C4' energy: -112.013
flat angles P-C4'-P energy: -78.093
tors. eta vs tors. theta energy: -112.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -1463.132645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.132645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.132645 (E_RNA)
where:
Base-Base interactions energy: -933.157
where: short stacking energy: -425.327
Base-Backbone interact. energy: -2.557
local terms energy: -527.418705
where:
bonds (distance) C4'-P energy: -100.354
bonds (distance) P-C4' energy: -115.937
flat angles C4'-P-C4' energy: -108.699
flat angles P-C4'-P energy: -78.486
tors. eta vs tors. theta energy: -123.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -1234.035296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.035296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.035296 (E_RNA)
where:
Base-Base interactions energy: -776.773
where: short stacking energy: -351.565
Base-Backbone interact. energy: -2.368
local terms energy: -454.893762
where:
bonds (distance) C4'-P energy: -87.336
bonds (distance) P-C4' energy: -119.748
flat angles C4'-P-C4' energy: -103.068
flat angles P-C4'-P energy: -65.261
tors. eta vs tors. theta energy: -79.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -1109.996058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.996058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.996058 (E_RNA)
where:
Base-Base interactions energy: -674.387
where: short stacking energy: -318.942
Base-Backbone interact. energy: -0.996
local terms energy: -434.613790
where:
bonds (distance) C4'-P energy: -81.428
bonds (distance) P-C4' energy: -102.262
flat angles C4'-P-C4' energy: -113.804
flat angles P-C4'-P energy: -64.345
tors. eta vs tors. theta energy: -72.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -872.392752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.392752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.392752 (E_RNA)
where:
Base-Base interactions energy: -537.472
where: short stacking energy: -271.865
Base-Backbone interact. energy: 1.464
local terms energy: -336.384278
where:
bonds (distance) C4'-P energy: -90.092
bonds (distance) P-C4' energy: -85.917
flat angles C4'-P-C4' energy: -91.455
flat angles P-C4'-P energy: -40.943
tors. eta vs tors. theta energy: -27.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -624.507436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.507436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.507436 (E_RNA)
where:
Base-Base interactions energy: -327.362
where: short stacking energy: -175.230
Base-Backbone interact. energy: -0.674
local terms energy: -296.470849
where:
bonds (distance) C4'-P energy: -75.496
bonds (distance) P-C4' energy: -107.023
flat angles C4'-P-C4' energy: -84.894
flat angles P-C4'-P energy: -32.982
tors. eta vs tors. theta energy: 3.925
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: 9
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1956.303485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.303485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.303485 (E_RNA)
where:
Base-Base interactions energy: -1361.427
where: short stacking energy: -555.790
Base-Backbone interact. energy: -2.676
local terms energy: -592.201319
where:
bonds (distance) C4'-P energy: -120.163
bonds (distance) P-C4' energy: -108.755
flat angles C4'-P-C4' energy: -133.464
flat angles P-C4'-P energy: -76.243
tors. eta vs tors. theta energy: -153.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1855.464558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.464558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.464558 (E_RNA)
where:
Base-Base interactions energy: -1264.109
where: short stacking energy: -529.027
Base-Backbone interact. energy: -4.777
local terms energy: -586.578573
where:
bonds (distance) C4'-P energy: -96.897
bonds (distance) P-C4' energy: -113.503
flat angles C4'-P-C4' energy: -129.758
flat angles P-C4'-P energy: -95.756
tors. eta vs tors. theta energy: -150.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1802.545705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.545705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.545705 (E_RNA)
where:
Base-Base interactions energy: -1270.601
where: short stacking energy: -520.624
Base-Backbone interact. energy: -4.453
local terms energy: -527.491121
where:
bonds (distance) C4'-P energy: -98.537
bonds (distance) P-C4' energy: -99.495
flat angles C4'-P-C4' energy: -121.582
flat angles P-C4'-P energy: -72.336
tors. eta vs tors. theta energy: -135.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1670.197563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.197563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.197563 (E_RNA)
where:
Base-Base interactions energy: -1138.188
where: short stacking energy: -494.222
Base-Backbone interact. energy: 0.515
local terms energy: -532.525381
where:
bonds (distance) C4'-P energy: -114.272
bonds (distance) P-C4' energy: -93.628
flat angles C4'-P-C4' energy: -112.653
flat angles P-C4'-P energy: -76.470
tors. eta vs tors. theta energy: -135.503
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: 5, replica: 6
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1492.292400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.292400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.292400 (E_RNA)
where:
Base-Base interactions energy: -997.189
where: short stacking energy: -425.950
Base-Backbone interact. energy: 2.362
local terms energy: -497.465302
where:
bonds (distance) C4'-P energy: -99.237
bonds (distance) P-C4' energy: -94.925
flat angles C4'-P-C4' energy: -112.694
flat angles P-C4'-P energy: -76.514
tors. eta vs tors. theta energy: -114.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -1416.705596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.705596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.705596 (E_RNA)
where:
Base-Base interactions energy: -899.804
where: short stacking energy: -402.540
Base-Backbone interact. energy: -1.658
local terms energy: -515.243310
where:
bonds (distance) C4'-P energy: -111.839
bonds (distance) P-C4' energy: -116.988
flat angles C4'-P-C4' energy: -109.763
flat angles P-C4'-P energy: -59.994
tors. eta vs tors. theta energy: -116.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1281.469184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.469184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.469184 (E_RNA)
where:
Base-Base interactions energy: -832.793
where: short stacking energy: -365.448
Base-Backbone interact. energy: 6.049
local terms energy: -454.725285
where:
bonds (distance) C4'-P energy: -117.328
bonds (distance) P-C4' energy: -95.494
flat angles C4'-P-C4' energy: -89.496
flat angles P-C4'-P energy: -70.549
tors. eta vs tors. theta energy: -81.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -1120.626387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.626387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.626387 (E_RNA)
where:
Base-Base interactions energy: -694.333
where: short stacking energy: -307.429
Base-Backbone interact. energy: 2.403
local terms energy: -428.696310
where:
bonds (distance) C4'-P energy: -113.445
bonds (distance) P-C4' energy: -103.830
flat angles C4'-P-C4' energy: -82.563
flat angles P-C4'-P energy: -58.226
tors. eta vs tors. theta energy: -70.633
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: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -865.766968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.766968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.766968 (E_RNA)
where:
Base-Base interactions energy: -541.024
where: short stacking energy: -246.802
Base-Backbone interact. energy: 1.748
local terms energy: -326.490744
where:
bonds (distance) C4'-P energy: -80.899
bonds (distance) P-C4' energy: -104.634
flat angles C4'-P-C4' energy: -70.001
flat angles P-C4'-P energy: -52.458
tors. eta vs tors. theta energy: -18.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -684.943441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.943441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.943441 (E_RNA)
where:
Base-Base interactions energy: -369.389
where: short stacking energy: -203.097
Base-Backbone interact. energy: -0.780
local terms energy: -314.775171
where:
bonds (distance) C4'-P energy: -91.219
bonds (distance) P-C4' energy: -96.651
flat angles C4'-P-C4' energy: -71.004
flat angles P-C4'-P energy: -48.896
tors. eta vs tors. theta energy: -7.004
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: 9
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1979.779828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.779828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.779828 (E_RNA)
where:
Base-Base interactions energy: -1355.166
where: short stacking energy: -543.294
Base-Backbone interact. energy: -2.841
local terms energy: -621.772417
where:
bonds (distance) C4'-P energy: -101.906
bonds (distance) P-C4' energy: -124.173
flat angles C4'-P-C4' energy: -140.310
flat angles P-C4'-P energy: -87.179
tors. eta vs tors. theta energy: -168.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1870.220609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.220609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.220609 (E_RNA)
where:
Base-Base interactions energy: -1257.579
where: short stacking energy: -546.961
Base-Backbone interact. energy: -1.502
local terms energy: -611.139860
where:
bonds (distance) C4'-P energy: -122.818
bonds (distance) P-C4' energy: -122.844
flat angles C4'-P-C4' energy: -129.741
flat angles P-C4'-P energy: -79.107
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: 3, replica: 7
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1805.239776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.239776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.239776 (E_RNA)
where:
Base-Base interactions energy: -1238.962
where: short stacking energy: -524.291
Base-Backbone interact. energy: -3.056
local terms energy: -563.221551
where:
bonds (distance) C4'-P energy: -111.359
bonds (distance) P-C4' energy: -100.367
flat angles C4'-P-C4' energy: -129.682
flat angles P-C4'-P energy: -80.581
tors. eta vs tors. theta energy: -141.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -1661.559301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.559301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.559301 (E_RNA)
where:
Base-Base interactions energy: -1092.864
where: short stacking energy: -472.406
Base-Backbone interact. energy: -2.988
local terms energy: -565.707005
where:
bonds (distance) C4'-P energy: -112.947
bonds (distance) P-C4' energy: -116.699
flat angles C4'-P-C4' energy: -117.610
flat angles P-C4'-P energy: -82.890
tors. eta vs tors. theta energy: -135.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -1535.976123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.976123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.976123 (E_RNA)
where:
Base-Base interactions energy: -1016.856
where: short stacking energy: -452.423
Base-Backbone interact. energy: 0.352
local terms energy: -519.472145
where:
bonds (distance) C4'-P energy: -106.391
bonds (distance) P-C4' energy: -115.006
flat angles C4'-P-C4' energy: -122.315
flat angles P-C4'-P energy: -55.019
tors. eta vs tors. theta energy: -120.740
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: 6, replica: 3
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1374.658420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.658420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.658420 (E_RNA)
where:
Base-Base interactions energy: -863.749
where: short stacking energy: -411.197
Base-Backbone interact. energy: -1.727
local terms energy: -509.182574
where:
bonds (distance) C4'-P energy: -102.799
bonds (distance) P-C4' energy: -113.956
flat angles C4'-P-C4' energy: -111.357
flat angles P-C4'-P energy: -78.595
tors. eta vs tors. theta energy: -102.475
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: 10
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -1250.932021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.932021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.932021 (E_RNA)
where:
Base-Base interactions energy: -802.983
where: short stacking energy: -361.209
Base-Backbone interact. energy: -1.475
local terms energy: -446.474792
where:
bonds (distance) C4'-P energy: -103.861
bonds (distance) P-C4' energy: -101.368
flat angles C4'-P-C4' energy: -110.136
flat angles P-C4'-P energy: -64.371
tors. eta vs tors. theta energy: -66.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -1146.439134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.439134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.439134 (E_RNA)
where:
Base-Base interactions energy: -709.951
where: short stacking energy: -324.631
Base-Backbone interact. energy: 3.285
local terms energy: -439.773093
where:
bonds (distance) C4'-P energy: -88.382
bonds (distance) P-C4' energy: -106.623
flat angles C4'-P-C4' energy: -110.133
flat angles P-C4'-P energy: -64.066
tors. eta vs tors. theta energy: -70.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -874.341991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.341991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.341991 (E_RNA)
where:
Base-Base interactions energy: -547.998
where: short stacking energy: -245.393
Base-Backbone interact. energy: 0.697
local terms energy: -327.040535
where:
bonds (distance) C4'-P energy: -91.402
bonds (distance) P-C4' energy: -78.929
flat angles C4'-P-C4' energy: -86.271
flat angles P-C4'-P energy: -42.437
tors. eta vs tors. theta energy: -28.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -724.405245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.405245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.405245 (E_RNA)
where:
Base-Base interactions energy: -381.695
where: short stacking energy: -197.970
Base-Backbone interact. energy: 1.445
local terms energy: -344.154458
where:
bonds (distance) C4'-P energy: -82.894
bonds (distance) P-C4' energy: -88.093
flat angles C4'-P-C4' energy: -98.618
flat angles P-C4'-P energy: -52.926
tors. eta vs tors. theta energy: -21.624
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: 1, replica: 9
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1985.125511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.125511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.125511 (E_RNA)
where:
Base-Base interactions energy: -1331.429
where: short stacking energy: -542.066
Base-Backbone interact. energy: -3.392
local terms energy: -650.304089
where:
bonds (distance) C4'-P energy: -119.141
bonds (distance) P-C4' energy: -121.959
flat angles C4'-P-C4' energy: -145.557
flat angles P-C4'-P energy: -90.572
tors. eta vs tors. theta energy: -173.075
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: 107
Temperature: 0.950000
Total energy: -1891.957622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.957622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.957622 (E_RNA)
where:
Base-Base interactions energy: -1293.202
where: short stacking energy: -555.870
Base-Backbone interact. energy: -0.534
local terms energy: -598.221146
where:
bonds (distance) C4'-P energy: -108.102
bonds (distance) P-C4' energy: -110.600
flat angles C4'-P-C4' energy: -126.958
flat angles P-C4'-P energy: -85.555
tors. eta vs tors. theta energy: -167.006
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: 3, replica: 7
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -1828.493160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.493160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.493160 (E_RNA)
where:
Base-Base interactions energy: -1265.988
where: short stacking energy: -525.686
Base-Backbone interact. energy: -2.923
local terms energy: -559.581480
where:
bonds (distance) C4'-P energy: -114.775
bonds (distance) P-C4' energy: -114.463
flat angles C4'-P-C4' energy: -108.548
flat angles P-C4'-P energy: -77.448
tors. eta vs tors. theta energy: -144.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -1688.731376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.731376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.731376 (E_RNA)
where:
Base-Base interactions energy: -1136.079
where: short stacking energy: -502.490
Base-Backbone interact. energy: -2.047
local terms energy: -550.605552
where:
bonds (distance) C4'-P energy: -117.056
bonds (distance) P-C4' energy: -104.627
flat angles C4'-P-C4' energy: -118.821
flat angles P-C4'-P energy: -79.784
tors. eta vs tors. theta energy: -130.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1556.433923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.433923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.433923 (E_RNA)
where:
Base-Base interactions energy: -1037.118
where: short stacking energy: -441.145
Base-Backbone interact. energy: 1.194
local terms energy: -520.510268
where:
bonds (distance) C4'-P energy: -99.269
bonds (distance) P-C4' energy: -110.751
flat angles C4'-P-C4' energy: -115.108
flat angles P-C4'-P energy: -80.548
tors. eta vs tors. theta energy: -114.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1370.028261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.028261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.028261 (E_RNA)
where:
Base-Base interactions energy: -876.522
where: short stacking energy: -402.319
Base-Backbone interact. energy: -0.028
local terms energy: -493.477917
where:
bonds (distance) C4'-P energy: -75.268
bonds (distance) P-C4' energy: -115.405
flat angles C4'-P-C4' energy: -116.305
flat angles P-C4'-P energy: -85.861
tors. eta vs tors. theta energy: -100.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -1214.292663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.292663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.292663 (E_RNA)
where:
Base-Base interactions energy: -741.651
where: short stacking energy: -338.095
Base-Backbone interact. energy: -1.591
local terms energy: -471.050870
where:
bonds (distance) C4'-P energy: -110.718
bonds (distance) P-C4' energy: -117.051
flat angles C4'-P-C4' energy: -108.354
flat angles P-C4'-P energy: -48.046
tors. eta vs tors. theta energy: -86.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -1095.265173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.265173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.265173 (E_RNA)
where:
Base-Base interactions energy: -696.520
where: short stacking energy: -308.332
Base-Backbone interact. energy: 1.210
local terms energy: -399.955156
where:
bonds (distance) C4'-P energy: -96.859
bonds (distance) P-C4' energy: -101.799
flat angles C4'-P-C4' energy: -86.397
flat angles P-C4'-P energy: -59.690
tors. eta vs tors. theta energy: -55.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -882.439520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.439520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.439520 (E_RNA)
where:
Base-Base interactions energy: -516.276
where: short stacking energy: -238.633
Base-Backbone interact. energy: -1.096
local terms energy: -365.067740
where:
bonds (distance) C4'-P energy: -98.790
bonds (distance) P-C4' energy: -85.039
flat angles C4'-P-C4' energy: -96.182
flat angles P-C4'-P energy: -49.442
tors. eta vs tors. theta energy: -35.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -689.192294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.192294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.192294 (E_RNA)
where:
Base-Base interactions energy: -389.147
where: short stacking energy: -191.617
Base-Backbone interact. energy: -0.171
local terms energy: -299.873954
where:
bonds (distance) C4'-P energy: -74.961
bonds (distance) P-C4' energy: -94.197
flat angles C4'-P-C4' energy: -77.092
flat angles P-C4'-P energy: -49.692
tors. eta vs tors. theta energy: -3.932
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: 9
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1967.161305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.161305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.161305 (E_RNA)
where:
Base-Base interactions energy: -1354.746
where: short stacking energy: -559.840
Base-Backbone interact. energy: -2.192
local terms energy: -610.223301
where:
bonds (distance) C4'-P energy: -103.376
bonds (distance) P-C4' energy: -115.613
flat angles C4'-P-C4' energy: -141.689
flat angles P-C4'-P energy: -86.859
tors. eta vs tors. theta energy: -162.686
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: 4
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1867.949969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.949969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.949969 (E_RNA)
where:
Base-Base interactions energy: -1273.356
where: short stacking energy: -540.228
Base-Backbone interact. energy: -2.405
local terms energy: -592.189106
where:
bonds (distance) C4'-P energy: -109.320
bonds (distance) P-C4' energy: -113.822
flat angles C4'-P-C4' energy: -129.801
flat angles P-C4'-P energy: -84.154
tors. eta vs tors. theta energy: -155.092
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: 3, replica: 7
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1778.261561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.261561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.261561 (E_RNA)
where:
Base-Base interactions energy: -1223.755
where: short stacking energy: -503.997
Base-Backbone interact. energy: -2.727
local terms energy: -551.779576
where:
bonds (distance) C4'-P energy: -105.884
bonds (distance) P-C4' energy: -112.384
flat angles C4'-P-C4' energy: -111.792
flat angles P-C4'-P energy: -79.992
tors. eta vs tors. theta energy: -141.727
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: 4, replica: 1
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -1634.158140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.158140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.158140 (E_RNA)
where:
Base-Base interactions energy: -1092.370
where: short stacking energy: -462.933
Base-Backbone interact. energy: -0.351
local terms energy: -541.437228
where:
bonds (distance) C4'-P energy: -99.884
bonds (distance) P-C4' energy: -108.154
flat angles C4'-P-C4' energy: -130.659
flat angles P-C4'-P energy: -67.078
tors. eta vs tors. theta energy: -135.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1494.658045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.658045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.658045 (E_RNA)
where:
Base-Base interactions energy: -1009.216
where: short stacking energy: -417.496
Base-Backbone interact. energy: -2.181
local terms energy: -483.261381
where:
bonds (distance) C4'-P energy: -83.316
bonds (distance) P-C4' energy: -114.079
flat angles C4'-P-C4' energy: -112.948
flat angles P-C4'-P energy: -66.976
tors. eta vs tors. theta energy: -105.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1388.527231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.527231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.527231 (E_RNA)
where:
Base-Base interactions energy: -869.070
where: short stacking energy: -388.675
Base-Backbone interact. energy: -0.460
local terms energy: -518.997743
where:
bonds (distance) C4'-P energy: -116.667
bonds (distance) P-C4' energy: -105.600
flat angles C4'-P-C4' energy: -111.318
flat angles P-C4'-P energy: -80.299
tors. eta vs tors. theta energy: -105.113
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: 10
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -1228.310347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.310347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.310347 (E_RNA)
where:
Base-Base interactions energy: -773.881
where: short stacking energy: -358.550
Base-Backbone interact. energy: 0.989
local terms energy: -455.418393
where:
bonds (distance) C4'-P energy: -97.237
bonds (distance) P-C4' energy: -101.330
flat angles C4'-P-C4' energy: -107.107
flat angles P-C4'-P energy: -63.397
tors. eta vs tors. theta energy: -86.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -1054.311254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.311254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.311254 (E_RNA)
where:
Base-Base interactions energy: -648.402
where: short stacking energy: -308.900
Base-Backbone interact. energy: 1.155
local terms energy: -407.064593
where:
bonds (distance) C4'-P energy: -97.023
bonds (distance) P-C4' energy: -109.090
flat angles C4'-P-C4' energy: -83.934
flat angles P-C4'-P energy: -55.372
tors. eta vs tors. theta energy: -61.646
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: 8
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -905.311524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.311524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.311524 (E_RNA)
where:
Base-Base interactions energy: -543.049
where: short stacking energy: -252.575
Base-Backbone interact. energy: 8.092
local terms energy: -370.354213
where:
bonds (distance) C4'-P energy: -106.052
bonds (distance) P-C4' energy: -111.360
flat angles C4'-P-C4' energy: -74.839
flat angles P-C4'-P energy: -45.923
tors. eta vs tors. theta energy: -32.181
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: 5
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -701.090647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.090647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.090647 (E_RNA)
where:
Base-Base interactions energy: -348.156
where: short stacking energy: -161.523
Base-Backbone interact. energy: 6.988
local terms energy: -359.922243
where:
bonds (distance) C4'-P energy: -94.840
bonds (distance) P-C4' energy: -102.244
flat angles C4'-P-C4' energy: -95.872
flat angles P-C4'-P energy: -57.187
tors. eta vs tors. theta energy: -9.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1967.832909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.832909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.832909 (E_RNA)
where:
Base-Base interactions energy: -1346.080
where: short stacking energy: -561.391
Base-Backbone interact. energy: -0.745
local terms energy: -621.007885
where:
bonds (distance) C4'-P energy: -112.921
bonds (distance) P-C4' energy: -119.690
flat angles C4'-P-C4' energy: -141.993
flat angles P-C4'-P energy: -87.476
tors. eta vs tors. theta energy: -158.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1864.016942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.016942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.016942 (E_RNA)
where:
Base-Base interactions energy: -1268.095
where: short stacking energy: -568.655
Base-Backbone interact. energy: 2.326
local terms energy: -598.247677
where:
bonds (distance) C4'-P energy: -117.575
bonds (distance) P-C4' energy: -102.936
flat angles C4'-P-C4' energy: -139.338
flat angles P-C4'-P energy: -87.432
tors. eta vs tors. theta energy: -150.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1786.163814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.163814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.163814 (E_RNA)
where:
Base-Base interactions energy: -1205.961
where: short stacking energy: -533.595
Base-Backbone interact. energy: -4.546
local terms energy: -575.657385
where:
bonds (distance) C4'-P energy: -108.333
bonds (distance) P-C4' energy: -104.210
flat angles C4'-P-C4' energy: -131.914
flat angles P-C4'-P energy: -76.232
tors. eta vs tors. theta energy: -154.968
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: 1
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1652.676599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.676599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.676599 (E_RNA)
where:
Base-Base interactions energy: -1120.806
where: short stacking energy: -507.227
Base-Backbone interact. energy: -0.841
local terms energy: -531.029733
where:
bonds (distance) C4'-P energy: -96.465
bonds (distance) P-C4' energy: -110.317
flat angles C4'-P-C4' energy: -123.120
flat angles P-C4'-P energy: -55.440
tors. eta vs tors. theta energy: -145.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1548.113353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.113353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.113353 (E_RNA)
where:
Base-Base interactions energy: -1034.601
where: short stacking energy: -465.343
Base-Backbone interact. energy: -1.079
local terms energy: -512.432791
where:
bonds (distance) C4'-P energy: -101.068
bonds (distance) P-C4' energy: -100.107
flat angles C4'-P-C4' energy: -116.340
flat angles P-C4'-P energy: -69.788
tors. eta vs tors. theta energy: -125.130
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: 6, replica: 3
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1358.646741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.646741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.646741 (E_RNA)
where:
Base-Base interactions energy: -873.012
where: short stacking energy: -400.504
Base-Backbone interact. energy: -0.819
local terms energy: -484.815493
where:
bonds (distance) C4'-P energy: -105.463
bonds (distance) P-C4' energy: -113.768
flat angles C4'-P-C4' energy: -103.092
flat angles P-C4'-P energy: -69.599
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: 7, replica: 10
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -1222.066052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.066052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.066052 (E_RNA)
where:
Base-Base interactions energy: -766.414
where: short stacking energy: -349.634
Base-Backbone interact. energy: 3.266
local terms energy: -458.917997
where:
bonds (distance) C4'-P energy: -87.411
bonds (distance) P-C4' energy: -111.244
flat angles C4'-P-C4' energy: -107.696
flat angles P-C4'-P energy: -63.189
tors. eta vs tors. theta energy: -89.378
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: 2
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -1067.619874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.619874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.619874 (E_RNA)
where:
Base-Base interactions energy: -658.692
where: short stacking energy: -317.462
Base-Backbone interact. energy: -4.678
local terms energy: -404.249951
where:
bonds (distance) C4'-P energy: -92.219
bonds (distance) P-C4' energy: -99.009
flat angles C4'-P-C4' energy: -98.718
flat angles P-C4'-P energy: -60.378
tors. eta vs tors. theta energy: -53.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -897.306503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.306503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.306503 (E_RNA)
where:
Base-Base interactions energy: -536.948
where: short stacking energy: -239.164
Base-Backbone interact. energy: 1.675
local terms energy: -362.033633
where:
bonds (distance) C4'-P energy: -99.812
bonds (distance) P-C4' energy: -97.462
flat angles C4'-P-C4' energy: -86.003
flat angles P-C4'-P energy: -57.344
tors. eta vs tors. theta energy: -21.414
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: 5
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -661.210614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.210614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.210614 (E_RNA)
where:
Base-Base interactions energy: -353.563
where: short stacking energy: -176.881
Base-Backbone interact. energy: -3.089
local terms energy: -304.558325
where:
bonds (distance) C4'-P energy: -78.088
bonds (distance) P-C4' energy: -92.295
flat angles C4'-P-C4' energy: -86.234
flat angles P-C4'-P energy: -52.342
tors. eta vs tors. theta energy: 4.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1971.505794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.505794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.505794 (E_RNA)
where:
Base-Base interactions energy: -1355.896
where: short stacking energy: -559.532
Base-Backbone interact. energy: -0.786
local terms energy: -614.823784
where:
bonds (distance) C4'-P energy: -117.336
bonds (distance) P-C4' energy: -121.350
flat angles C4'-P-C4' energy: -128.793
flat angles P-C4'-P energy: -86.135
tors. eta vs tors. theta energy: -161.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1892.713661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.713661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.713661 (E_RNA)
where:
Base-Base interactions energy: -1296.003
where: short stacking energy: -560.784
Base-Backbone interact. energy: -1.913
local terms energy: -594.796943
where:
bonds (distance) C4'-P energy: -96.871
bonds (distance) P-C4' energy: -114.564
flat angles C4'-P-C4' energy: -132.499
flat angles P-C4'-P energy: -86.394
tors. eta vs tors. theta energy: -164.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1794.355509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.355509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.355509 (E_RNA)
where:
Base-Base interactions energy: -1216.048
where: short stacking energy: -508.655
Base-Backbone interact. energy: -7.996
local terms energy: -570.311436
where:
bonds (distance) C4'-P energy: -106.008
bonds (distance) P-C4' energy: -109.847
flat angles C4'-P-C4' energy: -121.024
flat angles P-C4'-P energy: -92.508
tors. eta vs tors. theta energy: -140.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -1646.951089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.951089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.951089 (E_RNA)
where:
Base-Base interactions energy: -1085.178
where: short stacking energy: -467.843
Base-Backbone interact. energy: -1.349
local terms energy: -560.423980
where:
bonds (distance) C4'-P energy: -113.211
bonds (distance) P-C4' energy: -122.614
flat angles C4'-P-C4' energy: -113.203
flat angles P-C4'-P energy: -78.950
tors. eta vs tors. theta energy: -132.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1560.195571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.195571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.195571 (E_RNA)
where:
Base-Base interactions energy: -1025.469
where: short stacking energy: -469.259
Base-Backbone interact. energy: -2.179
local terms energy: -532.547059
where:
bonds (distance) C4'-P energy: -103.201
bonds (distance) P-C4' energy: -112.924
flat angles C4'-P-C4' energy: -125.657
flat angles P-C4'-P energy: -75.515
tors. eta vs tors. theta energy: -115.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1366.823419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.823419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.823419 (E_RNA)
where:
Base-Base interactions energy: -864.136
where: short stacking energy: -399.711
Base-Backbone interact. energy: -0.533
local terms energy: -502.154161
where:
bonds (distance) C4'-P energy: -100.062
bonds (distance) P-C4' energy: -106.766
flat angles C4'-P-C4' energy: -120.141
flat angles P-C4'-P energy: -67.288
tors. eta vs tors. theta energy: -107.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -1262.776625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.776625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.776625 (E_RNA)
where:
Base-Base interactions energy: -787.044
where: short stacking energy: -376.934
Base-Backbone interact. energy: -2.686
local terms energy: -473.046436
where:
bonds (distance) C4'-P energy: -99.801
bonds (distance) P-C4' energy: -116.023
flat angles C4'-P-C4' energy: -108.435
flat angles P-C4'-P energy: -60.265
tors. eta vs tors. theta energy: -88.522
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: 2
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -1055.714152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.714152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.714152 (E_RNA)
where:
Base-Base interactions energy: -639.207
where: short stacking energy: -297.000
Base-Backbone interact. energy: 1.583
local terms energy: -418.090468
where:
bonds (distance) C4'-P energy: -100.771
bonds (distance) P-C4' energy: -89.534
flat angles C4'-P-C4' energy: -108.511
flat angles P-C4'-P energy: -59.846
tors. eta vs tors. theta energy: -59.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -881.455232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.455232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.455232 (E_RNA)
where:
Base-Base interactions energy: -509.675
where: short stacking energy: -230.520
Base-Backbone interact. energy: 0.899
local terms energy: -372.679234
where:
bonds (distance) C4'-P energy: -96.940
bonds (distance) P-C4' energy: -101.624
flat angles C4'-P-C4' energy: -98.138
flat angles P-C4'-P energy: -41.968
tors. eta vs tors. theta energy: -34.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -691.941821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.941821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.941821 (E_RNA)
where:
Base-Base interactions energy: -353.250
where: short stacking energy: -163.815
Base-Backbone interact. energy: -3.134
local terms energy: -335.557790
where:
bonds (distance) C4'-P energy: -97.068
bonds (distance) P-C4' energy: -93.320
flat angles C4'-P-C4' energy: -93.966
flat angles P-C4'-P energy: -48.244
tors. eta vs tors. theta energy: -2.959
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: 9
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1967.176404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.176404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.176404 (E_RNA)
where:
Base-Base interactions energy: -1324.245
where: short stacking energy: -554.833
Base-Backbone interact. energy: -3.234
local terms energy: -639.697990
where:
bonds (distance) C4'-P energy: -128.604
bonds (distance) P-C4' energy: -121.108
flat angles C4'-P-C4' energy: -130.831
flat angles P-C4'-P energy: -98.090
tors. eta vs tors. theta energy: -161.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1930.180271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.180271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.180271 (E_RNA)
where:
Base-Base interactions energy: -1307.150
where: short stacking energy: -580.164
Base-Backbone interact. energy: -2.045
local terms energy: -620.984505
where:
bonds (distance) C4'-P energy: -115.038
bonds (distance) P-C4' energy: -118.162
flat angles C4'-P-C4' energy: -129.624
flat angles P-C4'-P energy: -85.972
tors. eta vs tors. theta energy: -172.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1786.089301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.089301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.089301 (E_RNA)
where:
Base-Base interactions energy: -1238.090
where: short stacking energy: -521.791
Base-Backbone interact. energy: -1.952
local terms energy: -546.047279
where:
bonds (distance) C4'-P energy: -102.863
bonds (distance) P-C4' energy: -106.521
flat angles C4'-P-C4' energy: -122.923
flat angles P-C4'-P energy: -81.106
tors. eta vs tors. theta energy: -132.634
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: 1
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -1698.924854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.924854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.924854 (E_RNA)
where:
Base-Base interactions energy: -1137.474
where: short stacking energy: -478.257
Base-Backbone interact. energy: -1.946
local terms energy: -559.505243
where:
bonds (distance) C4'-P energy: -101.261
bonds (distance) P-C4' energy: -114.617
flat angles C4'-P-C4' energy: -122.869
flat angles P-C4'-P energy: -83.679
tors. eta vs tors. theta energy: -137.080
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: 111
Temperature: 1.100000
Total energy: -1504.350947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.350947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.350947 (E_RNA)
where:
Base-Base interactions energy: -999.962
where: short stacking energy: -446.316
Base-Backbone interact. energy: -2.572
local terms energy: -501.816812
where:
bonds (distance) C4'-P energy: -108.482
bonds (distance) P-C4' energy: -89.092
flat angles C4'-P-C4' energy: -122.485
flat angles P-C4'-P energy: -61.628
tors. eta vs tors. theta energy: -120.129
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: 3
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1339.670382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.670382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.670382 (E_RNA)
where:
Base-Base interactions energy: -860.275
where: short stacking energy: -377.630
Base-Backbone interact. energy: -4.114
local terms energy: -475.280861
where:
bonds (distance) C4'-P energy: -105.898
bonds (distance) P-C4' energy: -93.366
flat angles C4'-P-C4' energy: -100.384
flat angles P-C4'-P energy: -76.825
tors. eta vs tors. theta energy: -98.808
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: 10
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -1245.366965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.366965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.366965 (E_RNA)
where:
Base-Base interactions energy: -803.899
where: short stacking energy: -369.268
Base-Backbone interact. energy: -0.614
local terms energy: -440.853931
where:
bonds (distance) C4'-P energy: -115.227
bonds (distance) P-C4' energy: -105.216
flat angles C4'-P-C4' energy: -88.663
flat angles P-C4'-P energy: -58.009
tors. eta vs tors. theta energy: -73.739
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: 2
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -1008.058928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.058928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.058928 (E_RNA)
where:
Base-Base interactions energy: -595.645
where: short stacking energy: -289.875
Base-Backbone interact. energy: -2.006
local terms energy: -410.407680
where:
bonds (distance) C4'-P energy: -102.010
bonds (distance) P-C4' energy: -89.654
flat angles C4'-P-C4' energy: -102.858
flat angles P-C4'-P energy: -71.177
tors. eta vs tors. theta energy: -44.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -872.580948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.580948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.580948 (E_RNA)
where:
Base-Base interactions energy: -502.684
where: short stacking energy: -231.423
Base-Backbone interact. energy: 0.912
local terms energy: -370.808738
where:
bonds (distance) C4'-P energy: -97.118
bonds (distance) P-C4' energy: -106.985
flat angles C4'-P-C4' energy: -84.953
flat angles P-C4'-P energy: -56.344
tors. eta vs tors. theta energy: -25.409
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: 5
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -706.313936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.313936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.313936 (E_RNA)
where:
Base-Base interactions energy: -367.150
where: short stacking energy: -185.227
Base-Backbone interact. energy: 1.448
local terms energy: -340.612205
where:
bonds (distance) C4'-P energy: -89.947
bonds (distance) P-C4' energy: -77.896
flat angles C4'-P-C4' energy: -101.410
flat angles P-C4'-P energy: -60.186
tors. eta vs tors. theta energy: -11.173
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: 9
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1963.664399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.664399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.664399 (E_RNA)
where:
Base-Base interactions energy: -1373.614
where: short stacking energy: -533.445
Base-Backbone interact. energy: -2.925
local terms energy: -587.124606
where:
bonds (distance) C4'-P energy: -114.038
bonds (distance) P-C4' energy: -104.517
flat angles C4'-P-C4' energy: -128.532
flat angles P-C4'-P energy: -88.572
tors. eta vs tors. theta energy: -151.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1886.810268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.810268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.810268 (E_RNA)
where:
Base-Base interactions energy: -1279.907
where: short stacking energy: -568.885
Base-Backbone interact. energy: 3.324
local terms energy: -610.227427
where:
bonds (distance) C4'-P energy: -117.033
bonds (distance) P-C4' energy: -107.717
flat angles C4'-P-C4' energy: -137.207
flat angles P-C4'-P energy: -77.283
tors. eta vs tors. theta energy: -170.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1734.627739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.627739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.627739 (E_RNA)
where:
Base-Base interactions energy: -1158.964
where: short stacking energy: -511.410
Base-Backbone interact. energy: -1.047
local terms energy: -574.616717
where:
bonds (distance) C4'-P energy: -110.907
bonds (distance) P-C4' energy: -107.338
flat angles C4'-P-C4' energy: -115.513
flat angles P-C4'-P energy: -85.339
tors. eta vs tors. theta energy: -155.520
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: 4, replica: 7
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1726.624283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.624283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.624283 (E_RNA)
where:
Base-Base interactions energy: -1201.658
where: short stacking energy: -486.656
Base-Backbone interact. energy: -1.338
local terms energy: -523.628154
where:
bonds (distance) C4'-P energy: -88.626
bonds (distance) P-C4' energy: -105.298
flat angles C4'-P-C4' energy: -125.226
flat angles P-C4'-P energy: -76.042
tors. eta vs tors. theta energy: -128.435
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: 5, replica: 6
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1580.435734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.435734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.435734 (E_RNA)
where:
Base-Base interactions energy: -1054.343
where: short stacking energy: -471.761
Base-Backbone interact. energy: -2.377
local terms energy: -523.715825
where:
bonds (distance) C4'-P energy: -88.594
bonds (distance) P-C4' energy: -121.727
flat angles C4'-P-C4' energy: -110.835
flat angles P-C4'-P energy: -68.851
tors. eta vs tors. theta energy: -133.709
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: 6, replica: 3
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1363.542654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.542654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.542654 (E_RNA)
where:
Base-Base interactions energy: -872.810
where: short stacking energy: -390.222
Base-Backbone interact. energy: -1.307
local terms energy: -489.425829
where:
bonds (distance) C4'-P energy: -97.743
bonds (distance) P-C4' energy: -103.006
flat angles C4'-P-C4' energy: -116.097
flat angles P-C4'-P energy: -74.907
tors. eta vs tors. theta energy: -97.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1252.787383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.787383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.787383 (E_RNA)
where:
Base-Base interactions energy: -795.931
where: short stacking energy: -369.323
Base-Backbone interact. energy: -0.129
local terms energy: -456.727361
where:
bonds (distance) C4'-P energy: -90.443
bonds (distance) P-C4' energy: -115.463
flat angles C4'-P-C4' energy: -106.991
flat angles P-C4'-P energy: -69.105
tors. eta vs tors. theta energy: -74.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -1070.320166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.320166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.320166 (E_RNA)
where:
Base-Base interactions energy: -660.111
where: short stacking energy: -317.109
Base-Backbone interact. energy: -0.841
local terms energy: -409.368305
where:
bonds (distance) C4'-P energy: -103.968
bonds (distance) P-C4' energy: -93.135
flat angles C4'-P-C4' energy: -96.133
flat angles P-C4'-P energy: -62.981
tors. eta vs tors. theta energy: -53.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -911.135897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.135897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.135897 (E_RNA)
where:
Base-Base interactions energy: -545.247
where: short stacking energy: -270.952
Base-Backbone interact. energy: 1.432
local terms energy: -367.321746
where:
bonds (distance) C4'-P energy: -89.722
bonds (distance) P-C4' energy: -96.002
flat angles C4'-P-C4' energy: -95.007
flat angles P-C4'-P energy: -45.601
tors. eta vs tors. theta energy: -40.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -681.064811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.064811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.064811 (E_RNA)
where:
Base-Base interactions energy: -349.720
where: short stacking energy: -183.389
Base-Backbone interact. energy: 0.113
local terms energy: -331.457554
where:
bonds (distance) C4'-P energy: -90.489
bonds (distance) P-C4' energy: -94.157
flat angles C4'-P-C4' energy: -73.248
flat angles P-C4'-P energy: -57.214
tors. eta vs tors. theta energy: -16.349
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: 9
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1975.003593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.003593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.003593 (E_RNA)
where:
Base-Base interactions energy: -1340.049
where: short stacking energy: -561.269
Base-Backbone interact. energy: -4.878
local terms energy: -630.076738
where:
bonds (distance) C4'-P energy: -127.153
bonds (distance) P-C4' energy: -127.365
flat angles C4'-P-C4' energy: -129.781
flat angles P-C4'-P energy: -86.505
tors. eta vs tors. theta energy: -159.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1934.363797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.363797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.363797 (E_RNA)
where:
Base-Base interactions energy: -1310.223
where: short stacking energy: -567.400
Base-Backbone interact. energy: -1.245
local terms energy: -622.896585
where:
bonds (distance) C4'-P energy: -116.665
bonds (distance) P-C4' energy: -114.181
flat angles C4'-P-C4' energy: -134.798
flat angles P-C4'-P energy: -92.376
tors. eta vs tors. theta energy: -164.876
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: 3, replica: 1
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -1755.372711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.372711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.372711 (E_RNA)
where:
Base-Base interactions energy: -1187.174
where: short stacking energy: -489.834
Base-Backbone interact. energy: 0.247
local terms energy: -568.445504
where:
bonds (distance) C4'-P energy: -93.473
bonds (distance) P-C4' energy: -120.712
flat angles C4'-P-C4' energy: -124.510
flat angles P-C4'-P energy: -84.917
tors. eta vs tors. theta energy: -144.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -1646.993963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.993963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.993963 (E_RNA)
where:
Base-Base interactions energy: -1096.379
where: short stacking energy: -448.928
Base-Backbone interact. energy: -1.774
local terms energy: -548.840085
where:
bonds (distance) C4'-P energy: -110.927
bonds (distance) P-C4' energy: -103.631
flat angles C4'-P-C4' energy: -119.907
flat angles P-C4'-P energy: -87.002
tors. eta vs tors. theta energy: -127.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1548.071609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.071609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.071609 (E_RNA)
where:
Base-Base interactions energy: -1002.728
where: short stacking energy: -455.596
Base-Backbone interact. energy: -0.883
local terms energy: -544.461166
where:
bonds (distance) C4'-P energy: -114.179
bonds (distance) P-C4' energy: -118.120
flat angles C4'-P-C4' energy: -101.499
flat angles P-C4'-P energy: -72.860
tors. eta vs tors. theta energy: -137.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1328.756460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.756460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.756460 (E_RNA)
where:
Base-Base interactions energy: -839.980
where: short stacking energy: -384.437
Base-Backbone interact. energy: -0.900
local terms energy: -487.877061
where:
bonds (distance) C4'-P energy: -103.894
bonds (distance) P-C4' energy: -105.742
flat angles C4'-P-C4' energy: -107.780
flat angles P-C4'-P energy: -82.244
tors. eta vs tors. theta energy: -88.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1219.444869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.444869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.444869 (E_RNA)
where:
Base-Base interactions energy: -773.884
where: short stacking energy: -363.531
Base-Backbone interact. energy: -0.930
local terms energy: -444.630785
where:
bonds (distance) C4'-P energy: -77.940
bonds (distance) P-C4' energy: -114.455
flat angles C4'-P-C4' energy: -99.900
flat angles P-C4'-P energy: -69.115
tors. eta vs tors. theta energy: -83.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -1005.036361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.036361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.036361 (E_RNA)
where:
Base-Base interactions energy: -615.306
where: short stacking energy: -295.021
Base-Backbone interact. energy: 3.207
local terms energy: -392.937831
where:
bonds (distance) C4'-P energy: -100.528
bonds (distance) P-C4' energy: -98.848
flat angles C4'-P-C4' energy: -90.193
flat angles P-C4'-P energy: -62.567
tors. eta vs tors. theta energy: -40.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -881.315781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.315781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.315781 (E_RNA)
where:
Base-Base interactions energy: -511.188
where: short stacking energy: -236.897
Base-Backbone interact. energy: -0.578
local terms energy: -369.550354
where:
bonds (distance) C4'-P energy: -90.818
bonds (distance) P-C4' energy: -95.316
flat angles C4'-P-C4' energy: -93.513
flat angles P-C4'-P energy: -51.412
tors. eta vs tors. theta energy: -38.490
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: 5
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -649.805137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.805137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.805137 (E_RNA)
where:
Base-Base interactions energy: -295.089
where: short stacking energy: -153.104
Base-Backbone interact. energy: 3.677
local terms energy: -358.393062
where:
bonds (distance) C4'-P energy: -103.199
bonds (distance) P-C4' energy: -105.017
flat angles C4'-P-C4' energy: -88.004
flat angles P-C4'-P energy: -53.082
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: 9
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1972.909450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.909450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.909450 (E_RNA)
where:
Base-Base interactions energy: -1348.027
where: short stacking energy: -551.853
Base-Backbone interact. energy: -6.276
local terms energy: -618.606167
where:
bonds (distance) C4'-P energy: -117.761
bonds (distance) P-C4' energy: -117.499
flat angles C4'-P-C4' energy: -132.104
flat angles P-C4'-P energy: -89.086
tors. eta vs tors. theta energy: -162.157
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: 114
Temperature: 0.950000
Total energy: -1868.557740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.557740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.557740 (E_RNA)
where:
Base-Base interactions energy: -1285.169
where: short stacking energy: -557.498
Base-Backbone interact. energy: 2.230
local terms energy: -585.617888
where:
bonds (distance) C4'-P energy: -109.908
bonds (distance) P-C4' energy: -109.423
flat angles C4'-P-C4' energy: -125.737
flat angles P-C4'-P energy: -81.262
tors. eta vs tors. theta energy: -159.287
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: 1
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -1752.658901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.658901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.658901 (E_RNA)
where:
Base-Base interactions energy: -1153.808
where: short stacking energy: -498.881
Base-Backbone interact. energy: -2.075
local terms energy: -596.775939
where:
bonds (distance) C4'-P energy: -108.939
bonds (distance) P-C4' energy: -122.867
flat angles C4'-P-C4' energy: -124.312
flat angles P-C4'-P energy: -89.849
tors. eta vs tors. theta energy: -150.809
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: 7
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -1697.322711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.322711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.322711 (E_RNA)
where:
Base-Base interactions energy: -1157.306
where: short stacking energy: -489.026
Base-Backbone interact. energy: -2.638
local terms energy: -537.378874
where:
bonds (distance) C4'-P energy: -106.953
bonds (distance) P-C4' energy: -106.480
flat angles C4'-P-C4' energy: -117.035
flat angles P-C4'-P energy: -72.808
tors. eta vs tors. theta energy: -134.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1554.314832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.314832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.314832 (E_RNA)
where:
Base-Base interactions energy: -1029.451
where: short stacking energy: -441.800
Base-Backbone interact. energy: -1.989
local terms energy: -522.874798
where:
bonds (distance) C4'-P energy: -102.623
bonds (distance) P-C4' energy: -113.252
flat angles C4'-P-C4' energy: -107.505
flat angles P-C4'-P energy: -81.559
tors. eta vs tors. theta energy: -117.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1394.906579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.906579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.906579 (E_RNA)
where:
Base-Base interactions energy: -917.994
where: short stacking energy: -388.675
Base-Backbone interact. energy: -2.876
local terms energy: -474.037214
where:
bonds (distance) C4'-P energy: -102.074
bonds (distance) P-C4' energy: -107.804
flat angles C4'-P-C4' energy: -109.636
flat angles P-C4'-P energy: -67.793
tors. eta vs tors. theta energy: -86.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1248.018313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.018313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.018313 (E_RNA)
where:
Base-Base interactions energy: -785.303
where: short stacking energy: -356.361
Base-Backbone interact. energy: -0.628
local terms energy: -462.087729
where:
bonds (distance) C4'-P energy: -99.300
bonds (distance) P-C4' energy: -112.496
flat angles C4'-P-C4' energy: -100.585
flat angles P-C4'-P energy: -75.770
tors. eta vs tors. theta energy: -73.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -995.420371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.420371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.420371 (E_RNA)
where:
Base-Base interactions energy: -582.306
where: short stacking energy: -279.185
Base-Backbone interact. energy: -2.580
local terms energy: -410.534384
where:
bonds (distance) C4'-P energy: -98.793
bonds (distance) P-C4' energy: -94.354
flat angles C4'-P-C4' energy: -107.920
flat angles P-C4'-P energy: -64.953
tors. eta vs tors. theta energy: -44.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -940.847213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.847213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.847213 (E_RNA)
where:
Base-Base interactions energy: -584.921
where: short stacking energy: -243.250
Base-Backbone interact. energy: -0.778
local terms energy: -355.147616
where:
bonds (distance) C4'-P energy: -99.613
bonds (distance) P-C4' energy: -85.208
flat angles C4'-P-C4' energy: -86.549
flat angles P-C4'-P energy: -53.990
tors. eta vs tors. theta energy: -29.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -727.972205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.972205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.972205 (E_RNA)
where:
Base-Base interactions energy: -381.554
where: short stacking energy: -184.720
Base-Backbone interact. energy: -2.518
local terms energy: -343.899963
where:
bonds (distance) C4'-P energy: -94.166
bonds (distance) P-C4' energy: -102.779
flat angles C4'-P-C4' energy: -99.060
flat angles P-C4'-P energy: -44.781
tors. eta vs tors. theta energy: -3.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1977.025097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.025097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.025097 (E_RNA)
where:
Base-Base interactions energy: -1358.292
where: short stacking energy: -582.839
Base-Backbone interact. energy: -2.418
local terms energy: -616.315206
where:
bonds (distance) C4'-P energy: -117.156
bonds (distance) P-C4' energy: -111.183
flat angles C4'-P-C4' energy: -141.255
flat angles P-C4'-P energy: -87.726
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: 2, replica: 4
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1895.666930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.666930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.666930 (E_RNA)
where:
Base-Base interactions energy: -1282.486
where: short stacking energy: -532.376
Base-Backbone interact. energy: 1.094
local terms energy: -614.274746
where:
bonds (distance) C4'-P energy: -118.902
bonds (distance) P-C4' energy: -119.486
flat angles C4'-P-C4' energy: -124.107
flat angles P-C4'-P energy: -95.894
tors. eta vs tors. theta energy: -155.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1721.094146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.094146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.094146 (E_RNA)
where:
Base-Base interactions energy: -1164.259
where: short stacking energy: -481.790
Base-Backbone interact. energy: 1.292
local terms energy: -558.127787
where:
bonds (distance) C4'-P energy: -102.554
bonds (distance) P-C4' energy: -110.612
flat angles C4'-P-C4' energy: -117.980
flat angles P-C4'-P energy: -88.044
tors. eta vs tors. theta energy: -138.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1688.693594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.693594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.693594 (E_RNA)
where:
Base-Base interactions energy: -1136.629
where: short stacking energy: -501.231
Base-Backbone interact. energy: 2.619
local terms energy: -554.683683
where:
bonds (distance) C4'-P energy: -115.878
bonds (distance) P-C4' energy: -102.771
flat angles C4'-P-C4' energy: -127.250
flat angles P-C4'-P energy: -74.626
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: 5, replica: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1569.314309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.314309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.314309 (E_RNA)
where:
Base-Base interactions energy: -1037.591
where: short stacking energy: -449.919
Base-Backbone interact. energy: 0.664
local terms energy: -532.387235
where:
bonds (distance) C4'-P energy: -116.840
bonds (distance) P-C4' energy: -100.323
flat angles C4'-P-C4' energy: -118.755
flat angles P-C4'-P energy: -76.389
tors. eta vs tors. theta energy: -120.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1357.998035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.998035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.998035 (E_RNA)
where:
Base-Base interactions energy: -884.877
where: short stacking energy: -405.939
Base-Backbone interact. energy: 2.480
local terms energy: -475.600974
where:
bonds (distance) C4'-P energy: -103.362
bonds (distance) P-C4' energy: -88.977
flat angles C4'-P-C4' energy: -106.551
flat angles P-C4'-P energy: -62.671
tors. eta vs tors. theta energy: -114.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1205.607023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.607023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.607023 (E_RNA)
where:
Base-Base interactions energy: -768.078
where: short stacking energy: -336.051
Base-Backbone interact. energy: 4.580
local terms energy: -442.108277
where:
bonds (distance) C4'-P energy: -92.884
bonds (distance) P-C4' energy: -105.479
flat angles C4'-P-C4' energy: -119.112
flat angles P-C4'-P energy: -61.063
tors. eta vs tors. theta energy: -63.570
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: 8
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -998.945446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.945446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.945446 (E_RNA)
where:
Base-Base interactions energy: -575.107
where: short stacking energy: -285.659
Base-Backbone interact. energy: -0.538
local terms energy: -423.300482
where:
bonds (distance) C4'-P energy: -101.360
bonds (distance) P-C4' energy: -97.103
flat angles C4'-P-C4' energy: -110.993
flat angles P-C4'-P energy: -52.915
tors. eta vs tors. theta energy: -60.929
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: 9, replica: 2
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -901.956745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.956745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.956745 (E_RNA)
where:
Base-Base interactions energy: -521.344
where: short stacking energy: -248.531
Base-Backbone interact. energy: -0.133
local terms energy: -380.479919
where:
bonds (distance) C4'-P energy: -87.550
bonds (distance) P-C4' energy: -83.009
flat angles C4'-P-C4' energy: -103.892
flat angles P-C4'-P energy: -58.507
tors. eta vs tors. theta energy: -47.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -746.024605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.024605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.024605 (E_RNA)
where:
Base-Base interactions energy: -423.576
where: short stacking energy: -214.157
Base-Backbone interact. energy: 2.526
local terms energy: -324.974510
where:
bonds (distance) C4'-P energy: -75.243
bonds (distance) P-C4' energy: -97.233
flat angles C4'-P-C4' energy: -90.294
flat angles P-C4'-P energy: -53.292
tors. eta vs tors. theta energy: -8.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1942.681818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.681818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.681818 (E_RNA)
where:
Base-Base interactions energy: -1343.977
where: short stacking energy: -552.233
Base-Backbone interact. energy: -3.109
local terms energy: -595.595545
where:
bonds (distance) C4'-P energy: -119.047
bonds (distance) P-C4' energy: -99.301
flat angles C4'-P-C4' energy: -123.221
flat angles P-C4'-P energy: -86.968
tors. eta vs tors. theta energy: -167.060
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: 116
Temperature: 0.950000
Total energy: -1911.606838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.606838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.606838 (E_RNA)
where:
Base-Base interactions energy: -1270.618
where: short stacking energy: -543.862
Base-Backbone interact. energy: -3.504
local terms energy: -637.484999
where:
bonds (distance) C4'-P energy: -125.114
bonds (distance) P-C4' energy: -120.597
flat angles C4'-P-C4' energy: -132.542
flat angles P-C4'-P energy: -92.759
tors. eta vs tors. theta energy: -166.473
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: 7
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -1737.819640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.819640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.819640 (E_RNA)
where:
Base-Base interactions energy: -1180.632
where: short stacking energy: -543.600
Base-Backbone interact. energy: -3.185
local terms energy: -554.003003
where:
bonds (distance) C4'-P energy: -97.081
bonds (distance) P-C4' energy: -109.205
flat angles C4'-P-C4' energy: -119.287
flat angles P-C4'-P energy: -79.847
tors. eta vs tors. theta energy: -148.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1698.057141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.057141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.057141 (E_RNA)
where:
Base-Base interactions energy: -1173.149
where: short stacking energy: -499.975
Base-Backbone interact. energy: 0.048
local terms energy: -524.956642
where:
bonds (distance) C4'-P energy: -92.916
bonds (distance) P-C4' energy: -105.777
flat angles C4'-P-C4' energy: -125.938
flat angles P-C4'-P energy: -61.726
tors. eta vs tors. theta energy: -138.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1527.488233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.488233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.488233 (E_RNA)
where:
Base-Base interactions energy: -1032.906
where: short stacking energy: -429.181
Base-Backbone interact. energy: -4.534
local terms energy: -490.047867
where:
bonds (distance) C4'-P energy: -90.851
bonds (distance) P-C4' energy: -114.671
flat angles C4'-P-C4' energy: -114.501
flat angles P-C4'-P energy: -56.313
tors. eta vs tors. theta energy: -113.711
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: 3
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1359.980048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.980048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.980048 (E_RNA)
where:
Base-Base interactions energy: -848.191
where: short stacking energy: -375.309
Base-Backbone interact. energy: -0.558
local terms energy: -511.231233
where:
bonds (distance) C4'-P energy: -109.260
bonds (distance) P-C4' energy: -94.899
flat angles C4'-P-C4' energy: -116.040
flat angles P-C4'-P energy: -93.935
tors. eta vs tors. theta energy: -97.098
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: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1211.647190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.647190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.647190 (E_RNA)
where:
Base-Base interactions energy: -762.247
where: short stacking energy: -351.700
Base-Backbone interact. energy: -0.856
local terms energy: -448.543830
where:
bonds (distance) C4'-P energy: -94.324
bonds (distance) P-C4' energy: -103.425
flat angles C4'-P-C4' energy: -110.866
flat angles P-C4'-P energy: -61.726
tors. eta vs tors. theta energy: -78.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -998.208057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.208057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.208057 (E_RNA)
where:
Base-Base interactions energy: -581.163
where: short stacking energy: -270.165
Base-Backbone interact. energy: -2.179
local terms energy: -414.866074
where:
bonds (distance) C4'-P energy: -107.347
bonds (distance) P-C4' energy: -108.186
flat angles C4'-P-C4' energy: -95.241
flat angles P-C4'-P energy: -58.822
tors. eta vs tors. theta energy: -45.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -899.575372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.575372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.575372 (E_RNA)
where:
Base-Base interactions energy: -490.901
where: short stacking energy: -254.593
Base-Backbone interact. energy: -2.019
local terms energy: -406.655488
where:
bonds (distance) C4'-P energy: -112.951
bonds (distance) P-C4' energy: -88.929
flat angles C4'-P-C4' energy: -98.700
flat angles P-C4'-P energy: -49.903
tors. eta vs tors. theta energy: -56.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -672.735263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.735263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.735263 (E_RNA)
where:
Base-Base interactions energy: -397.569
where: short stacking energy: -178.211
Base-Backbone interact. energy: 3.551
local terms energy: -278.716520
where:
bonds (distance) C4'-P energy: -80.736
bonds (distance) P-C4' energy: -86.984
flat angles C4'-P-C4' energy: -68.021
flat angles P-C4'-P energy: -36.510
tors. eta vs tors. theta energy: -6.466
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: 1, replica: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1966.408747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.408747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.408747 (E_RNA)
where:
Base-Base interactions energy: -1332.093
where: short stacking energy: -569.275
Base-Backbone interact. energy: -4.451
local terms energy: -629.865088
where:
bonds (distance) C4'-P energy: -113.932
bonds (distance) P-C4' energy: -118.984
flat angles C4'-P-C4' energy: -133.494
flat angles P-C4'-P energy: -86.589
tors. eta vs tors. theta energy: -176.866
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: 4
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1915.928338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.928338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.928338 (E_RNA)
where:
Base-Base interactions energy: -1292.336
where: short stacking energy: -581.687
Base-Backbone interact. energy: 4.426
local terms energy: -628.018834
where:
bonds (distance) C4'-P energy: -125.360
bonds (distance) P-C4' energy: -106.806
flat angles C4'-P-C4' energy: -133.827
flat angles P-C4'-P energy: -93.530
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: 3, replica: 7
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1731.540499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.540499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.540499 (E_RNA)
where:
Base-Base interactions energy: -1176.077
where: short stacking energy: -483.469
Base-Backbone interact. energy: -0.211
local terms energy: -555.252008
where:
bonds (distance) C4'-P energy: -104.962
bonds (distance) P-C4' energy: -116.447
flat angles C4'-P-C4' energy: -113.457
flat angles P-C4'-P energy: -80.402
tors. eta vs tors. theta energy: -139.984
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: 4, replica: 1
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -1705.305437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.305437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.305437 (E_RNA)
where:
Base-Base interactions energy: -1159.331
where: short stacking energy: -484.678
Base-Backbone interact. energy: -1.833
local terms energy: -544.141801
where:
bonds (distance) C4'-P energy: -101.836
bonds (distance) P-C4' energy: -106.950
flat angles C4'-P-C4' energy: -127.399
flat angles P-C4'-P energy: -61.393
tors. eta vs tors. theta energy: -146.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1561.368845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.368845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.368845 (E_RNA)
where:
Base-Base interactions energy: -1035.878
where: short stacking energy: -463.527
Base-Backbone interact. energy: 7.004
local terms energy: -532.494374
where:
bonds (distance) C4'-P energy: -94.761
bonds (distance) P-C4' energy: -108.181
flat angles C4'-P-C4' energy: -125.567
flat angles P-C4'-P energy: -80.928
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: 6, replica: 3
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1396.330322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.330322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.330322 (E_RNA)
where:
Base-Base interactions energy: -908.130
where: short stacking energy: -433.215
Base-Backbone interact. energy: -2.710
local terms energy: -485.490419
where:
bonds (distance) C4'-P energy: -87.451
bonds (distance) P-C4' energy: -91.896
flat angles C4'-P-C4' energy: -114.923
flat angles P-C4'-P energy: -78.473
tors. eta vs tors. theta energy: -112.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -1286.433603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.433603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.433603 (E_RNA)
where:
Base-Base interactions energy: -821.151
where: short stacking energy: -376.749
Base-Backbone interact. energy: -1.191
local terms energy: -464.091840
where:
bonds (distance) C4'-P energy: -83.039
bonds (distance) P-C4' energy: -105.978
flat angles C4'-P-C4' energy: -107.914
flat angles P-C4'-P energy: -78.089
tors. eta vs tors. theta energy: -89.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -967.654066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.654066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.654066 (E_RNA)
where:
Base-Base interactions energy: -563.273
where: short stacking energy: -276.837
Base-Backbone interact. energy: 0.557
local terms energy: -404.938005
where:
bonds (distance) C4'-P energy: -98.001
bonds (distance) P-C4' energy: -108.040
flat angles C4'-P-C4' energy: -102.162
flat angles P-C4'-P energy: -56.249
tors. eta vs tors. theta energy: -40.487
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: 2
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -866.335655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.335655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.335655 (E_RNA)
where:
Base-Base interactions energy: -493.568
where: short stacking energy: -243.220
Base-Backbone interact. energy: -3.785
local terms energy: -368.982640
where:
bonds (distance) C4'-P energy: -90.884
bonds (distance) P-C4' energy: -101.990
flat angles C4'-P-C4' energy: -94.324
flat angles P-C4'-P energy: -46.269
tors. eta vs tors. theta energy: -35.516
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: 5
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -693.432844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.432844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.432844 (E_RNA)
where:
Base-Base interactions energy: -359.123
where: short stacking energy: -204.460
Base-Backbone interact. energy: -2.542
local terms energy: -331.767173
where:
bonds (distance) C4'-P energy: -86.898
bonds (distance) P-C4' energy: -94.732
flat angles C4'-P-C4' energy: -98.248
flat angles P-C4'-P energy: -40.680
tors. eta vs tors. theta energy: -11.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1954.760111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.760111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.760111 (E_RNA)
where:
Base-Base interactions energy: -1319.666
where: short stacking energy: -567.365
Base-Backbone interact. energy: 4.117
local terms energy: -639.211443
where:
bonds (distance) C4'-P energy: -119.932
bonds (distance) P-C4' energy: -126.065
flat angles C4'-P-C4' energy: -135.488
flat angles P-C4'-P energy: -96.695
tors. eta vs tors. theta energy: -161.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1901.605127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.605127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.605127 (E_RNA)
where:
Base-Base interactions energy: -1311.704
where: short stacking energy: -564.468
Base-Backbone interact. energy: 5.625
local terms energy: -595.526367
where:
bonds (distance) C4'-P energy: -116.894
bonds (distance) P-C4' energy: -113.260
flat angles C4'-P-C4' energy: -129.594
flat angles P-C4'-P energy: -79.136
tors. eta vs tors. theta energy: -156.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -1763.719049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.719049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.719049 (E_RNA)
where:
Base-Base interactions energy: -1174.197
where: short stacking energy: -487.060
Base-Backbone interact. energy: 0.093
local terms energy: -589.615810
where:
bonds (distance) C4'-P energy: -112.938
bonds (distance) P-C4' energy: -117.381
flat angles C4'-P-C4' energy: -121.400
flat angles P-C4'-P energy: -93.411
tors. eta vs tors. theta energy: -144.485
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: 7
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -1692.404208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.404208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.404208 (E_RNA)
where:
Base-Base interactions energy: -1146.766
where: short stacking energy: -503.627
Base-Backbone interact. energy: -1.530
local terms energy: -544.108599
where:
bonds (distance) C4'-P energy: -110.363
bonds (distance) P-C4' energy: -104.675
flat angles C4'-P-C4' energy: -116.540
flat angles P-C4'-P energy: -78.910
tors. eta vs tors. theta energy: -133.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1461.912157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.912157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.912157 (E_RNA)
where:
Base-Base interactions energy: -973.163
where: short stacking energy: -398.772
Base-Backbone interact. energy: 0.974
local terms energy: -489.722381
where:
bonds (distance) C4'-P energy: -89.999
bonds (distance) P-C4' energy: -110.168
flat angles C4'-P-C4' energy: -108.259
flat angles P-C4'-P energy: -79.725
tors. eta vs tors. theta energy: -101.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1414.699128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.699128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.699128 (E_RNA)
where:
Base-Base interactions energy: -961.933
where: short stacking energy: -432.184
Base-Backbone interact. energy: -1.523
local terms energy: -451.242423
where:
bonds (distance) C4'-P energy: -85.891
bonds (distance) P-C4' energy: -87.551
flat angles C4'-P-C4' energy: -105.728
flat angles P-C4'-P energy: -60.851
tors. eta vs tors. theta energy: -111.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -1247.616600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.616600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.616600 (E_RNA)
where:
Base-Base interactions energy: -762.557
where: short stacking energy: -354.286
Base-Backbone interact. energy: -0.433
local terms energy: -484.626722
where:
bonds (distance) C4'-P energy: -108.817
bonds (distance) P-C4' energy: -102.888
flat angles C4'-P-C4' energy: -115.722
flat angles P-C4'-P energy: -70.351
tors. eta vs tors. theta energy: -86.849
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: 8
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -975.403018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.403018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.403018 (E_RNA)
where:
Base-Base interactions energy: -586.635
where: short stacking energy: -264.595
Base-Backbone interact. energy: -2.126
local terms energy: -386.641993
where:
bonds (distance) C4'-P energy: -88.976
bonds (distance) P-C4' energy: -95.631
flat angles C4'-P-C4' energy: -101.622
flat angles P-C4'-P energy: -60.546
tors. eta vs tors. theta energy: -39.868
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: 2
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -844.442267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.442267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.442267 (E_RNA)
where:
Base-Base interactions energy: -465.270
where: short stacking energy: -220.078
Base-Backbone interact. energy: 5.842
local terms energy: -385.014451
where:
bonds (distance) C4'-P energy: -99.033
bonds (distance) P-C4' energy: -102.196
flat angles C4'-P-C4' energy: -109.181
flat angles P-C4'-P energy: -57.996
tors. eta vs tors. theta energy: -16.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -703.671345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.671345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.671345 (E_RNA)
where:
Base-Base interactions energy: -371.917
where: short stacking energy: -200.464
Base-Backbone interact. energy: -3.387
local terms energy: -328.367438
where:
bonds (distance) C4'-P energy: -102.850
bonds (distance) P-C4' energy: -100.804
flat angles C4'-P-C4' energy: -77.562
flat angles P-C4'-P energy: -48.759
tors. eta vs tors. theta energy: 1.607
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: 1, replica: 9
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1949.330730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.330730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.330730 (E_RNA)
where:
Base-Base interactions energy: -1340.774
where: short stacking energy: -571.060
Base-Backbone interact. energy: -1.279
local terms energy: -607.277704
where:
bonds (distance) C4'-P energy: -104.455
bonds (distance) P-C4' energy: -120.604
flat angles C4'-P-C4' energy: -139.214
flat angles P-C4'-P energy: -81.265
tors. eta vs tors. theta energy: -161.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1901.240066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.240066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.240066 (E_RNA)
where:
Base-Base interactions energy: -1296.253
where: short stacking energy: -580.790
Base-Backbone interact. energy: 4.919
local terms energy: -609.905382
where:
bonds (distance) C4'-P energy: -112.001
bonds (distance) P-C4' energy: -122.301
flat angles C4'-P-C4' energy: -134.681
flat angles P-C4'-P energy: -71.121
tors. eta vs tors. theta energy: -169.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1805.400487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.400487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.400487 (E_RNA)
where:
Base-Base interactions energy: -1203.596
where: short stacking energy: -521.472
Base-Backbone interact. energy: 0.723
local terms energy: -602.527738
where:
bonds (distance) C4'-P energy: -113.538
bonds (distance) P-C4' energy: -122.259
flat angles C4'-P-C4' energy: -123.145
flat angles P-C4'-P energy: -89.262
tors. eta vs tors. theta energy: -154.323
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: 4, replica: 7
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -1693.083684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.083684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.083684 (E_RNA)
where:
Base-Base interactions energy: -1143.473
where: short stacking energy: -499.229
Base-Backbone interact. energy: -2.070
local terms energy: -547.541351
where:
bonds (distance) C4'-P energy: -116.278
bonds (distance) P-C4' energy: -106.945
flat angles C4'-P-C4' energy: -116.753
flat angles P-C4'-P energy: -76.778
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: 5, replica: 6
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1567.372529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.372529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.372529 (E_RNA)
where:
Base-Base interactions energy: -1053.601
where: short stacking energy: -456.847
Base-Backbone interact. energy: -1.991
local terms energy: -511.779932
where:
bonds (distance) C4'-P energy: -102.730
bonds (distance) P-C4' energy: -110.370
flat angles C4'-P-C4' energy: -111.639
flat angles P-C4'-P energy: -82.720
tors. eta vs tors. theta energy: -104.321
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: 3
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1378.311204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.311204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.311204 (E_RNA)
where:
Base-Base interactions energy: -891.400
where: short stacking energy: -385.649
Base-Backbone interact. energy: -1.795
local terms energy: -485.116165
where:
bonds (distance) C4'-P energy: -109.126
bonds (distance) P-C4' energy: -96.068
flat angles C4'-P-C4' energy: -108.608
flat angles P-C4'-P energy: -66.060
tors. eta vs tors. theta energy: -105.253
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: 10
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -1272.014150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.014150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.014150 (E_RNA)
where:
Base-Base interactions energy: -834.499
where: short stacking energy: -393.729
Base-Backbone interact. energy: -4.222
local terms energy: -433.293082
where:
bonds (distance) C4'-P energy: -77.717
bonds (distance) P-C4' energy: -107.036
flat angles C4'-P-C4' energy: -97.243
flat angles P-C4'-P energy: -69.797
tors. eta vs tors. theta energy: -81.500
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: 8
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -1028.046139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.046139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.046139 (E_RNA)
where:
Base-Base interactions energy: -620.607
where: short stacking energy: -319.988
Base-Backbone interact. energy: -4.541
local terms energy: -402.898015
where:
bonds (distance) C4'-P energy: -103.064
bonds (distance) P-C4' energy: -90.364
flat angles C4'-P-C4' energy: -104.264
flat angles P-C4'-P energy: -44.542
tors. eta vs tors. theta energy: -60.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -799.168996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.168996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.168996 (E_RNA)
where:
Base-Base interactions energy: -459.553
where: short stacking energy: -240.893
Base-Backbone interact. energy: -2.099
local terms energy: -337.517378
where:
bonds (distance) C4'-P energy: -73.448
bonds (distance) P-C4' energy: -102.982
flat angles C4'-P-C4' energy: -96.394
flat angles P-C4'-P energy: -45.834
tors. eta vs tors. theta energy: -18.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -727.305237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.305237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.305237 (E_RNA)
where:
Base-Base interactions energy: -395.058
where: short stacking energy: -221.333
Base-Backbone interact. energy: -0.549
local terms energy: -331.698872
where:
bonds (distance) C4'-P energy: -99.443
bonds (distance) P-C4' energy: -99.877
flat angles C4'-P-C4' energy: -87.378
flat angles P-C4'-P energy: -29.327
tors. eta vs tors. theta energy: -15.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1959.363311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.363311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.363311 (E_RNA)
where:
Base-Base interactions energy: -1342.565
where: short stacking energy: -551.743
Base-Backbone interact. energy: -4.112
local terms energy: -612.686761
where:
bonds (distance) C4'-P energy: -113.957
bonds (distance) P-C4' energy: -107.400
flat angles C4'-P-C4' energy: -138.418
flat angles P-C4'-P energy: -88.714
tors. eta vs tors. theta energy: -164.197
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: 2, replica: 4
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1942.234215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.234215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.234215 (E_RNA)
where:
Base-Base interactions energy: -1350.919
where: short stacking energy: -599.947
Base-Backbone interact. energy: 5.446
local terms energy: -596.760583
where:
bonds (distance) C4'-P energy: -108.911
bonds (distance) P-C4' energy: -100.477
flat angles C4'-P-C4' energy: -135.948
flat angles P-C4'-P energy: -90.319
tors. eta vs tors. theta energy: -161.105
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: 3, replica: 1
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1741.520646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.520646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.520646 (E_RNA)
where:
Base-Base interactions energy: -1167.254
where: short stacking energy: -543.084
Base-Backbone interact. energy: -2.279
local terms energy: -571.987938
where:
bonds (distance) C4'-P energy: -104.708
bonds (distance) P-C4' energy: -94.603
flat angles C4'-P-C4' energy: -127.607
flat angles P-C4'-P energy: -85.044
tors. eta vs tors. theta energy: -160.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -1723.592443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.592443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.592443 (E_RNA)
where:
Base-Base interactions energy: -1162.089
where: short stacking energy: -517.998
Base-Backbone interact. energy: 0.180
local terms energy: -561.683460
where:
bonds (distance) C4'-P energy: -107.413
bonds (distance) P-C4' energy: -102.630
flat angles C4'-P-C4' energy: -117.978
flat angles P-C4'-P energy: -81.776
tors. eta vs tors. theta energy: -151.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1594.341445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.341445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.341445 (E_RNA)
where:
Base-Base interactions energy: -1087.661
where: short stacking energy: -475.026
Base-Backbone interact. energy: 1.017
local terms energy: -507.697278
where:
bonds (distance) C4'-P energy: -113.713
bonds (distance) P-C4' energy: -84.490
flat angles C4'-P-C4' energy: -118.270
flat angles P-C4'-P energy: -68.385
tors. eta vs tors. theta energy: -122.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1387.283824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.283824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.283824 (E_RNA)
where:
Base-Base interactions energy: -893.023
where: short stacking energy: -423.196
Base-Backbone interact. energy: -1.124
local terms energy: -493.136371
where:
bonds (distance) C4'-P energy: -110.795
bonds (distance) P-C4' energy: -94.022
flat angles C4'-P-C4' energy: -111.680
flat angles P-C4'-P energy: -64.574
tors. eta vs tors. theta energy: -112.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1286.606833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.606833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.606833 (E_RNA)
where:
Base-Base interactions energy: -847.380
where: short stacking energy: -369.933
Base-Backbone interact. energy: -3.415
local terms energy: -435.811606
where:
bonds (distance) C4'-P energy: -88.832
bonds (distance) P-C4' energy: -98.567
flat angles C4'-P-C4' energy: -96.447
flat angles P-C4'-P energy: -68.071
tors. eta vs tors. theta energy: -83.896
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: 8, replica: 8
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -948.062305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.062305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.062305 (E_RNA)
where:
Base-Base interactions energy: -556.474
where: short stacking energy: -309.465
Base-Backbone interact. energy: -1.488
local terms energy: -390.100104
where:
bonds (distance) C4'-P energy: -81.279
bonds (distance) P-C4' energy: -104.312
flat angles C4'-P-C4' energy: -81.075
flat angles P-C4'-P energy: -76.491
tors. eta vs tors. theta energy: -46.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -749.526355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.526355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.526355 (E_RNA)
where:
Base-Base interactions energy: -395.819
where: short stacking energy: -200.696
Base-Backbone interact. energy: 10.953
local terms energy: -364.660384
where:
bonds (distance) C4'-P energy: -85.934
bonds (distance) P-C4' energy: -112.798
flat angles C4'-P-C4' energy: -84.695
flat angles P-C4'-P energy: -52.489
tors. eta vs tors. theta energy: -28.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -723.054155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.054155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.054155 (E_RNA)
where:
Base-Base interactions energy: -411.420
where: short stacking energy: -208.645
Base-Backbone interact. energy: 1.014
local terms energy: -312.648515
where:
bonds (distance) C4'-P energy: -81.376
bonds (distance) P-C4' energy: -87.762
flat angles C4'-P-C4' energy: -90.786
flat angles P-C4'-P energy: -50.715
tors. eta vs tors. theta energy: -2.010
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: 9
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1954.320133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.320133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.320133 (E_RNA)
where:
Base-Base interactions energy: -1348.861
where: short stacking energy: -559.234
Base-Backbone interact. energy: 3.761
local terms energy: -609.220230
where:
bonds (distance) C4'-P energy: -108.034
bonds (distance) P-C4' energy: -112.999
flat angles C4'-P-C4' energy: -141.393
flat angles P-C4'-P energy: -87.977
tors. eta vs tors. theta energy: -158.817
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: 121
Temperature: 0.950000
Total energy: -1948.922939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.922939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.922939 (E_RNA)
where:
Base-Base interactions energy: -1312.287
where: short stacking energy: -560.914
Base-Backbone interact. energy: -4.226
local terms energy: -632.409649
where:
bonds (distance) C4'-P energy: -100.938
bonds (distance) P-C4' energy: -126.119
flat angles C4'-P-C4' energy: -137.263
flat angles P-C4'-P energy: -97.520
tors. eta vs tors. theta energy: -170.570
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: 1
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -1788.198583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.198583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.198583 (E_RNA)
where:
Base-Base interactions energy: -1196.093
where: short stacking energy: -524.164
Base-Backbone interact. energy: -0.313
local terms energy: -591.792946
where:
bonds (distance) C4'-P energy: -110.438
bonds (distance) P-C4' energy: -106.690
flat angles C4'-P-C4' energy: -124.828
flat angles P-C4'-P energy: -89.863
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: 4, replica: 7
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -1752.109753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.109753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.109753 (E_RNA)
where:
Base-Base interactions energy: -1200.539
where: short stacking energy: -519.021
Base-Backbone interact. energy: 3.476
local terms energy: -555.046477
where:
bonds (distance) C4'-P energy: -90.417
bonds (distance) P-C4' energy: -106.816
flat angles C4'-P-C4' energy: -123.794
flat angles P-C4'-P energy: -91.148
tors. eta vs tors. theta energy: -142.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1580.621953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.621953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.621953 (E_RNA)
where:
Base-Base interactions energy: -1093.314
where: short stacking energy: -453.440
Base-Backbone interact. energy: 1.511
local terms energy: -488.819192
where:
bonds (distance) C4'-P energy: -89.230
bonds (distance) P-C4' energy: -93.889
flat angles C4'-P-C4' energy: -101.486
flat angles P-C4'-P energy: -72.466
tors. eta vs tors. theta energy: -131.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1364.714854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.714854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.714854 (E_RNA)
where:
Base-Base interactions energy: -878.729
where: short stacking energy: -383.944
Base-Backbone interact. energy: -1.765
local terms energy: -484.220592
where:
bonds (distance) C4'-P energy: -96.511
bonds (distance) P-C4' energy: -114.077
flat angles C4'-P-C4' energy: -108.057
flat angles P-C4'-P energy: -72.207
tors. eta vs tors. theta energy: -93.369
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: 10
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -1241.357207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.357207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.357207 (E_RNA)
where:
Base-Base interactions energy: -783.405
where: short stacking energy: -343.752
Base-Backbone interact. energy: -4.653
local terms energy: -453.299978
where:
bonds (distance) C4'-P energy: -96.728
bonds (distance) P-C4' energy: -107.641
flat angles C4'-P-C4' energy: -106.861
flat angles P-C4'-P energy: -67.206
tors. eta vs tors. theta energy: -74.864
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: 8
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -874.602213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.602213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.602213 (E_RNA)
where:
Base-Base interactions energy: -519.616
where: short stacking energy: -255.071
Base-Backbone interact. energy: 0.336
local terms energy: -355.322292
where:
bonds (distance) C4'-P energy: -93.179
bonds (distance) P-C4' energy: -93.632
flat angles C4'-P-C4' energy: -98.697
flat angles P-C4'-P energy: -45.161
tors. eta vs tors. theta energy: -24.653
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: 121
Temperature: 1.300000
Total energy: -730.442881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.442881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.442881 (E_RNA)
where:
Base-Base interactions energy: -381.043
where: short stacking energy: -188.499
Base-Backbone interact. energy: -2.133
local terms energy: -347.266488
where:
bonds (distance) C4'-P energy: -98.122
bonds (distance) P-C4' energy: -108.788
flat angles C4'-P-C4' energy: -81.111
flat angles P-C4'-P energy: -40.637
tors. eta vs tors. theta energy: -18.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -684.538265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.538265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.538265 (E_RNA)
where:
Base-Base interactions energy: -371.833
where: short stacking energy: -185.180
Base-Backbone interact. energy: 0.402
local terms energy: -313.107561
where:
bonds (distance) C4'-P energy: -97.445
bonds (distance) P-C4' energy: -97.931
flat angles C4'-P-C4' energy: -72.424
flat angles P-C4'-P energy: -41.853
tors. eta vs tors. theta energy: -3.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1954.780999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.780999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.780999 (E_RNA)
where:
Base-Base interactions energy: -1318.116
where: short stacking energy: -559.263
Base-Backbone interact. energy: -2.519
local terms energy: -634.145188
where:
bonds (distance) C4'-P energy: -115.083
bonds (distance) P-C4' energy: -126.203
flat angles C4'-P-C4' energy: -128.054
flat angles P-C4'-P energy: -96.838
tors. eta vs tors. theta energy: -167.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1911.138154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.138154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.138154 (E_RNA)
where:
Base-Base interactions energy: -1302.583
where: short stacking energy: -550.517
Base-Backbone interact. energy: -1.430
local terms energy: -607.125742
where:
bonds (distance) C4'-P energy: -116.060
bonds (distance) P-C4' energy: -105.184
flat angles C4'-P-C4' energy: -131.510
flat angles P-C4'-P energy: -97.131
tors. eta vs tors. theta energy: -157.240
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: 1
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1788.882151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.882151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.882151 (E_RNA)
where:
Base-Base interactions energy: -1213.245
where: short stacking energy: -525.413
Base-Backbone interact. energy: -2.495
local terms energy: -573.142459
where:
bonds (distance) C4'-P energy: -99.211
bonds (distance) P-C4' energy: -118.269
flat angles C4'-P-C4' energy: -132.180
flat angles P-C4'-P energy: -66.005
tors. eta vs tors. theta energy: -157.478
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: 122
Temperature: 1.050000
Total energy: -1741.494850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.494850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.494850 (E_RNA)
where:
Base-Base interactions energy: -1196.827
where: short stacking energy: -519.903
Base-Backbone interact. energy: -2.750
local terms energy: -541.918111
where:
bonds (distance) C4'-P energy: -101.980
bonds (distance) P-C4' energy: -104.058
flat angles C4'-P-C4' energy: -121.156
flat angles P-C4'-P energy: -79.147
tors. eta vs tors. theta energy: -135.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -1624.646224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.646224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.646224 (E_RNA)
where:
Base-Base interactions energy: -1086.660
where: short stacking energy: -483.425
Base-Backbone interact. energy: -3.336
local terms energy: -534.650817
where:
bonds (distance) C4'-P energy: -100.224
bonds (distance) P-C4' energy: -111.862
flat angles C4'-P-C4' energy: -118.394
flat angles P-C4'-P energy: -70.587
tors. eta vs tors. theta energy: -133.583
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: 3
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1409.925408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.925408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.925408 (E_RNA)
where:
Base-Base interactions energy: -901.292
where: short stacking energy: -413.543
Base-Backbone interact. energy: -0.540
local terms energy: -508.093308
where:
bonds (distance) C4'-P energy: -108.386
bonds (distance) P-C4' energy: -107.553
flat angles C4'-P-C4' energy: -106.616
flat angles P-C4'-P energy: -71.645
tors. eta vs tors. theta energy: -113.893
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: 10
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -1243.556572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.556572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.556572 (E_RNA)
where:
Base-Base interactions energy: -796.023
where: short stacking energy: -352.656
Base-Backbone interact. energy: -1.583
local terms energy: -445.950465
where:
bonds (distance) C4'-P energy: -101.848
bonds (distance) P-C4' energy: -102.029
flat angles C4'-P-C4' energy: -96.931
flat angles P-C4'-P energy: -64.997
tors. eta vs tors. theta energy: -80.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -999.073799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.073799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.073799 (E_RNA)
where:
Base-Base interactions energy: -608.456
where: short stacking energy: -280.521
Base-Backbone interact. energy: -2.158
local terms energy: -388.459875
where:
bonds (distance) C4'-P energy: -113.708
bonds (distance) P-C4' energy: -83.656
flat angles C4'-P-C4' energy: -110.325
flat angles P-C4'-P energy: -41.961
tors. eta vs tors. theta energy: -38.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -856.556715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.556715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.556715 (E_RNA)
where:
Base-Base interactions energy: -508.039
where: short stacking energy: -261.663
Base-Backbone interact. energy: -2.127
local terms energy: -346.391303
where:
bonds (distance) C4'-P energy: -82.645
bonds (distance) P-C4' energy: -95.495
flat angles C4'-P-C4' energy: -88.599
flat angles P-C4'-P energy: -56.769
tors. eta vs tors. theta energy: -22.883
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: 5
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -683.691974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.691974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.691974 (E_RNA)
where:
Base-Base interactions energy: -320.812
where: short stacking energy: -166.241
Base-Backbone interact. energy: 0.857
local terms energy: -363.736974
where:
bonds (distance) C4'-P energy: -87.950
bonds (distance) P-C4' energy: -106.110
flat angles C4'-P-C4' energy: -93.984
flat angles P-C4'-P energy: -59.638
tors. eta vs tors. theta energy: -16.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1965.273231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.273231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.273231 (E_RNA)
where:
Base-Base interactions energy: -1351.037
where: short stacking energy: -565.126
Base-Backbone interact. energy: -2.422
local terms energy: -611.813867
where:
bonds (distance) C4'-P energy: -124.676
bonds (distance) P-C4' energy: -111.360
flat angles C4'-P-C4' energy: -134.221
flat angles P-C4'-P energy: -90.678
tors. eta vs tors. theta energy: -150.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1914.727531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.727531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.727531 (E_RNA)
where:
Base-Base interactions energy: -1307.725
where: short stacking energy: -563.309
Base-Backbone interact. energy: -1.965
local terms energy: -605.037860
where:
bonds (distance) C4'-P energy: -108.864
bonds (distance) P-C4' energy: -120.427
flat angles C4'-P-C4' energy: -119.750
flat angles P-C4'-P energy: -90.836
tors. eta vs tors. theta energy: -165.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1784.310234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.310234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.310234 (E_RNA)
where:
Base-Base interactions energy: -1213.622
where: short stacking energy: -515.282
Base-Backbone interact. energy: -1.594
local terms energy: -569.094636
where:
bonds (distance) C4'-P energy: -114.209
bonds (distance) P-C4' energy: -108.805
flat angles C4'-P-C4' energy: -112.504
flat angles P-C4'-P energy: -82.108
tors. eta vs tors. theta energy: -151.468
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: 7
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1710.311049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.311049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.311049 (E_RNA)
where:
Base-Base interactions energy: -1175.334
where: short stacking energy: -476.734
Base-Backbone interact. energy: 2.633
local terms energy: -537.609417
where:
bonds (distance) C4'-P energy: -91.762
bonds (distance) P-C4' energy: -112.531
flat angles C4'-P-C4' energy: -120.917
flat angles P-C4'-P energy: -79.142
tors. eta vs tors. theta energy: -133.257
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: 6
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1612.504759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.504759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.504759 (E_RNA)
where:
Base-Base interactions energy: -1085.308
where: short stacking energy: -456.841
Base-Backbone interact. energy: -2.157
local terms energy: -525.039296
where:
bonds (distance) C4'-P energy: -99.784
bonds (distance) P-C4' energy: -94.047
flat angles C4'-P-C4' energy: -122.171
flat angles P-C4'-P energy: -87.779
tors. eta vs tors. theta energy: -121.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1353.113139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.113139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.113139 (E_RNA)
where:
Base-Base interactions energy: -878.613
where: short stacking energy: -379.671
Base-Backbone interact. energy: 1.609
local terms energy: -476.109280
where:
bonds (distance) C4'-P energy: -104.694
bonds (distance) P-C4' energy: -102.419
flat angles C4'-P-C4' energy: -102.690
flat angles P-C4'-P energy: -67.099
tors. eta vs tors. theta energy: -99.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1236.719554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.719554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.719554 (E_RNA)
where:
Base-Base interactions energy: -754.821
where: short stacking energy: -326.525
Base-Backbone interact. energy: 0.911
local terms energy: -482.809652
where:
bonds (distance) C4'-P energy: -97.712
bonds (distance) P-C4' energy: -113.010
flat angles C4'-P-C4' energy: -122.006
flat angles P-C4'-P energy: -67.356
tors. eta vs tors. theta energy: -82.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -916.761580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.761580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.761580 (E_RNA)
where:
Base-Base interactions energy: -541.977
where: short stacking energy: -256.653
Base-Backbone interact. energy: -3.068
local terms energy: -371.716151
where:
bonds (distance) C4'-P energy: -96.027
bonds (distance) P-C4' energy: -93.747
flat angles C4'-P-C4' energy: -91.994
flat angles P-C4'-P energy: -50.265
tors. eta vs tors. theta energy: -39.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -792.657135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.657135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.657135 (E_RNA)
where:
Base-Base interactions energy: -412.765
where: short stacking energy: -189.339
Base-Backbone interact. energy: 10.158
local terms energy: -390.049845
where:
bonds (distance) C4'-P energy: -91.261
bonds (distance) P-C4' energy: -96.663
flat angles C4'-P-C4' energy: -103.765
flat angles P-C4'-P energy: -76.574
tors. eta vs tors. theta energy: -21.787
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: 5
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -684.189261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.189261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.189261 (E_RNA)
where:
Base-Base interactions energy: -365.001
where: short stacking energy: -183.402
Base-Backbone interact. energy: 7.760
local terms energy: -326.948032
where:
bonds (distance) C4'-P energy: -104.053
bonds (distance) P-C4' energy: -97.094
flat angles C4'-P-C4' energy: -72.178
flat angles P-C4'-P energy: -45.821
tors. eta vs tors. theta energy: -7.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1999.955562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.955562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.955562 (E_RNA)
where:
Base-Base interactions energy: -1395.224
where: short stacking energy: -587.377
Base-Backbone interact. energy: 0.925
local terms energy: -605.656864
where:
bonds (distance) C4'-P energy: -112.307
bonds (distance) P-C4' energy: -111.391
flat angles C4'-P-C4' energy: -139.806
flat angles P-C4'-P energy: -76.787
tors. eta vs tors. theta energy: -165.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1904.926854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.926854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.926854 (E_RNA)
where:
Base-Base interactions energy: -1312.226
where: short stacking energy: -549.950
Base-Backbone interact. energy: 5.712
local terms energy: -598.412957
where:
bonds (distance) C4'-P energy: -118.005
bonds (distance) P-C4' energy: -111.055
flat angles C4'-P-C4' energy: -124.565
flat angles P-C4'-P energy: -85.229
tors. eta vs tors. theta energy: -159.558
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: 1
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -1786.157084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.157084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.157084 (E_RNA)
where:
Base-Base interactions energy: -1221.494
where: short stacking energy: -510.120
Base-Backbone interact. energy: -2.506
local terms energy: -562.156797
where:
bonds (distance) C4'-P energy: -107.544
bonds (distance) P-C4' energy: -112.049
flat angles C4'-P-C4' energy: -116.548
flat angles P-C4'-P energy: -72.937
tors. eta vs tors. theta energy: -153.079
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: 7
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1677.299602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.299602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.299602 (E_RNA)
where:
Base-Base interactions energy: -1120.010
where: short stacking energy: -467.664
Base-Backbone interact. energy: -4.349
local terms energy: -552.941043
where:
bonds (distance) C4'-P energy: -116.900
bonds (distance) P-C4' energy: -124.651
flat angles C4'-P-C4' energy: -104.399
flat angles P-C4'-P energy: -76.544
tors. eta vs tors. theta energy: -130.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1562.975220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.975220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.975220 (E_RNA)
where:
Base-Base interactions energy: -1030.406
where: short stacking energy: -450.785
Base-Backbone interact. energy: -1.519
local terms energy: -531.049552
where:
bonds (distance) C4'-P energy: -99.119
bonds (distance) P-C4' energy: -104.030
flat angles C4'-P-C4' energy: -129.111
flat angles P-C4'-P energy: -71.898
tors. eta vs tors. theta energy: -126.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1375.730854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.730854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.730854 (E_RNA)
where:
Base-Base interactions energy: -896.538
where: short stacking energy: -409.755
Base-Backbone interact. energy: 12.081
local terms energy: -491.273479
where:
bonds (distance) C4'-P energy: -95.738
bonds (distance) P-C4' energy: -104.430
flat angles C4'-P-C4' energy: -112.802
flat angles P-C4'-P energy: -80.546
tors. eta vs tors. theta energy: -97.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1135.264451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.264451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.264451 (E_RNA)
where:
Base-Base interactions energy: -715.289
where: short stacking energy: -337.291
Base-Backbone interact. energy: 1.944
local terms energy: -421.919766
where:
bonds (distance) C4'-P energy: -111.670
bonds (distance) P-C4' energy: -95.865
flat angles C4'-P-C4' energy: -101.680
flat angles P-C4'-P energy: -46.158
tors. eta vs tors. theta energy: -66.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -972.424514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.424514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.424514 (E_RNA)
where:
Base-Base interactions energy: -588.389
where: short stacking energy: -275.911
Base-Backbone interact. energy: 1.994
local terms energy: -386.029877
where:
bonds (distance) C4'-P energy: -99.253
bonds (distance) P-C4' energy: -92.977
flat angles C4'-P-C4' energy: -98.380
flat angles P-C4'-P energy: -54.503
tors. eta vs tors. theta energy: -40.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -862.664507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.664507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.664507 (E_RNA)
where:
Base-Base interactions energy: -496.070
where: short stacking energy: -252.616
Base-Backbone interact. energy: -1.439
local terms energy: -365.155880
where:
bonds (distance) C4'-P energy: -80.367
bonds (distance) P-C4' energy: -94.126
flat angles C4'-P-C4' energy: -99.957
flat angles P-C4'-P energy: -64.742
tors. eta vs tors. theta energy: -25.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -690.841481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.841481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.841481 (E_RNA)
where:
Base-Base interactions energy: -358.412
where: short stacking energy: -190.738
Base-Backbone interact. energy: 2.167
local terms energy: -334.596917
where:
bonds (distance) C4'-P energy: -102.514
bonds (distance) P-C4' energy: -98.255
flat angles C4'-P-C4' energy: -89.354
flat angles P-C4'-P energy: -43.388
tors. eta vs tors. theta energy: -1.086
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: 1, replica: 9
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1999.580940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.580940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.580940 (E_RNA)
where:
Base-Base interactions energy: -1380.652
where: short stacking energy: -578.475
Base-Backbone interact. energy: -0.784
local terms energy: -618.144745
where:
bonds (distance) C4'-P energy: -123.151
bonds (distance) P-C4' energy: -110.494
flat angles C4'-P-C4' energy: -131.066
flat angles P-C4'-P energy: -89.893
tors. eta vs tors. theta energy: -163.540
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: 4
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1917.087396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.087396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.087396 (E_RNA)
where:
Base-Base interactions energy: -1300.541
where: short stacking energy: -556.621
Base-Backbone interact. energy: -5.041
local terms energy: -611.504824
where:
bonds (distance) C4'-P energy: -116.690
bonds (distance) P-C4' energy: -119.362
flat angles C4'-P-C4' energy: -132.324
flat angles P-C4'-P energy: -82.426
tors. eta vs tors. theta energy: -160.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1805.123364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.123364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.123364 (E_RNA)
where:
Base-Base interactions energy: -1212.553
where: short stacking energy: -525.321
Base-Backbone interact. energy: -0.970
local terms energy: -591.600281
where:
bonds (distance) C4'-P energy: -113.612
bonds (distance) P-C4' energy: -111.791
flat angles C4'-P-C4' energy: -122.533
flat angles P-C4'-P energy: -87.646
tors. eta vs tors. theta energy: -156.018
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: 125
Temperature: 1.050000
Total energy: -1736.024938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.024938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.024938 (E_RNA)
where:
Base-Base interactions energy: -1181.139
where: short stacking energy: -531.973
Base-Backbone interact. energy: -0.948
local terms energy: -553.937306
where:
bonds (distance) C4'-P energy: -106.576
bonds (distance) P-C4' energy: -110.116
flat angles C4'-P-C4' energy: -119.521
flat angles P-C4'-P energy: -71.760
tors. eta vs tors. theta energy: -145.964
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: 6
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -1516.971689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.971689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.971689 (E_RNA)
where:
Base-Base interactions energy: -1006.267
where: short stacking energy: -432.236
Base-Backbone interact. energy: 0.143
local terms energy: -510.847739
where:
bonds (distance) C4'-P energy: -110.771
bonds (distance) P-C4' energy: -109.348
flat angles C4'-P-C4' energy: -107.845
flat angles P-C4'-P energy: -78.445
tors. eta vs tors. theta energy: -104.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1397.798150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.798150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.798150 (E_RNA)
where:
Base-Base interactions energy: -905.315
where: short stacking energy: -381.799
Base-Backbone interact. energy: -1.975
local terms energy: -490.507807
where:
bonds (distance) C4'-P energy: -89.571
bonds (distance) P-C4' energy: -106.403
flat angles C4'-P-C4' energy: -113.793
flat angles P-C4'-P energy: -65.978
tors. eta vs tors. theta energy: -114.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1136.533281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.533281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.533281 (E_RNA)
where:
Base-Base interactions energy: -681.911
where: short stacking energy: -330.939
Base-Backbone interact. energy: 4.040
local terms energy: -458.661834
where:
bonds (distance) C4'-P energy: -109.837
bonds (distance) P-C4' energy: -105.692
flat angles C4'-P-C4' energy: -105.740
flat angles P-C4'-P energy: -75.644
tors. eta vs tors. theta energy: -61.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -991.355696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.355696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.355696 (E_RNA)
where:
Base-Base interactions energy: -598.219
where: short stacking energy: -270.567
Base-Backbone interact. energy: -2.509
local terms energy: -390.627872
where:
bonds (distance) C4'-P energy: -107.779
bonds (distance) P-C4' energy: -97.948
flat angles C4'-P-C4' energy: -90.950
flat angles P-C4'-P energy: -64.871
tors. eta vs tors. theta energy: -29.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -754.214894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.214894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.214894 (E_RNA)
where:
Base-Base interactions energy: -396.143
where: short stacking energy: -218.823
Base-Backbone interact. energy: 0.406
local terms energy: -358.478138
where:
bonds (distance) C4'-P energy: -96.562
bonds (distance) P-C4' energy: -108.332
flat angles C4'-P-C4' energy: -83.804
flat angles P-C4'-P energy: -51.134
tors. eta vs tors. theta energy: -18.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -781.783245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.783245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.783245 (E_RNA)
where:
Base-Base interactions energy: -416.996
where: short stacking energy: -231.881
Base-Backbone interact. energy: -2.777
local terms energy: -362.009991
where:
bonds (distance) C4'-P energy: -81.925
bonds (distance) P-C4' energy: -112.926
flat angles C4'-P-C4' energy: -80.250
flat angles P-C4'-P energy: -64.413
tors. eta vs tors. theta energy: -22.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -2003.157786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.157786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.157786 (E_RNA)
where:
Base-Base interactions energy: -1376.232
where: short stacking energy: -567.325
Base-Backbone interact. energy: -2.270
local terms energy: -624.655302
where:
bonds (distance) C4'-P energy: -125.347
bonds (distance) P-C4' energy: -116.166
flat angles C4'-P-C4' energy: -129.209
flat angles P-C4'-P energy: -93.868
tors. eta vs tors. theta energy: -160.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1919.655535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.655535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.655535 (E_RNA)
where:
Base-Base interactions energy: -1296.331
where: short stacking energy: -546.188
Base-Backbone interact. energy: -1.848
local terms energy: -621.476660
where:
bonds (distance) C4'-P energy: -118.338
bonds (distance) P-C4' energy: -109.138
flat angles C4'-P-C4' energy: -133.332
flat angles P-C4'-P energy: -87.829
tors. eta vs tors. theta energy: -172.839
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: 1
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -1813.708471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.708471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.708471 (E_RNA)
where:
Base-Base interactions energy: -1237.874
where: short stacking energy: -545.175
Base-Backbone interact. energy: -0.728
local terms energy: -575.106376
where:
bonds (distance) C4'-P energy: -110.753
bonds (distance) P-C4' energy: -91.153
flat angles C4'-P-C4' energy: -129.418
flat angles P-C4'-P energy: -84.687
tors. eta vs tors. theta energy: -159.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -1678.263782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.263782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.263782 (E_RNA)
where:
Base-Base interactions energy: -1117.751
where: short stacking energy: -501.158
Base-Backbone interact. energy: -2.920
local terms energy: -557.592632
where:
bonds (distance) C4'-P energy: -100.923
bonds (distance) P-C4' energy: -106.849
flat angles C4'-P-C4' energy: -121.810
flat angles P-C4'-P energy: -85.748
tors. eta vs tors. theta energy: -142.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -1494.630922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.630922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.630922 (E_RNA)
where:
Base-Base interactions energy: -998.758
where: short stacking energy: -441.138
Base-Backbone interact. energy: 0.335
local terms energy: -496.207352
where:
bonds (distance) C4'-P energy: -97.378
bonds (distance) P-C4' energy: -109.672
flat angles C4'-P-C4' energy: -92.249
flat angles P-C4'-P energy: -74.450
tors. eta vs tors. theta energy: -122.458
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: 3
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1375.694209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.694209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.694209 (E_RNA)
where:
Base-Base interactions energy: -879.324
where: short stacking energy: -388.346
Base-Backbone interact. energy: 0.388
local terms energy: -496.757775
where:
bonds (distance) C4'-P energy: -103.807
bonds (distance) P-C4' energy: -101.528
flat angles C4'-P-C4' energy: -110.586
flat angles P-C4'-P energy: -75.647
tors. eta vs tors. theta energy: -105.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -1138.116393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.116393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.116393 (E_RNA)
where:
Base-Base interactions energy: -701.720
where: short stacking energy: -340.708
Base-Backbone interact. energy: -1.659
local terms energy: -434.737580
where:
bonds (distance) C4'-P energy: -94.123
bonds (distance) P-C4' energy: -100.030
flat angles C4'-P-C4' energy: -101.139
flat angles P-C4'-P energy: -65.729
tors. eta vs tors. theta energy: -73.717
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: 8, replica: 8
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -926.946865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.946865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.946865 (E_RNA)
where:
Base-Base interactions energy: -557.142
where: short stacking energy: -259.148
Base-Backbone interact. energy: -2.840
local terms energy: -366.964814
where:
bonds (distance) C4'-P energy: -93.673
bonds (distance) P-C4' energy: -107.929
flat angles C4'-P-C4' energy: -83.829
flat angles P-C4'-P energy: -62.953
tors. eta vs tors. theta energy: -18.581
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: 5
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -787.612139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.612139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.612139 (E_RNA)
where:
Base-Base interactions energy: -420.765
where: short stacking energy: -216.660
Base-Backbone interact. energy: 6.615
local terms energy: -373.462679
where:
bonds (distance) C4'-P energy: -102.372
bonds (distance) P-C4' energy: -106.565
flat angles C4'-P-C4' energy: -97.879
flat angles P-C4'-P energy: -51.059
tors. eta vs tors. theta energy: -15.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -689.693377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.693377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.693377 (E_RNA)
where:
Base-Base interactions energy: -358.629
where: short stacking energy: -204.992
Base-Backbone interact. energy: -1.183
local terms energy: -329.880896
where:
bonds (distance) C4'-P energy: -93.782
bonds (distance) P-C4' energy: -101.499
flat angles C4'-P-C4' energy: -79.636
flat angles P-C4'-P energy: -43.031
tors. eta vs tors. theta energy: -11.933
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: 1, replica: 9
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -2008.676752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.676752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.676752 (E_RNA)
where:
Base-Base interactions energy: -1389.900
where: short stacking energy: -566.468
Base-Backbone interact. energy: 1.762
local terms energy: -620.538990
where:
bonds (distance) C4'-P energy: -116.972
bonds (distance) P-C4' energy: -106.930
flat angles C4'-P-C4' energy: -145.216
flat angles P-C4'-P energy: -89.156
tors. eta vs tors. theta energy: -162.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1884.182921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.182921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.182921 (E_RNA)
where:
Base-Base interactions energy: -1285.954
where: short stacking energy: -553.186
Base-Backbone interact. energy: 0.589
local terms energy: -598.817915
where:
bonds (distance) C4'-P energy: -114.426
bonds (distance) P-C4' energy: -113.540
flat angles C4'-P-C4' energy: -129.497
flat angles P-C4'-P energy: -86.549
tors. eta vs tors. theta energy: -154.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -1801.442553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.442553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.442553 (E_RNA)
where:
Base-Base interactions energy: -1222.480
where: short stacking energy: -522.293
Base-Backbone interact. energy: -3.151
local terms energy: -575.811423
where:
bonds (distance) C4'-P energy: -107.734
bonds (distance) P-C4' energy: -112.042
flat angles C4'-P-C4' energy: -113.025
flat angles P-C4'-P energy: -88.848
tors. eta vs tors. theta energy: -154.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -1625.795566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.795566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.795566 (E_RNA)
where:
Base-Base interactions energy: -1117.991
where: short stacking energy: -467.519
Base-Backbone interact. energy: -0.781
local terms energy: -507.023498
where:
bonds (distance) C4'-P energy: -98.807
bonds (distance) P-C4' energy: -115.508
flat angles C4'-P-C4' energy: -89.857
flat angles P-C4'-P energy: -77.945
tors. eta vs tors. theta energy: -124.907
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: 6
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -1434.775022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.775022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.775022 (E_RNA)
where:
Base-Base interactions energy: -926.740
where: short stacking energy: -396.806
Base-Backbone interact. energy: -1.697
local terms energy: -506.338479
where:
bonds (distance) C4'-P energy: -102.034
bonds (distance) P-C4' energy: -101.124
flat angles C4'-P-C4' energy: -108.495
flat angles P-C4'-P energy: -95.906
tors. eta vs tors. theta energy: -98.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1329.075576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.075576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.075576 (E_RNA)
where:
Base-Base interactions energy: -816.149
where: short stacking energy: -360.364
Base-Backbone interact. energy: -1.863
local terms energy: -511.062999
where:
bonds (distance) C4'-P energy: -111.898
bonds (distance) P-C4' energy: -121.304
flat angles C4'-P-C4' energy: -105.758
flat angles P-C4'-P energy: -71.187
tors. eta vs tors. theta energy: -100.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -1177.152983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.152983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.152983 (E_RNA)
where:
Base-Base interactions energy: -734.347
where: short stacking energy: -331.406
Base-Backbone interact. energy: -0.014
local terms energy: -442.791982
where:
bonds (distance) C4'-P energy: -98.542
bonds (distance) P-C4' energy: -101.386
flat angles C4'-P-C4' energy: -107.823
flat angles P-C4'-P energy: -73.206
tors. eta vs tors. theta energy: -61.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -888.799103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.799103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.799103 (E_RNA)
where:
Base-Base interactions energy: -528.306
where: short stacking energy: -276.511
Base-Backbone interact. energy: -0.071
local terms energy: -360.422586
where:
bonds (distance) C4'-P energy: -82.236
bonds (distance) P-C4' energy: -84.472
flat angles C4'-P-C4' energy: -103.322
flat angles P-C4'-P energy: -52.065
tors. eta vs tors. theta energy: -38.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -800.651081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.651081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.651081 (E_RNA)
where:
Base-Base interactions energy: -416.803
where: short stacking energy: -200.085
Base-Backbone interact. energy: -3.252
local terms energy: -380.595870
where:
bonds (distance) C4'-P energy: -104.217
bonds (distance) P-C4' energy: -91.231
flat angles C4'-P-C4' energy: -88.401
flat angles P-C4'-P energy: -61.747
tors. eta vs tors. theta energy: -35.000
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: 2
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -701.892346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.892346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.892346 (E_RNA)
where:
Base-Base interactions energy: -367.523
where: short stacking energy: -184.760
Base-Backbone interact. energy: 2.547
local terms energy: -336.916139
where:
bonds (distance) C4'-P energy: -80.405
bonds (distance) P-C4' energy: -90.472
flat angles C4'-P-C4' energy: -110.591
flat angles P-C4'-P energy: -58.748
tors. eta vs tors. theta energy: 3.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -2006.683053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.683053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.683053 (E_RNA)
where:
Base-Base interactions energy: -1363.392
where: short stacking energy: -576.535
Base-Backbone interact. energy: -0.872
local terms energy: -642.419281
where:
bonds (distance) C4'-P energy: -107.100
bonds (distance) P-C4' energy: -129.948
flat angles C4'-P-C4' energy: -136.834
flat angles P-C4'-P energy: -98.583
tors. eta vs tors. theta energy: -169.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1894.274721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.274721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.274721 (E_RNA)
where:
Base-Base interactions energy: -1288.075
where: short stacking energy: -530.298
Base-Backbone interact. energy: -2.638
local terms energy: -603.561287
where:
bonds (distance) C4'-P energy: -122.922
bonds (distance) P-C4' energy: -109.788
flat angles C4'-P-C4' energy: -132.859
flat angles P-C4'-P energy: -81.310
tors. eta vs tors. theta energy: -156.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1787.488292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.488292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.488292 (E_RNA)
where:
Base-Base interactions energy: -1197.983
where: short stacking energy: -523.084
Base-Backbone interact. energy: -2.118
local terms energy: -587.387798
where:
bonds (distance) C4'-P energy: -104.806
bonds (distance) P-C4' energy: -116.617
flat angles C4'-P-C4' energy: -131.651
flat angles P-C4'-P energy: -72.959
tors. eta vs tors. theta energy: -161.354
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: 7
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -1620.326938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.326938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.326938 (E_RNA)
where:
Base-Base interactions energy: -1070.394
where: short stacking energy: -476.988
Base-Backbone interact. energy: -2.263
local terms energy: -547.670124
where:
bonds (distance) C4'-P energy: -104.384
bonds (distance) P-C4' energy: -112.968
flat angles C4'-P-C4' energy: -123.047
flat angles P-C4'-P energy: -71.036
tors. eta vs tors. theta energy: -136.235
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: 128
Temperature: 1.100000
Total energy: -1421.670649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.670649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.670649 (E_RNA)
where:
Base-Base interactions energy: -908.415
where: short stacking energy: -403.243
Base-Backbone interact. energy: -1.913
local terms energy: -511.342466
where:
bonds (distance) C4'-P energy: -98.840
bonds (distance) P-C4' energy: -118.533
flat angles C4'-P-C4' energy: -105.773
flat angles P-C4'-P energy: -80.362
tors. eta vs tors. theta energy: -107.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1370.999150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.999150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.999150 (E_RNA)
where:
Base-Base interactions energy: -884.729
where: short stacking energy: -424.780
Base-Backbone interact. energy: -2.006
local terms energy: -484.264101
where:
bonds (distance) C4'-P energy: -102.081
bonds (distance) P-C4' energy: -100.952
flat angles C4'-P-C4' energy: -96.643
flat angles P-C4'-P energy: -68.319
tors. eta vs tors. theta energy: -116.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -1183.639281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.639281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.639281 (E_RNA)
where:
Base-Base interactions energy: -728.412
where: short stacking energy: -322.855
Base-Backbone interact. energy: -2.253
local terms energy: -452.973859
where:
bonds (distance) C4'-P energy: -97.301
bonds (distance) P-C4' energy: -113.469
flat angles C4'-P-C4' energy: -108.285
flat angles P-C4'-P energy: -62.383
tors. eta vs tors. theta energy: -71.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -890.960772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.960772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.960772 (E_RNA)
where:
Base-Base interactions energy: -524.031
where: short stacking energy: -263.232
Base-Backbone interact. energy: 6.264
local terms energy: -373.193686
where:
bonds (distance) C4'-P energy: -75.340
bonds (distance) P-C4' energy: -111.160
flat angles C4'-P-C4' energy: -104.861
flat angles P-C4'-P energy: -54.299
tors. eta vs tors. theta energy: -27.534
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: 128
Temperature: 1.300000
Total energy: -809.667630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.667630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.667630 (E_RNA)
where:
Base-Base interactions energy: -427.629
where: short stacking energy: -201.603
Base-Backbone interact. energy: -2.278
local terms energy: -379.760185
where:
bonds (distance) C4'-P energy: -91.900
bonds (distance) P-C4' energy: -100.451
flat angles C4'-P-C4' energy: -100.559
flat angles P-C4'-P energy: -67.612
tors. eta vs tors. theta energy: -19.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -699.432308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.432308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.432308 (E_RNA)
where:
Base-Base interactions energy: -372.139
where: short stacking energy: -191.375
Base-Backbone interact. energy: 1.847
local terms energy: -329.140714
where:
bonds (distance) C4'-P energy: -90.168
bonds (distance) P-C4' energy: -91.226
flat angles C4'-P-C4' energy: -82.619
flat angles P-C4'-P energy: -55.497
tors. eta vs tors. theta energy: -9.631
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: 9
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1973.570915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.570915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.570915 (E_RNA)
where:
Base-Base interactions energy: -1356.832
where: short stacking energy: -562.994
Base-Backbone interact. energy: -3.590
local terms energy: -613.148229
where:
bonds (distance) C4'-P energy: -128.415
bonds (distance) P-C4' energy: -112.682
flat angles C4'-P-C4' energy: -119.232
flat angles P-C4'-P energy: -88.069
tors. eta vs tors. theta energy: -164.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1896.849308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.849308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.849308 (E_RNA)
where:
Base-Base interactions energy: -1308.677
where: short stacking energy: -569.497
Base-Backbone interact. energy: -0.214
local terms energy: -587.958373
where:
bonds (distance) C4'-P energy: -105.637
bonds (distance) P-C4' energy: -113.437
flat angles C4'-P-C4' energy: -126.162
flat angles P-C4'-P energy: -78.247
tors. eta vs tors. theta energy: -164.475
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: 1
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1814.964226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.964226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.964226 (E_RNA)
where:
Base-Base interactions energy: -1210.444
where: short stacking energy: -531.639
Base-Backbone interact. energy: 2.469
local terms energy: -606.989153
where:
bonds (distance) C4'-P energy: -117.816
bonds (distance) P-C4' energy: -110.176
flat angles C4'-P-C4' energy: -140.834
flat angles P-C4'-P energy: -77.555
tors. eta vs tors. theta energy: -160.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -1657.446145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.446145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.446145 (E_RNA)
where:
Base-Base interactions energy: -1129.086
where: short stacking energy: -492.893
Base-Backbone interact. energy: -4.920
local terms energy: -523.440892
where:
bonds (distance) C4'-P energy: -97.987
bonds (distance) P-C4' energy: -104.028
flat angles C4'-P-C4' energy: -124.405
flat angles P-C4'-P energy: -61.998
tors. eta vs tors. theta energy: -135.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1453.028830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.028830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.028830 (E_RNA)
where:
Base-Base interactions energy: -941.899
where: short stacking energy: -409.843
Base-Backbone interact. energy: 0.923
local terms energy: -512.053029
where:
bonds (distance) C4'-P energy: -108.987
bonds (distance) P-C4' energy: -110.298
flat angles C4'-P-C4' energy: -109.777
flat angles P-C4'-P energy: -75.950
tors. eta vs tors. theta energy: -107.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1376.201418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.201418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.201418 (E_RNA)
where:
Base-Base interactions energy: -886.361
where: short stacking energy: -401.836
Base-Backbone interact. energy: -0.656
local terms energy: -489.184438
where:
bonds (distance) C4'-P energy: -114.760
bonds (distance) P-C4' energy: -102.058
flat angles C4'-P-C4' energy: -106.525
flat angles P-C4'-P energy: -72.919
tors. eta vs tors. theta energy: -92.923
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: 10
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -1167.669706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.669706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.669706 (E_RNA)
where:
Base-Base interactions energy: -720.457
where: short stacking energy: -348.143
Base-Backbone interact. energy: -1.004
local terms energy: -446.209236
where:
bonds (distance) C4'-P energy: -107.614
bonds (distance) P-C4' energy: -96.976
flat angles C4'-P-C4' energy: -91.430
flat angles P-C4'-P energy: -78.906
tors. eta vs tors. theta energy: -71.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -925.871150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.871150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.871150 (E_RNA)
where:
Base-Base interactions energy: -496.170
where: short stacking energy: -252.309
Base-Backbone interact. energy: -0.258
local terms energy: -429.443303
where:
bonds (distance) C4'-P energy: -86.995
bonds (distance) P-C4' energy: -111.154
flat angles C4'-P-C4' energy: -103.605
flat angles P-C4'-P energy: -89.080
tors. eta vs tors. theta energy: -38.608
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: 9, replica: 8
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -810.489706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.489706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.489706 (E_RNA)
where:
Base-Base interactions energy: -458.027
where: short stacking energy: -217.168
Base-Backbone interact. energy: -1.192
local terms energy: -351.270243
where:
bonds (distance) C4'-P energy: -95.144
bonds (distance) P-C4' energy: -114.639
flat angles C4'-P-C4' energy: -71.840
flat angles P-C4'-P energy: -53.046
tors. eta vs tors. theta energy: -16.601
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: 10, replica: 2
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -736.414420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.414420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.414420 (E_RNA)
where:
Base-Base interactions energy: -401.562
where: short stacking energy: -200.111
Base-Backbone interact. energy: 0.045
local terms energy: -334.897919
where:
bonds (distance) C4'-P energy: -103.676
bonds (distance) P-C4' energy: -78.856
flat angles C4'-P-C4' energy: -84.073
flat angles P-C4'-P energy: -66.977
tors. eta vs tors. theta energy: -1.316
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: 9
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -2001.396895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.396895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.396895 (E_RNA)
where:
Base-Base interactions energy: -1375.150
where: short stacking energy: -590.880
Base-Backbone interact. energy: -1.142
local terms energy: -625.105125
where:
bonds (distance) C4'-P energy: -120.081
bonds (distance) P-C4' energy: -115.425
flat angles C4'-P-C4' energy: -127.501
flat angles P-C4'-P energy: -83.841
tors. eta vs tors. theta energy: -178.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1884.965989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.965989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.965989 (E_RNA)
where:
Base-Base interactions energy: -1250.328
where: short stacking energy: -530.115
Base-Backbone interact. energy: -2.394
local terms energy: -632.244050
where:
bonds (distance) C4'-P energy: -130.052
bonds (distance) P-C4' energy: -120.886
flat angles C4'-P-C4' energy: -136.167
flat angles P-C4'-P energy: -92.906
tors. eta vs tors. theta energy: -152.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1813.973814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.973814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.973814 (E_RNA)
where:
Base-Base interactions energy: -1226.518
where: short stacking energy: -519.212
Base-Backbone interact. energy: -1.439
local terms energy: -586.016307
where:
bonds (distance) C4'-P energy: -113.519
bonds (distance) P-C4' energy: -113.481
flat angles C4'-P-C4' energy: -117.682
flat angles P-C4'-P energy: -75.676
tors. eta vs tors. theta energy: -165.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1711.323789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.323789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.323789 (E_RNA)
where:
Base-Base interactions energy: -1168.808
where: short stacking energy: -489.303
Base-Backbone interact. energy: -3.890
local terms energy: -538.625595
where:
bonds (distance) C4'-P energy: -97.574
bonds (distance) P-C4' energy: -111.747
flat angles C4'-P-C4' energy: -112.475
flat angles P-C4'-P energy: -76.807
tors. eta vs tors. theta energy: -140.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1451.551200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.551200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.551200 (E_RNA)
where:
Base-Base interactions energy: -976.457
where: short stacking energy: -451.532
Base-Backbone interact. energy: -0.379
local terms energy: -474.715351
where:
bonds (distance) C4'-P energy: -91.407
bonds (distance) P-C4' energy: -96.669
flat angles C4'-P-C4' energy: -112.669
flat angles P-C4'-P energy: -56.450
tors. eta vs tors. theta energy: -117.520
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: 3
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1401.618320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.618320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.618320 (E_RNA)
where:
Base-Base interactions energy: -912.080
where: short stacking energy: -415.867
Base-Backbone interact. energy: 0.152
local terms energy: -489.691217
where:
bonds (distance) C4'-P energy: -107.174
bonds (distance) P-C4' energy: -92.674
flat angles C4'-P-C4' energy: -110.671
flat angles P-C4'-P energy: -68.909
tors. eta vs tors. theta energy: -110.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -1104.181622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.181622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.181622 (E_RNA)
where:
Base-Base interactions energy: -688.212
where: short stacking energy: -322.382
Base-Backbone interact. energy: -2.445
local terms energy: -413.524618
where:
bonds (distance) C4'-P energy: -94.707
bonds (distance) P-C4' energy: -102.937
flat angles C4'-P-C4' energy: -81.879
flat angles P-C4'-P energy: -70.760
tors. eta vs tors. theta energy: -63.242
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: 5
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -813.817817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.817817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.817817 (E_RNA)
where:
Base-Base interactions energy: -436.780
where: short stacking energy: -237.565
Base-Backbone interact. energy: -0.279
local terms energy: -376.758674
where:
bonds (distance) C4'-P energy: -90.329
bonds (distance) P-C4' energy: -96.486
flat angles C4'-P-C4' energy: -93.638
flat angles P-C4'-P energy: -61.884
tors. eta vs tors. theta energy: -34.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -802.979509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.979509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.979509 (E_RNA)
where:
Base-Base interactions energy: -438.273
where: short stacking energy: -215.059
Base-Backbone interact. energy: -0.087
local terms energy: -364.619517
where:
bonds (distance) C4'-P energy: -90.489
bonds (distance) P-C4' energy: -117.124
flat angles C4'-P-C4' energy: -97.594
flat angles P-C4'-P energy: -46.804
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: 10, replica: 2
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -725.663250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.663250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.663250 (E_RNA)
where:
Base-Base interactions energy: -399.768
where: short stacking energy: -196.474
Base-Backbone interact. energy: -0.081
local terms energy: -325.813631
where:
bonds (distance) C4'-P energy: -83.174
bonds (distance) P-C4' energy: -99.023
flat angles C4'-P-C4' energy: -89.883
flat angles P-C4'-P energy: -52.505
tors. eta vs tors. theta energy: -1.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -2048.536019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.536019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.536019 (E_RNA)
where:
Base-Base interactions energy: -1420.355
where: short stacking energy: -599.114
Base-Backbone interact. energy: -2.819
local terms energy: -625.361871
where:
bonds (distance) C4'-P energy: -108.135
bonds (distance) P-C4' energy: -111.270
flat angles C4'-P-C4' energy: -135.473
flat angles P-C4'-P energy: -94.945
tors. eta vs tors. theta energy: -175.540
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: 4
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1872.635831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.635831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.635831 (E_RNA)
where:
Base-Base interactions energy: -1271.041
where: short stacking energy: -545.208
Base-Backbone interact. energy: -1.328
local terms energy: -600.267124
where:
bonds (distance) C4'-P energy: -116.235
bonds (distance) P-C4' energy: -114.240
flat angles C4'-P-C4' energy: -125.451
flat angles P-C4'-P energy: -89.646
tors. eta vs tors. theta energy: -154.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -1809.777322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.777322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.777322 (E_RNA)
where:
Base-Base interactions energy: -1236.555
where: short stacking energy: -552.977
Base-Backbone interact. energy: 0.469
local terms energy: -573.690988
where:
bonds (distance) C4'-P energy: -101.869
bonds (distance) P-C4' energy: -116.352
flat angles C4'-P-C4' energy: -124.444
flat angles P-C4'-P energy: -68.871
tors. eta vs tors. theta energy: -162.155
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: 7
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1673.221401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.221401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.221401 (E_RNA)
where:
Base-Base interactions energy: -1122.464
where: short stacking energy: -489.022
Base-Backbone interact. energy: -2.539
local terms energy: -548.217493
where:
bonds (distance) C4'-P energy: -117.165
bonds (distance) P-C4' energy: -98.509
flat angles C4'-P-C4' energy: -108.710
flat angles P-C4'-P energy: -87.873
tors. eta vs tors. theta energy: -135.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1481.712224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.712224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.712224 (E_RNA)
where:
Base-Base interactions energy: -953.281
where: short stacking energy: -414.710
Base-Backbone interact. energy: -1.647
local terms energy: -526.784189
where:
bonds (distance) C4'-P energy: -109.274
bonds (distance) P-C4' energy: -109.375
flat angles C4'-P-C4' energy: -129.847
flat angles P-C4'-P energy: -78.058
tors. eta vs tors. theta energy: -100.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1415.371811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.371811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.371811 (E_RNA)
where:
Base-Base interactions energy: -908.022
where: short stacking energy: -400.317
Base-Backbone interact. energy: -0.723
local terms energy: -506.627212
where:
bonds (distance) C4'-P energy: -104.584
bonds (distance) P-C4' energy: -95.534
flat angles C4'-P-C4' energy: -115.676
flat angles P-C4'-P energy: -80.570
tors. eta vs tors. theta energy: -110.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -1173.842200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.842200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.842200 (E_RNA)
where:
Base-Base interactions energy: -734.735
where: short stacking energy: -343.676
Base-Backbone interact. energy: -2.778
local terms energy: -436.329775
where:
bonds (distance) C4'-P energy: -103.272
bonds (distance) P-C4' energy: -96.725
flat angles C4'-P-C4' energy: -102.710
flat angles P-C4'-P energy: -63.755
tors. eta vs tors. theta energy: -69.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -872.138034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.138034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.138034 (E_RNA)
where:
Base-Base interactions energy: -504.491
where: short stacking energy: -243.479
Base-Backbone interact. energy: 1.050
local terms energy: -368.697694
where:
bonds (distance) C4'-P energy: -84.294
bonds (distance) P-C4' energy: -92.798
flat angles C4'-P-C4' energy: -96.680
flat angles P-C4'-P energy: -61.791
tors. eta vs tors. theta energy: -33.134
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: 5
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -787.029389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.029389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.029389 (E_RNA)
where:
Base-Base interactions energy: -426.122
where: short stacking energy: -225.632
Base-Backbone interact. energy: -1.142
local terms energy: -359.766258
where:
bonds (distance) C4'-P energy: -100.099
bonds (distance) P-C4' energy: -100.132
flat angles C4'-P-C4' energy: -70.432
flat angles P-C4'-P energy: -52.136
tors. eta vs tors. theta energy: -36.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -724.810089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.810089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.810089 (E_RNA)
where:
Base-Base interactions energy: -378.526
where: short stacking energy: -188.909
Base-Backbone interact. energy: -2.907
local terms energy: -343.376961
where:
bonds (distance) C4'-P energy: -87.191
bonds (distance) P-C4' energy: -104.100
flat angles C4'-P-C4' energy: -87.884
flat angles P-C4'-P energy: -53.333
tors. eta vs tors. theta energy: -10.867
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: 9
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -2039.743275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.743275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.743275 (E_RNA)
where:
Base-Base interactions energy: -1407.559
where: short stacking energy: -584.450
Base-Backbone interact. energy: -3.680
local terms energy: -628.503972
where:
bonds (distance) C4'-P energy: -120.611
bonds (distance) P-C4' energy: -114.886
flat angles C4'-P-C4' energy: -133.614
flat angles P-C4'-P energy: -84.086
tors. eta vs tors. theta energy: -175.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1866.863734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.863734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.863734 (E_RNA)
where:
Base-Base interactions energy: -1255.569
where: short stacking energy: -536.891
Base-Backbone interact. energy: -2.762
local terms energy: -608.532608
where:
bonds (distance) C4'-P energy: -118.165
bonds (distance) P-C4' energy: -105.771
flat angles C4'-P-C4' energy: -131.179
flat angles P-C4'-P energy: -91.488
tors. eta vs tors. theta energy: -161.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1813.864081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.864081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.864081 (E_RNA)
where:
Base-Base interactions energy: -1223.947
where: short stacking energy: -542.296
Base-Backbone interact. energy: -2.084
local terms energy: -587.833686
where:
bonds (distance) C4'-P energy: -112.325
bonds (distance) P-C4' energy: -109.816
flat angles C4'-P-C4' energy: -120.660
flat angles P-C4'-P energy: -84.496
tors. eta vs tors. theta energy: -160.537
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: 7
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -1720.733769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.733769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.733769 (E_RNA)
where:
Base-Base interactions energy: -1155.648
where: short stacking energy: -511.456
Base-Backbone interact. energy: -1.107
local terms energy: -563.978055
where:
bonds (distance) C4'-P energy: -112.245
bonds (distance) P-C4' energy: -114.512
flat angles C4'-P-C4' energy: -121.348
flat angles P-C4'-P energy: -75.606
tors. eta vs tors. theta energy: -140.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -1457.097033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.097033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.097033 (E_RNA)
where:
Base-Base interactions energy: -937.452
where: short stacking energy: -424.012
Base-Backbone interact. energy: -1.953
local terms energy: -517.692352
where:
bonds (distance) C4'-P energy: -123.950
bonds (distance) P-C4' energy: -110.854
flat angles C4'-P-C4' energy: -107.936
flat angles P-C4'-P energy: -80.513
tors. eta vs tors. theta energy: -94.439
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: 3
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1439.022595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.022595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.022595 (E_RNA)
where:
Base-Base interactions energy: -933.405
where: short stacking energy: -405.701
Base-Backbone interact. energy: -0.899
local terms energy: -504.718981
where:
bonds (distance) C4'-P energy: -104.464
bonds (distance) P-C4' energy: -97.279
flat angles C4'-P-C4' energy: -111.655
flat angles P-C4'-P energy: -85.765
tors. eta vs tors. theta energy: -105.555
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: 7, replica: 10
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1216.596396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.596396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.596396 (E_RNA)
where:
Base-Base interactions energy: -754.332
where: short stacking energy: -380.931
Base-Backbone interact. energy: -0.452
local terms energy: -461.812414
where:
bonds (distance) C4'-P energy: -110.934
bonds (distance) P-C4' energy: -86.221
flat angles C4'-P-C4' energy: -111.839
flat angles P-C4'-P energy: -70.008
tors. eta vs tors. theta energy: -82.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -926.591132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.591132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.591132 (E_RNA)
where:
Base-Base interactions energy: -551.173
where: short stacking energy: -261.904
Base-Backbone interact. energy: -0.513
local terms energy: -374.905808
where:
bonds (distance) C4'-P energy: -80.587
bonds (distance) P-C4' energy: -97.240
flat angles C4'-P-C4' energy: -94.987
flat angles P-C4'-P energy: -64.266
tors. eta vs tors. theta energy: -37.826
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: 2
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -704.547366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.547366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.547366 (E_RNA)
where:
Base-Base interactions energy: -363.638
where: short stacking energy: -197.308
Base-Backbone interact. energy: -1.001
local terms energy: -339.908592
where:
bonds (distance) C4'-P energy: -104.419
bonds (distance) P-C4' energy: -107.731
flat angles C4'-P-C4' energy: -69.704
flat angles P-C4'-P energy: -56.671
tors. eta vs tors. theta energy: -1.383
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: 5
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -725.202310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.202310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.202310 (E_RNA)
where:
Base-Base interactions energy: -358.581
where: short stacking energy: -174.424
Base-Backbone interact. energy: -0.444
local terms energy: -366.177696
where:
bonds (distance) C4'-P energy: -91.261
bonds (distance) P-C4' energy: -116.380
flat angles C4'-P-C4' energy: -97.480
flat angles P-C4'-P energy: -47.867
tors. eta vs tors. theta energy: -13.189
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: 9
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -2025.298352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.298352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.298352 (E_RNA)
where:
Base-Base interactions energy: -1403.942
where: short stacking energy: -582.148
Base-Backbone interact. energy: -3.201
local terms energy: -618.155135
where:
bonds (distance) C4'-P energy: -105.119
bonds (distance) P-C4' energy: -118.329
flat angles C4'-P-C4' energy: -132.738
flat angles P-C4'-P energy: -90.517
tors. eta vs tors. theta energy: -171.452
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: 133
Temperature: 0.950000
Total energy: -1904.806118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.806118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.806118 (E_RNA)
where:
Base-Base interactions energy: -1290.571
where: short stacking energy: -544.043
Base-Backbone interact. energy: -2.561
local terms energy: -611.674430
where:
bonds (distance) C4'-P energy: -111.903
bonds (distance) P-C4' energy: -113.331
flat angles C4'-P-C4' energy: -124.854
flat angles P-C4'-P energy: -88.124
tors. eta vs tors. theta energy: -173.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1780.215049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.215049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.215049 (E_RNA)
where:
Base-Base interactions energy: -1199.547
where: short stacking energy: -516.205
Base-Backbone interact. energy: 0.656
local terms energy: -581.323808
where:
bonds (distance) C4'-P energy: -104.494
bonds (distance) P-C4' energy: -115.600
flat angles C4'-P-C4' energy: -123.304
flat angles P-C4'-P energy: -81.160
tors. eta vs tors. theta energy: -156.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -1734.057768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.057768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.057768 (E_RNA)
where:
Base-Base interactions energy: -1188.076
where: short stacking energy: -501.636
Base-Backbone interact. energy: -2.068
local terms energy: -543.913690
where:
bonds (distance) C4'-P energy: -97.449
bonds (distance) P-C4' energy: -96.405
flat angles C4'-P-C4' energy: -124.982
flat angles P-C4'-P energy: -87.129
tors. eta vs tors. theta energy: -137.948
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: 5, replica: 6
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -1488.512030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.512030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.512030 (E_RNA)
where:
Base-Base interactions energy: -948.524
where: short stacking energy: -431.417
Base-Backbone interact. energy: -3.641
local terms energy: -536.347621
where:
bonds (distance) C4'-P energy: -110.777
bonds (distance) P-C4' energy: -114.601
flat angles C4'-P-C4' energy: -101.620
flat angles P-C4'-P energy: -77.999
tors. eta vs tors. theta energy: -131.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1437.642385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.642385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.642385 (E_RNA)
where:
Base-Base interactions energy: -939.210
where: short stacking energy: -394.091
Base-Backbone interact. energy: -0.945
local terms energy: -497.486808
where:
bonds (distance) C4'-P energy: -96.667
bonds (distance) P-C4' energy: -108.641
flat angles C4'-P-C4' energy: -112.669
flat angles P-C4'-P energy: -72.568
tors. eta vs tors. theta energy: -106.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1267.107486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.107486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.107486 (E_RNA)
where:
Base-Base interactions energy: -810.234
where: short stacking energy: -369.658
Base-Backbone interact. energy: 0.273
local terms energy: -457.146326
where:
bonds (distance) C4'-P energy: -93.267
bonds (distance) P-C4' energy: -99.674
flat angles C4'-P-C4' energy: -110.553
flat angles P-C4'-P energy: -66.238
tors. eta vs tors. theta energy: -87.414
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: 8, replica: 8
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -950.239373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.239373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.239373 (E_RNA)
where:
Base-Base interactions energy: -579.186
where: short stacking energy: -265.148
Base-Backbone interact. energy: -0.097
local terms energy: -370.956374
where:
bonds (distance) C4'-P energy: -92.501
bonds (distance) P-C4' energy: -101.272
flat angles C4'-P-C4' energy: -89.211
flat angles P-C4'-P energy: -55.054
tors. eta vs tors. theta energy: -32.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -736.235073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.235073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.235073 (E_RNA)
where:
Base-Base interactions energy: -365.986
where: short stacking energy: -189.494
Base-Backbone interact. energy: 1.695
local terms energy: -371.944309
where:
bonds (distance) C4'-P energy: -110.355
bonds (distance) P-C4' energy: -96.737
flat angles C4'-P-C4' energy: -84.054
flat angles P-C4'-P energy: -67.209
tors. eta vs tors. theta energy: -13.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -690.720860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.720860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.720860 (E_RNA)
where:
Base-Base interactions energy: -371.868
where: short stacking energy: -194.004
Base-Backbone interact. energy: 1.734
local terms energy: -320.587614
where:
bonds (distance) C4'-P energy: -90.494
bonds (distance) P-C4' energy: -93.951
flat angles C4'-P-C4' energy: -88.454
flat angles P-C4'-P energy: -42.566
tors. eta vs tors. theta energy: -5.123
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: 1, replica: 9
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -2015.283990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.283990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.283990 (E_RNA)
where:
Base-Base interactions energy: -1372.053
where: short stacking energy: -586.799
Base-Backbone interact. energy: -2.620
local terms energy: -640.610858
where:
bonds (distance) C4'-P energy: -128.987
bonds (distance) P-C4' energy: -121.945
flat angles C4'-P-C4' energy: -131.200
flat angles P-C4'-P energy: -88.277
tors. eta vs tors. theta energy: -170.201
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: 134
Temperature: 0.950000
Total energy: -1875.045269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.045269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.045269 (E_RNA)
where:
Base-Base interactions energy: -1270.970
where: short stacking energy: -538.920
Base-Backbone interact. energy: -0.454
local terms energy: -603.620903
where:
bonds (distance) C4'-P energy: -99.523
bonds (distance) P-C4' energy: -127.239
flat angles C4'-P-C4' energy: -139.935
flat angles P-C4'-P energy: -82.724
tors. eta vs tors. theta energy: -154.199
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: 1
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1793.254843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.254843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.254843 (E_RNA)
where:
Base-Base interactions energy: -1212.145
where: short stacking energy: -548.729
Base-Backbone interact. energy: -2.242
local terms energy: -578.867563
where:
bonds (distance) C4'-P energy: -100.721
bonds (distance) P-C4' energy: -106.401
flat angles C4'-P-C4' energy: -130.258
flat angles P-C4'-P energy: -84.884
tors. eta vs tors. theta energy: -156.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -1718.148085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.148085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.148085 (E_RNA)
where:
Base-Base interactions energy: -1138.360
where: short stacking energy: -474.283
Base-Backbone interact. energy: 2.036
local terms energy: -581.824106
where:
bonds (distance) C4'-P energy: -102.165
bonds (distance) P-C4' energy: -118.690
flat angles C4'-P-C4' energy: -109.964
flat angles P-C4'-P energy: -97.942
tors. eta vs tors. theta energy: -153.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -1531.093690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.093690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.093690 (E_RNA)
where:
Base-Base interactions energy: -1030.968
where: short stacking energy: -430.743
Base-Backbone interact. energy: -4.950
local terms energy: -495.175834
where:
bonds (distance) C4'-P energy: -98.388
bonds (distance) P-C4' energy: -96.422
flat angles C4'-P-C4' energy: -116.257
flat angles P-C4'-P energy: -65.937
tors. eta vs tors. theta energy: -118.171
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: 6
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1405.304029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.304029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.304029 (E_RNA)
where:
Base-Base interactions energy: -926.255
where: short stacking energy: -403.437
Base-Backbone interact. energy: 0.514
local terms energy: -479.563060
where:
bonds (distance) C4'-P energy: -87.644
bonds (distance) P-C4' energy: -108.653
flat angles C4'-P-C4' energy: -109.563
flat angles P-C4'-P energy: -71.443
tors. eta vs tors. theta energy: -102.259
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: 7, replica: 10
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -1234.382333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.382333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.382333 (E_RNA)
where:
Base-Base interactions energy: -789.237
where: short stacking energy: -337.985
Base-Backbone interact. energy: -5.459
local terms energy: -439.686018
where:
bonds (distance) C4'-P energy: -98.764
bonds (distance) P-C4' energy: -109.676
flat angles C4'-P-C4' energy: -103.873
flat angles P-C4'-P energy: -43.682
tors. eta vs tors. theta energy: -83.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -944.716159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.716159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.716159 (E_RNA)
where:
Base-Base interactions energy: -566.433
where: short stacking energy: -264.259
Base-Backbone interact. energy: -0.843
local terms energy: -377.440477
where:
bonds (distance) C4'-P energy: -85.312
bonds (distance) P-C4' energy: -98.168
flat angles C4'-P-C4' energy: -89.200
flat angles P-C4'-P energy: -56.990
tors. eta vs tors. theta energy: -47.770
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: 2
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -793.341456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.341456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.341456 (E_RNA)
where:
Base-Base interactions energy: -472.657
where: short stacking energy: -232.945
Base-Backbone interact. energy: 1.782
local terms energy: -322.466082
where:
bonds (distance) C4'-P energy: -96.720
bonds (distance) P-C4' energy: -85.787
flat angles C4'-P-C4' energy: -81.311
flat angles P-C4'-P energy: -56.955
tors. eta vs tors. theta energy: -1.693
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: 5
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -667.783802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.783802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.783802 (E_RNA)
where:
Base-Base interactions energy: -363.036
where: short stacking energy: -176.121
Base-Backbone interact. energy: -0.416
local terms energy: -304.331783
where:
bonds (distance) C4'-P energy: -89.167
bonds (distance) P-C4' energy: -89.338
flat angles C4'-P-C4' energy: -75.292
flat angles P-C4'-P energy: -46.855
tors. eta vs tors. theta energy: -3.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -2028.004188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.004188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.004188 (E_RNA)
where:
Base-Base interactions energy: -1382.430
where: short stacking energy: -570.345
Base-Backbone interact. energy: -0.542
local terms energy: -645.033122
where:
bonds (distance) C4'-P energy: -125.768
bonds (distance) P-C4' energy: -120.861
flat angles C4'-P-C4' energy: -138.675
flat angles P-C4'-P energy: -86.867
tors. eta vs tors. theta energy: -172.862
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: 2, replica: 4
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1926.169399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.169399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.169399 (E_RNA)
where:
Base-Base interactions energy: -1325.966
where: short stacking energy: -557.336
Base-Backbone interact. energy: -3.281
local terms energy: -596.922145
where:
bonds (distance) C4'-P energy: -107.484
bonds (distance) P-C4' energy: -122.335
flat angles C4'-P-C4' energy: -129.594
flat angles P-C4'-P energy: -79.165
tors. eta vs tors. theta energy: -158.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1791.846028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.846028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.846028 (E_RNA)
where:
Base-Base interactions energy: -1202.757
where: short stacking energy: -538.383
Base-Backbone interact. energy: -2.341
local terms energy: -586.747441
where:
bonds (distance) C4'-P energy: -104.795
bonds (distance) P-C4' energy: -114.021
flat angles C4'-P-C4' energy: -117.688
flat angles P-C4'-P energy: -91.828
tors. eta vs tors. theta energy: -158.414
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: 135
Temperature: 1.050000
Total energy: -1739.418456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.418456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.418456 (E_RNA)
where:
Base-Base interactions energy: -1177.567
where: short stacking energy: -508.291
Base-Backbone interact. energy: 1.627
local terms energy: -563.478938
where:
bonds (distance) C4'-P energy: -99.296
bonds (distance) P-C4' energy: -101.769
flat angles C4'-P-C4' energy: -130.023
flat angles P-C4'-P energy: -83.846
tors. eta vs tors. theta energy: -148.545
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: 3
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -1567.543529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.543529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.543529 (E_RNA)
where:
Base-Base interactions energy: -1050.247
where: short stacking energy: -459.069
Base-Backbone interact. energy: -2.505
local terms energy: -514.791464
where:
bonds (distance) C4'-P energy: -112.037
bonds (distance) P-C4' energy: -115.976
flat angles C4'-P-C4' energy: -109.906
flat angles P-C4'-P energy: -60.769
tors. eta vs tors. theta energy: -116.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1440.287026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.287026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.287026 (E_RNA)
where:
Base-Base interactions energy: -943.202
where: short stacking energy: -428.900
Base-Backbone interact. energy: 3.333
local terms energy: -500.417937
where:
bonds (distance) C4'-P energy: -106.126
bonds (distance) P-C4' energy: -114.464
flat angles C4'-P-C4' energy: -112.013
flat angles P-C4'-P energy: -56.867
tors. eta vs tors. theta energy: -110.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -1280.305351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.305351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.305351 (E_RNA)
where:
Base-Base interactions energy: -830.005
where: short stacking energy: -387.718
Base-Backbone interact. energy: -0.982
local terms energy: -449.318703
where:
bonds (distance) C4'-P energy: -93.436
bonds (distance) P-C4' energy: -103.826
flat angles C4'-P-C4' energy: -114.386
flat angles P-C4'-P energy: -53.812
tors. eta vs tors. theta energy: -83.858
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: 8, replica: 8
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -996.479980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.479980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.479980 (E_RNA)
where:
Base-Base interactions energy: -587.099
where: short stacking energy: -287.965
Base-Backbone interact. energy: -1.132
local terms energy: -408.248972
where:
bonds (distance) C4'-P energy: -96.948
bonds (distance) P-C4' energy: -92.762
flat angles C4'-P-C4' energy: -96.554
flat angles P-C4'-P energy: -72.597
tors. eta vs tors. theta energy: -49.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -799.360609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.360609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.360609 (E_RNA)
where:
Base-Base interactions energy: -398.669
where: short stacking energy: -207.166
Base-Backbone interact. energy: -0.902
local terms energy: -399.789874
where:
bonds (distance) C4'-P energy: -103.630
bonds (distance) P-C4' energy: -111.537
flat angles C4'-P-C4' energy: -90.041
flat angles P-C4'-P energy: -64.513
tors. eta vs tors. theta energy: -30.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -748.506710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.506710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.506710 (E_RNA)
where:
Base-Base interactions energy: -406.249
where: short stacking energy: -202.194
Base-Backbone interact. energy: -2.475
local terms energy: -339.782827
where:
bonds (distance) C4'-P energy: -86.341
bonds (distance) P-C4' energy: -113.691
flat angles C4'-P-C4' energy: -83.655
flat angles P-C4'-P energy: -38.803
tors. eta vs tors. theta energy: -17.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -2033.703102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.703102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.703102 (E_RNA)
where:
Base-Base interactions energy: -1422.150
where: short stacking energy: -587.950
Base-Backbone interact. energy: -1.556
local terms energy: -609.996635
where:
bonds (distance) C4'-P energy: -117.475
bonds (distance) P-C4' energy: -107.654
flat angles C4'-P-C4' energy: -132.642
flat angles P-C4'-P energy: -78.245
tors. eta vs tors. theta energy: -173.981
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: 2, replica: 4
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1951.141115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.141115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.141115 (E_RNA)
where:
Base-Base interactions energy: -1345.829
where: short stacking energy: -562.592
Base-Backbone interact. energy: -1.753
local terms energy: -603.559495
where:
bonds (distance) C4'-P energy: -121.406
bonds (distance) P-C4' energy: -101.502
flat angles C4'-P-C4' energy: -136.362
flat angles P-C4'-P energy: -85.028
tors. eta vs tors. theta energy: -159.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -1795.494820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.494820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.494820 (E_RNA)
where:
Base-Base interactions energy: -1230.708
where: short stacking energy: -520.792
Base-Backbone interact. energy: -3.240
local terms energy: -561.547094
where:
bonds (distance) C4'-P energy: -117.692
bonds (distance) P-C4' energy: -104.826
flat angles C4'-P-C4' energy: -103.634
flat angles P-C4'-P energy: -77.317
tors. eta vs tors. theta energy: -158.078
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: 1
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -1740.236489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.236489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.236489 (E_RNA)
where:
Base-Base interactions energy: -1158.592
where: short stacking energy: -501.940
Base-Backbone interact. energy: -1.613
local terms energy: -580.031658
where:
bonds (distance) C4'-P energy: -106.644
bonds (distance) P-C4' energy: -114.818
flat angles C4'-P-C4' energy: -131.228
flat angles P-C4'-P energy: -72.227
tors. eta vs tors. theta energy: -155.115
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: 5, replica: 3
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1553.038131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.038131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.038131 (E_RNA)
where:
Base-Base interactions energy: -1050.106
where: short stacking energy: -448.833
Base-Backbone interact. energy: -1.133
local terms energy: -501.799517
where:
bonds (distance) C4'-P energy: -114.537
bonds (distance) P-C4' energy: -98.049
flat angles C4'-P-C4' energy: -111.503
flat angles P-C4'-P energy: -67.626
tors. eta vs tors. theta energy: -110.085
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: 136
Temperature: 1.150000
Total energy: -1463.166135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.166135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.166135 (E_RNA)
where:
Base-Base interactions energy: -958.883
where: short stacking energy: -438.715
Base-Backbone interact. energy: -0.356
local terms energy: -503.926594
where:
bonds (distance) C4'-P energy: -103.162
bonds (distance) P-C4' energy: -95.204
flat angles C4'-P-C4' energy: -112.110
flat angles P-C4'-P energy: -79.717
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: 10
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1301.449107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.449107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.449107 (E_RNA)
where:
Base-Base interactions energy: -837.675
where: short stacking energy: -385.477
Base-Backbone interact. energy: -0.669
local terms energy: -463.104857
where:
bonds (distance) C4'-P energy: -95.964
bonds (distance) P-C4' energy: -104.271
flat angles C4'-P-C4' energy: -95.780
flat angles P-C4'-P energy: -80.882
tors. eta vs tors. theta energy: -86.208
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: 136
Temperature: 1.250000
Total energy: -1015.754285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.754285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.754285 (E_RNA)
where:
Base-Base interactions energy: -611.394
where: short stacking energy: -294.124
Base-Backbone interact. energy: 0.243
local terms energy: -404.603136
where:
bonds (distance) C4'-P energy: -98.154
bonds (distance) P-C4' energy: -97.377
flat angles C4'-P-C4' energy: -74.907
flat angles P-C4'-P energy: -74.540
tors. eta vs tors. theta energy: -59.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -758.744840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.744840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.744840 (E_RNA)
where:
Base-Base interactions energy: -393.439
where: short stacking energy: -219.849
Base-Backbone interact. energy: 1.972
local terms energy: -367.278509
where:
bonds (distance) C4'-P energy: -79.037
bonds (distance) P-C4' energy: -106.966
flat angles C4'-P-C4' energy: -112.914
flat angles P-C4'-P energy: -50.966
tors. eta vs tors. theta energy: -17.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -696.557894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.557894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.557894 (E_RNA)
where:
Base-Base interactions energy: -370.393
where: short stacking energy: -206.258
Base-Backbone interact. energy: -0.128
local terms energy: -326.036269
where:
bonds (distance) C4'-P energy: -79.571
bonds (distance) P-C4' energy: -101.389
flat angles C4'-P-C4' energy: -80.276
flat angles P-C4'-P energy: -45.769
tors. eta vs tors. theta energy: -19.031
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: 9
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -2029.655299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.655299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.655299 (E_RNA)
where:
Base-Base interactions energy: -1405.359
where: short stacking energy: -575.351
Base-Backbone interact. energy: -4.450
local terms energy: -619.845948
where:
bonds (distance) C4'-P energy: -110.383
bonds (distance) P-C4' energy: -122.306
flat angles C4'-P-C4' energy: -133.147
flat angles P-C4'-P energy: -85.000
tors. eta vs tors. theta energy: -169.011
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: 137
Temperature: 0.950000
Total energy: -1951.745261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.745261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.745261 (E_RNA)
where:
Base-Base interactions energy: -1326.108
where: short stacking energy: -550.341
Base-Backbone interact. energy: -4.170
local terms energy: -621.467285
where:
bonds (distance) C4'-P energy: -120.142
bonds (distance) P-C4' energy: -111.377
flat angles C4'-P-C4' energy: -129.445
flat angles P-C4'-P energy: -92.137
tors. eta vs tors. theta energy: -168.366
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: 137
Temperature: 1.000000
Total energy: -1826.934318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.934318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.934318 (E_RNA)
where:
Base-Base interactions energy: -1233.352
where: short stacking energy: -532.353
Base-Backbone interact. energy: -2.823
local terms energy: -590.758912
where:
bonds (distance) C4'-P energy: -113.034
bonds (distance) P-C4' energy: -105.820
flat angles C4'-P-C4' energy: -128.994
flat angles P-C4'-P energy: -83.649
tors. eta vs tors. theta energy: -159.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -1758.918539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.918539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.918539 (E_RNA)
where:
Base-Base interactions energy: -1187.554
where: short stacking energy: -515.033
Base-Backbone interact. energy: 1.062
local terms energy: -572.425866
where:
bonds (distance) C4'-P energy: -107.976
bonds (distance) P-C4' energy: -97.063
flat angles C4'-P-C4' energy: -119.308
flat angles P-C4'-P energy: -89.034
tors. eta vs tors. theta energy: -159.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1539.355030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.355030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.355030 (E_RNA)
where:
Base-Base interactions energy: -998.862
where: short stacking energy: -442.794
Base-Backbone interact. energy: 0.581
local terms energy: -541.073827
where:
bonds (distance) C4'-P energy: -109.358
bonds (distance) P-C4' energy: -108.347
flat angles C4'-P-C4' energy: -115.133
flat angles P-C4'-P energy: -72.826
tors. eta vs tors. theta energy: -135.409
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: 6
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1478.257244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.257244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.257244 (E_RNA)
where:
Base-Base interactions energy: -973.603
where: short stacking energy: -430.489
Base-Backbone interact. energy: -1.646
local terms energy: -503.008815
where:
bonds (distance) C4'-P energy: -102.961
bonds (distance) P-C4' energy: -100.353
flat angles C4'-P-C4' energy: -96.837
flat angles P-C4'-P energy: -74.965
tors. eta vs tors. theta energy: -127.894
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: 7, replica: 10
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1288.332515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.332515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.332515 (E_RNA)
where:
Base-Base interactions energy: -805.474
where: short stacking energy: -381.086
Base-Backbone interact. energy: -0.740
local terms energy: -482.117849
where:
bonds (distance) C4'-P energy: -117.583
bonds (distance) P-C4' energy: -98.850
flat angles C4'-P-C4' energy: -101.226
flat angles P-C4'-P energy: -69.422
tors. eta vs tors. theta energy: -95.037
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: 8, replica: 8
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -1011.272291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.272291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.272291 (E_RNA)
where:
Base-Base interactions energy: -627.282
where: short stacking energy: -277.698
Base-Backbone interact. energy: -0.044
local terms energy: -383.946183
where:
bonds (distance) C4'-P energy: -91.979
bonds (distance) P-C4' energy: -95.115
flat angles C4'-P-C4' energy: -102.174
flat angles P-C4'-P energy: -59.580
tors. eta vs tors. theta energy: -35.098
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: 2
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -765.865155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.865155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.865155 (E_RNA)
where:
Base-Base interactions energy: -431.949
where: short stacking energy: -221.875
Base-Backbone interact. energy: 1.408
local terms energy: -335.323832
where:
bonds (distance) C4'-P energy: -92.237
bonds (distance) P-C4' energy: -97.997
flat angles C4'-P-C4' energy: -91.279
flat angles P-C4'-P energy: -40.480
tors. eta vs tors. theta energy: -13.332
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: 10, replica: 5
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -715.056962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.056962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.056962 (E_RNA)
where:
Base-Base interactions energy: -372.229
where: short stacking energy: -182.585
Base-Backbone interact. energy: -2.811
local terms energy: -340.016882
where:
bonds (distance) C4'-P energy: -83.589
bonds (distance) P-C4' energy: -97.283
flat angles C4'-P-C4' energy: -88.506
flat angles P-C4'-P energy: -55.633
tors. eta vs tors. theta energy: -15.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -2031.809588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.809588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.809588 (E_RNA)
where:
Base-Base interactions energy: -1418.425
where: short stacking energy: -571.715
Base-Backbone interact. energy: -3.875
local terms energy: -609.509847
where:
bonds (distance) C4'-P energy: -118.426
bonds (distance) P-C4' energy: -104.133
flat angles C4'-P-C4' energy: -134.085
flat angles P-C4'-P energy: -85.540
tors. eta vs tors. theta energy: -167.327
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: 4
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1940.821228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.821228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.821228 (E_RNA)
where:
Base-Base interactions energy: -1324.849
where: short stacking energy: -532.357
Base-Backbone interact. energy: 2.017
local terms energy: -617.988586
where:
bonds (distance) C4'-P energy: -112.216
bonds (distance) P-C4' energy: -121.492
flat angles C4'-P-C4' energy: -130.553
flat angles P-C4'-P energy: -93.482
tors. eta vs tors. theta energy: -160.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -1808.663262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.663262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.663262 (E_RNA)
where:
Base-Base interactions energy: -1242.370
where: short stacking energy: -523.859
Base-Backbone interact. energy: 1.571
local terms energy: -567.863974
where:
bonds (distance) C4'-P energy: -106.013
bonds (distance) P-C4' energy: -111.928
flat angles C4'-P-C4' energy: -109.557
flat angles P-C4'-P energy: -76.096
tors. eta vs tors. theta energy: -164.270
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: 1
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -1794.851109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.851109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.851109 (E_RNA)
where:
Base-Base interactions energy: -1217.691
where: short stacking energy: -518.904
Base-Backbone interact. energy: -2.320
local terms energy: -574.840086
where:
bonds (distance) C4'-P energy: -101.769
bonds (distance) P-C4' energy: -116.213
flat angles C4'-P-C4' energy: -124.029
flat angles P-C4'-P energy: -70.377
tors. eta vs tors. theta energy: -162.452
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: 3
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -1566.223847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.223847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.223847 (E_RNA)
where:
Base-Base interactions energy: -1023.123
where: short stacking energy: -456.802
Base-Backbone interact. energy: -3.000
local terms energy: -540.100712
where:
bonds (distance) C4'-P energy: -96.638
bonds (distance) P-C4' energy: -118.207
flat angles C4'-P-C4' energy: -124.689
flat angles P-C4'-P energy: -72.346
tors. eta vs tors. theta energy: -128.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -1400.207887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.207887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.207887 (E_RNA)
where:
Base-Base interactions energy: -919.311
where: short stacking energy: -406.120
Base-Backbone interact. energy: -3.006
local terms energy: -477.890921
where:
bonds (distance) C4'-P energy: -76.192
bonds (distance) P-C4' energy: -108.323
flat angles C4'-P-C4' energy: -116.506
flat angles P-C4'-P energy: -71.381
tors. eta vs tors. theta energy: -105.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -1268.098372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.098372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.098372 (E_RNA)
where:
Base-Base interactions energy: -789.728
where: short stacking energy: -368.932
Base-Backbone interact. energy: -0.482
local terms energy: -477.888507
where:
bonds (distance) C4'-P energy: -106.719
bonds (distance) P-C4' energy: -109.298
flat angles C4'-P-C4' energy: -112.087
flat angles P-C4'-P energy: -73.203
tors. eta vs tors. theta energy: -76.581
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: 8, replica: 8
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -1017.230182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.230182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.230182 (E_RNA)
where:
Base-Base interactions energy: -610.585
where: short stacking energy: -296.950
Base-Backbone interact. energy: -1.906
local terms energy: -404.738722
where:
bonds (distance) C4'-P energy: -103.012
bonds (distance) P-C4' energy: -87.914
flat angles C4'-P-C4' energy: -98.814
flat angles P-C4'-P energy: -66.227
tors. eta vs tors. theta energy: -48.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -761.107103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.107103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.107103 (E_RNA)
where:
Base-Base interactions energy: -427.505
where: short stacking energy: -204.066
Base-Backbone interact. energy: 3.097
local terms energy: -336.698558
where:
bonds (distance) C4'-P energy: -89.091
bonds (distance) P-C4' energy: -92.834
flat angles C4'-P-C4' energy: -97.894
flat angles P-C4'-P energy: -41.518
tors. eta vs tors. theta energy: -15.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -719.457442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.457442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.457442 (E_RNA)
where:
Base-Base interactions energy: -399.526
where: short stacking energy: -211.486
Base-Backbone interact. energy: 2.090
local terms energy: -322.021786
where:
bonds (distance) C4'-P energy: -101.058
bonds (distance) P-C4' energy: -79.900
flat angles C4'-P-C4' energy: -83.687
flat angles P-C4'-P energy: -48.808
tors. eta vs tors. theta energy: -8.569
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: 1, replica: 9
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -2038.584817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.584817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.584817 (E_RNA)
where:
Base-Base interactions energy: -1386.949
where: short stacking energy: -592.926
Base-Backbone interact. energy: -2.066
local terms energy: -649.569916
where:
bonds (distance) C4'-P energy: -120.848
bonds (distance) P-C4' energy: -126.489
flat angles C4'-P-C4' energy: -131.746
flat angles P-C4'-P energy: -91.850
tors. eta vs tors. theta energy: -178.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1951.967740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.967740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.967740 (E_RNA)
where:
Base-Base interactions energy: -1331.493
where: short stacking energy: -565.965
Base-Backbone interact. energy: -0.394
local terms energy: -620.081342
where:
bonds (distance) C4'-P energy: -115.185
bonds (distance) P-C4' energy: -117.722
flat angles C4'-P-C4' energy: -133.953
flat angles P-C4'-P energy: -82.846
tors. eta vs tors. theta energy: -170.376
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: 7
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1769.880232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.880232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.880232 (E_RNA)
where:
Base-Base interactions energy: -1198.827
where: short stacking energy: -498.760
Base-Backbone interact. energy: 1.047
local terms energy: -572.100311
where:
bonds (distance) C4'-P energy: -104.929
bonds (distance) P-C4' energy: -113.621
flat angles C4'-P-C4' energy: -123.734
flat angles P-C4'-P energy: -82.711
tors. eta vs tors. theta energy: -147.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -1776.460488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.460488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.460488 (E_RNA)
where:
Base-Base interactions energy: -1201.339
where: short stacking energy: -518.316
Base-Backbone interact. energy: -2.348
local terms energy: -572.773548
where:
bonds (distance) C4'-P energy: -112.160
bonds (distance) P-C4' energy: -108.541
flat angles C4'-P-C4' energy: -120.955
flat angles P-C4'-P energy: -68.622
tors. eta vs tors. theta energy: -162.496
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: 3
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1529.989347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.989347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.989347 (E_RNA)
where:
Base-Base interactions energy: -976.017
where: short stacking energy: -449.014
Base-Backbone interact. energy: -0.082
local terms energy: -553.890439
where:
bonds (distance) C4'-P energy: -118.173
bonds (distance) P-C4' energy: -91.701
flat angles C4'-P-C4' energy: -128.486
flat angles P-C4'-P energy: -80.897
tors. eta vs tors. theta energy: -134.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1407.582812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.582812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.582812 (E_RNA)
where:
Base-Base interactions energy: -915.360
where: short stacking energy: -418.656
Base-Backbone interact. energy: -2.317
local terms energy: -489.905776
where:
bonds (distance) C4'-P energy: -87.062
bonds (distance) P-C4' energy: -109.588
flat angles C4'-P-C4' energy: -108.499
flat angles P-C4'-P energy: -71.735
tors. eta vs tors. theta energy: -113.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -1268.794833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.794833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.794833 (E_RNA)
where:
Base-Base interactions energy: -839.800
where: short stacking energy: -352.079
Base-Backbone interact. energy: 7.278
local terms energy: -436.273021
where:
bonds (distance) C4'-P energy: -102.297
bonds (distance) P-C4' energy: -90.946
flat angles C4'-P-C4' energy: -87.410
flat angles P-C4'-P energy: -63.881
tors. eta vs tors. theta energy: -91.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -1006.745529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.745529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.745529 (E_RNA)
where:
Base-Base interactions energy: -597.984
where: short stacking energy: -279.139
Base-Backbone interact. energy: 1.325
local terms energy: -410.086027
where:
bonds (distance) C4'-P energy: -93.112
bonds (distance) P-C4' energy: -102.722
flat angles C4'-P-C4' energy: -98.570
flat angles P-C4'-P energy: -78.605
tors. eta vs tors. theta energy: -37.077
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: 9, replica: 5
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -758.024916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.024916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.024916 (E_RNA)
where:
Base-Base interactions energy: -382.437
where: short stacking energy: -190.764
Base-Backbone interact. energy: -1.129
local terms energy: -374.458957
where:
bonds (distance) C4'-P energy: -88.162
bonds (distance) P-C4' energy: -94.861
flat angles C4'-P-C4' energy: -92.297
flat angles P-C4'-P energy: -67.188
tors. eta vs tors. theta energy: -31.951
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: 2
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -676.894033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.894033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.894033 (E_RNA)
where:
Base-Base interactions energy: -360.583
where: short stacking energy: -176.090
Base-Backbone interact. energy: 3.599
local terms energy: -319.910867
where:
bonds (distance) C4'-P energy: -91.998
bonds (distance) P-C4' energy: -96.685
flat angles C4'-P-C4' energy: -71.140
flat angles P-C4'-P energy: -50.249
tors. eta vs tors. theta energy: -9.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -2040.344173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.344173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.344173 (E_RNA)
where:
Base-Base interactions energy: -1406.508
where: short stacking energy: -580.969
Base-Backbone interact. energy: -1.369
local terms energy: -632.467570
where:
bonds (distance) C4'-P energy: -110.536
bonds (distance) P-C4' energy: -111.669
flat angles C4'-P-C4' energy: -139.385
flat angles P-C4'-P energy: -91.906
tors. eta vs tors. theta energy: -178.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1945.712623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.712623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.712623 (E_RNA)
where:
Base-Base interactions energy: -1318.262
where: short stacking energy: -543.294
Base-Backbone interact. energy: 1.279
local terms energy: -628.729827
where:
bonds (distance) C4'-P energy: -123.852
bonds (distance) P-C4' energy: -117.407
flat angles C4'-P-C4' energy: -138.763
flat angles P-C4'-P energy: -85.804
tors. eta vs tors. theta energy: -162.905
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: 1
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1823.499860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.499860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.499860 (E_RNA)
where:
Base-Base interactions energy: -1205.951
where: short stacking energy: -505.548
Base-Backbone interact. energy: -1.272
local terms energy: -616.276531
where:
bonds (distance) C4'-P energy: -114.323
bonds (distance) P-C4' energy: -117.749
flat angles C4'-P-C4' energy: -132.507
flat angles P-C4'-P energy: -100.054
tors. eta vs tors. theta energy: -151.644
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: 7
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -1752.559607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.559607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.559607 (E_RNA)
where:
Base-Base interactions energy: -1190.659
where: short stacking energy: -513.032
Base-Backbone interact. energy: -3.179
local terms energy: -558.721438
where:
bonds (distance) C4'-P energy: -103.822
bonds (distance) P-C4' energy: -97.037
flat angles C4'-P-C4' energy: -116.671
flat angles P-C4'-P energy: -86.859
tors. eta vs tors. theta energy: -154.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1588.603779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.603779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.603779 (E_RNA)
where:
Base-Base interactions energy: -1045.242
where: short stacking energy: -454.928
Base-Backbone interact. energy: 0.378
local terms energy: -543.739125
where:
bonds (distance) C4'-P energy: -117.501
bonds (distance) P-C4' energy: -87.153
flat angles C4'-P-C4' energy: -119.034
flat angles P-C4'-P energy: -79.082
tors. eta vs tors. theta energy: -140.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1344.907936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.907936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.907936 (E_RNA)
where:
Base-Base interactions energy: -838.853
where: short stacking energy: -418.999
Base-Backbone interact. energy: -1.666
local terms energy: -504.389845
where:
bonds (distance) C4'-P energy: -109.664
bonds (distance) P-C4' energy: -107.479
flat angles C4'-P-C4' energy: -113.389
flat angles P-C4'-P energy: -73.907
tors. eta vs tors. theta energy: -99.952
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: 10
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -1311.367919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.367919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.367919 (E_RNA)
where:
Base-Base interactions energy: -842.828
where: short stacking energy: -369.864
Base-Backbone interact. energy: -0.046
local terms energy: -468.493959
where:
bonds (distance) C4'-P energy: -102.070
bonds (distance) P-C4' energy: -103.325
flat angles C4'-P-C4' energy: -105.525
flat angles P-C4'-P energy: -70.138
tors. eta vs tors. theta energy: -87.435
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: 8
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -1006.802112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.802112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.802112 (E_RNA)
where:
Base-Base interactions energy: -603.628
where: short stacking energy: -287.961
Base-Backbone interact. energy: -2.451
local terms energy: -400.722776
where:
bonds (distance) C4'-P energy: -102.423
bonds (distance) P-C4' energy: -114.433
flat angles C4'-P-C4' energy: -77.297
flat angles P-C4'-P energy: -57.779
tors. eta vs tors. theta energy: -48.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -772.722840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.722840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.722840 (E_RNA)
where:
Base-Base interactions energy: -423.566
where: short stacking energy: -202.144
Base-Backbone interact. energy: 5.259
local terms energy: -354.415772
where:
bonds (distance) C4'-P energy: -90.422
bonds (distance) P-C4' energy: -93.826
flat angles C4'-P-C4' energy: -79.090
flat angles P-C4'-P energy: -60.110
tors. eta vs tors. theta energy: -30.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -678.362658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.362658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.362658 (E_RNA)
where:
Base-Base interactions energy: -345.567
where: short stacking energy: -179.837
Base-Backbone interact. energy: 0.321
local terms energy: -333.116232
where:
bonds (distance) C4'-P energy: -87.490
bonds (distance) P-C4' energy: -109.981
flat angles C4'-P-C4' energy: -82.691
flat angles P-C4'-P energy: -57.524
tors. eta vs tors. theta energy: 4.569
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: 1, replica: 9
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -2021.545130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.545130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.545130 (E_RNA)
where:
Base-Base interactions energy: -1392.826
where: short stacking energy: -588.750
Base-Backbone interact. energy: -5.031
local terms energy: -623.688461
where:
bonds (distance) C4'-P energy: -121.025
bonds (distance) P-C4' energy: -103.565
flat angles C4'-P-C4' energy: -131.188
flat angles P-C4'-P energy: -87.907
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: 4
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1995.758635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.758635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.758635 (E_RNA)
where:
Base-Base interactions energy: -1361.554
where: short stacking energy: -563.210
Base-Backbone interact. energy: -3.532
local terms energy: -630.672188
where:
bonds (distance) C4'-P energy: -108.623
bonds (distance) P-C4' energy: -117.032
flat angles C4'-P-C4' energy: -140.081
flat angles P-C4'-P energy: -89.429
tors. eta vs tors. theta energy: -175.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -1823.076549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.076549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.076549 (E_RNA)
where:
Base-Base interactions energy: -1214.997
where: short stacking energy: -526.963
Base-Backbone interact. energy: 2.142
local terms energy: -610.221743
where:
bonds (distance) C4'-P energy: -107.756
bonds (distance) P-C4' energy: -105.660
flat angles C4'-P-C4' energy: -137.642
flat angles P-C4'-P energy: -95.483
tors. eta vs tors. theta energy: -163.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1752.044430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.044430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.044430 (E_RNA)
where:
Base-Base interactions energy: -1185.055
where: short stacking energy: -518.491
Base-Backbone interact. energy: -3.148
local terms energy: -563.841104
where:
bonds (distance) C4'-P energy: -97.812
bonds (distance) P-C4' energy: -114.191
flat angles C4'-P-C4' energy: -122.084
flat angles P-C4'-P energy: -83.810
tors. eta vs tors. theta energy: -145.944
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: 5, replica: 3
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1565.868659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.868659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.868659 (E_RNA)
where:
Base-Base interactions energy: -1043.560
where: short stacking energy: -450.323
Base-Backbone interact. energy: 3.803
local terms energy: -526.112102
where:
bonds (distance) C4'-P energy: -102.730
bonds (distance) P-C4' energy: -108.282
flat angles C4'-P-C4' energy: -128.294
flat angles P-C4'-P energy: -67.938
tors. eta vs tors. theta energy: -118.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1387.317883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.317883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.317883 (E_RNA)
where:
Base-Base interactions energy: -888.190
where: short stacking energy: -397.394
Base-Backbone interact. energy: -2.315
local terms energy: -496.812726
where:
bonds (distance) C4'-P energy: -110.759
bonds (distance) P-C4' energy: -110.005
flat angles C4'-P-C4' energy: -95.442
flat angles P-C4'-P energy: -64.213
tors. eta vs tors. theta energy: -116.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -1254.264793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.264793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.264793 (E_RNA)
where:
Base-Base interactions energy: -797.860
where: short stacking energy: -330.800
Base-Backbone interact. energy: 0.554
local terms energy: -456.959302
where:
bonds (distance) C4'-P energy: -100.752
bonds (distance) P-C4' energy: -116.199
flat angles C4'-P-C4' energy: -100.162
flat angles P-C4'-P energy: -69.452
tors. eta vs tors. theta energy: -70.395
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: 8, replica: 8
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -991.429486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.429486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.429486 (E_RNA)
where:
Base-Base interactions energy: -604.747
where: short stacking energy: -285.678
Base-Backbone interact. energy: -0.570
local terms energy: -386.111909
where:
bonds (distance) C4'-P energy: -94.470
bonds (distance) P-C4' energy: -98.919
flat angles C4'-P-C4' energy: -105.141
flat angles P-C4'-P energy: -46.478
tors. eta vs tors. theta energy: -41.104
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: 9, replica: 5
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -804.538008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.538008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.538008 (E_RNA)
where:
Base-Base interactions energy: -436.186
where: short stacking energy: -216.629
Base-Backbone interact. energy: -1.024
local terms energy: -367.328542
where:
bonds (distance) C4'-P energy: -89.349
bonds (distance) P-C4' energy: -107.491
flat angles C4'-P-C4' energy: -99.674
flat angles P-C4'-P energy: -46.365
tors. eta vs tors. theta energy: -24.450
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: 2
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -670.971069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.971069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.971069 (E_RNA)
where:
Base-Base interactions energy: -361.120
where: short stacking energy: -164.533
Base-Backbone interact. energy: -1.017
local terms energy: -308.834930
where:
bonds (distance) C4'-P energy: -83.948
bonds (distance) P-C4' energy: -105.326
flat angles C4'-P-C4' energy: -64.695
flat angles P-C4'-P energy: -47.008
tors. eta vs tors. theta energy: -7.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -2062.231853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.231853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.231853 (E_RNA)
where:
Base-Base interactions energy: -1419.547
where: short stacking energy: -581.294
Base-Backbone interact. energy: -4.099
local terms energy: -638.585951
where:
bonds (distance) C4'-P energy: -117.228
bonds (distance) P-C4' energy: -115.450
flat angles C4'-P-C4' energy: -131.690
flat angles P-C4'-P energy: -94.961
tors. eta vs tors. theta energy: -179.258
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: 142
Temperature: 0.950000
Total energy: -1955.167125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.167125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.167125 (E_RNA)
where:
Base-Base interactions energy: -1340.093
where: short stacking energy: -538.871
Base-Backbone interact. energy: -2.857
local terms energy: -612.217179
where:
bonds (distance) C4'-P energy: -120.208
bonds (distance) P-C4' energy: -114.585
flat angles C4'-P-C4' energy: -126.688
flat angles P-C4'-P energy: -96.219
tors. eta vs tors. theta energy: -154.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1829.525009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.525009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.525009 (E_RNA)
where:
Base-Base interactions energy: -1262.397
where: short stacking energy: -518.852
Base-Backbone interact. energy: 1.034
local terms energy: -568.162292
where:
bonds (distance) C4'-P energy: -101.707
bonds (distance) P-C4' energy: -117.985
flat angles C4'-P-C4' energy: -106.557
flat angles P-C4'-P energy: -87.680
tors. eta vs tors. theta energy: -154.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -1792.187694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.187694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.187694 (E_RNA)
where:
Base-Base interactions energy: -1233.510
where: short stacking energy: -540.247
Base-Backbone interact. energy: -5.877
local terms energy: -552.800756
where:
bonds (distance) C4'-P energy: -85.858
bonds (distance) P-C4' energy: -123.202
flat angles C4'-P-C4' energy: -121.481
flat angles P-C4'-P energy: -66.520
tors. eta vs tors. theta energy: -155.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1527.736476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.736476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.736476 (E_RNA)
where:
Base-Base interactions energy: -1012.600
where: short stacking energy: -449.014
Base-Backbone interact. energy: -3.201
local terms energy: -511.935805
where:
bonds (distance) C4'-P energy: -104.837
bonds (distance) P-C4' energy: -108.028
flat angles C4'-P-C4' energy: -106.648
flat angles P-C4'-P energy: -78.801
tors. eta vs tors. theta energy: -113.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1353.169417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.169417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.169417 (E_RNA)
where:
Base-Base interactions energy: -861.433
where: short stacking energy: -395.652
Base-Backbone interact. energy: 0.252
local terms energy: -491.988368
where:
bonds (distance) C4'-P energy: -94.112
bonds (distance) P-C4' energy: -117.148
flat angles C4'-P-C4' energy: -104.884
flat angles P-C4'-P energy: -64.152
tors. eta vs tors. theta energy: -111.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1315.617606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.617606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.617606 (E_RNA)
where:
Base-Base interactions energy: -859.204
where: short stacking energy: -386.373
Base-Backbone interact. energy: -2.697
local terms energy: -453.715835
where:
bonds (distance) C4'-P energy: -108.663
bonds (distance) P-C4' energy: -82.214
flat angles C4'-P-C4' energy: -115.821
flat angles P-C4'-P energy: -68.123
tors. eta vs tors. theta energy: -78.894
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: 8
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -1060.627685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.627685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.627685 (E_RNA)
where:
Base-Base interactions energy: -680.907
where: short stacking energy: -304.279
Base-Backbone interact. energy: -0.114
local terms energy: -379.607528
where:
bonds (distance) C4'-P energy: -98.741
bonds (distance) P-C4' energy: -101.261
flat angles C4'-P-C4' energy: -81.329
flat angles P-C4'-P energy: -52.574
tors. eta vs tors. theta energy: -45.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -783.481248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.481248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.481248 (E_RNA)
where:
Base-Base interactions energy: -424.865
where: short stacking energy: -212.899
Base-Backbone interact. energy: 1.005
local terms energy: -359.620967
where:
bonds (distance) C4'-P energy: -83.853
bonds (distance) P-C4' energy: -98.004
flat angles C4'-P-C4' energy: -96.661
flat angles P-C4'-P energy: -54.542
tors. eta vs tors. theta energy: -26.561
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: 2
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -704.663926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.663926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.663926 (E_RNA)
where:
Base-Base interactions energy: -378.839
where: short stacking energy: -170.536
Base-Backbone interact. energy: 0.444
local terms energy: -326.269659
where:
bonds (distance) C4'-P energy: -74.090
bonds (distance) P-C4' energy: -103.327
flat angles C4'-P-C4' energy: -83.419
flat angles P-C4'-P energy: -55.859
tors. eta vs tors. theta energy: -9.575
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: 9
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -2062.042237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.042237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.042237 (E_RNA)
where:
Base-Base interactions energy: -1438.470
where: short stacking energy: -589.762
Base-Backbone interact. energy: -5.513
local terms energy: -618.058727
where:
bonds (distance) C4'-P energy: -107.991
bonds (distance) P-C4' energy: -115.465
flat angles C4'-P-C4' energy: -135.688
flat angles P-C4'-P energy: -81.709
tors. eta vs tors. theta energy: -177.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1976.790834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.790834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.790834 (E_RNA)
where:
Base-Base interactions energy: -1353.386
where: short stacking energy: -540.213
Base-Backbone interact. energy: -3.316
local terms energy: -620.088868
where:
bonds (distance) C4'-P energy: -116.903
bonds (distance) P-C4' energy: -102.479
flat angles C4'-P-C4' energy: -135.357
flat angles P-C4'-P energy: -104.665
tors. eta vs tors. theta energy: -160.685
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: 1
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1883.671020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.671020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.671020 (E_RNA)
where:
Base-Base interactions energy: -1273.937
where: short stacking energy: -557.436
Base-Backbone interact. energy: 3.510
local terms energy: -613.244194
where:
bonds (distance) C4'-P energy: -108.774
bonds (distance) P-C4' energy: -118.672
flat angles C4'-P-C4' energy: -134.587
flat angles P-C4'-P energy: -78.908
tors. eta vs tors. theta energy: -172.303
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: 143
Temperature: 1.050000
Total energy: -1762.475660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.475660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.475660 (E_RNA)
where:
Base-Base interactions energy: -1170.901
where: short stacking energy: -518.416
Base-Backbone interact. energy: -3.397
local terms energy: -588.177335
where:
bonds (distance) C4'-P energy: -120.608
bonds (distance) P-C4' energy: -106.735
flat angles C4'-P-C4' energy: -112.748
flat angles P-C4'-P energy: -88.384
tors. eta vs tors. theta energy: -159.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1552.262588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.262588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.262588 (E_RNA)
where:
Base-Base interactions energy: -1038.632
where: short stacking energy: -455.593
Base-Backbone interact. energy: -1.440
local terms energy: -512.190295
where:
bonds (distance) C4'-P energy: -102.860
bonds (distance) P-C4' energy: -104.794
flat angles C4'-P-C4' energy: -121.220
flat angles P-C4'-P energy: -74.931
tors. eta vs tors. theta energy: -108.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1357.924232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.924232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.924232 (E_RNA)
where:
Base-Base interactions energy: -887.454
where: short stacking energy: -404.869
Base-Backbone interact. energy: -1.152
local terms energy: -469.318460
where:
bonds (distance) C4'-P energy: -111.384
bonds (distance) P-C4' energy: -84.203
flat angles C4'-P-C4' energy: -109.682
flat angles P-C4'-P energy: -70.752
tors. eta vs tors. theta energy: -93.296
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: 7, replica: 10
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1327.699093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.699093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.699093 (E_RNA)
where:
Base-Base interactions energy: -863.613
where: short stacking energy: -375.132
Base-Backbone interact. energy: -1.780
local terms energy: -462.306207
where:
bonds (distance) C4'-P energy: -112.338
bonds (distance) P-C4' energy: -90.969
flat angles C4'-P-C4' energy: -99.730
flat angles P-C4'-P energy: -69.803
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: 8, replica: 8
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -1059.279364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.279364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.279364 (E_RNA)
where:
Base-Base interactions energy: -636.552
where: short stacking energy: -290.698
Base-Backbone interact. energy: -1.097
local terms energy: -421.630601
where:
bonds (distance) C4'-P energy: -97.548
bonds (distance) P-C4' energy: -119.340
flat angles C4'-P-C4' energy: -91.386
flat angles P-C4'-P energy: -58.610
tors. eta vs tors. theta energy: -54.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -774.847776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.847776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.847776 (E_RNA)
where:
Base-Base interactions energy: -420.989
where: short stacking energy: -213.630
Base-Backbone interact. energy: 0.035
local terms energy: -353.893215
where:
bonds (distance) C4'-P energy: -67.970
bonds (distance) P-C4' energy: -101.302
flat angles C4'-P-C4' energy: -96.520
flat angles P-C4'-P energy: -60.384
tors. eta vs tors. theta energy: -27.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -671.510159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.510159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.510159 (E_RNA)
where:
Base-Base interactions energy: -358.209
where: short stacking energy: -204.809
Base-Backbone interact. energy: 0.643
local terms energy: -313.943839
where:
bonds (distance) C4'-P energy: -92.484
bonds (distance) P-C4' energy: -95.071
flat angles C4'-P-C4' energy: -84.695
flat angles P-C4'-P energy: -39.282
tors. eta vs tors. theta energy: -2.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -2041.691286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.691286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.691286 (E_RNA)
where:
Base-Base interactions energy: -1399.019
where: short stacking energy: -583.794
Base-Backbone interact. energy: -0.306
local terms energy: -642.367232
where:
bonds (distance) C4'-P energy: -118.243
bonds (distance) P-C4' energy: -122.638
flat angles C4'-P-C4' energy: -136.950
flat angles P-C4'-P energy: -85.613
tors. eta vs tors. theta energy: -178.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1958.622795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.622795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.622795 (E_RNA)
where:
Base-Base interactions energy: -1367.079
where: short stacking energy: -552.877
Base-Backbone interact. energy: -1.914
local terms energy: -589.630302
where:
bonds (distance) C4'-P energy: -104.963
bonds (distance) P-C4' energy: -108.340
flat angles C4'-P-C4' energy: -132.679
flat angles P-C4'-P energy: -81.920
tors. eta vs tors. theta energy: -161.728
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: 1
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -1847.575701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.575701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.575701 (E_RNA)
where:
Base-Base interactions energy: -1242.139
where: short stacking energy: -534.879
Base-Backbone interact. energy: -2.258
local terms energy: -603.178321
where:
bonds (distance) C4'-P energy: -108.060
bonds (distance) P-C4' energy: -108.522
flat angles C4'-P-C4' energy: -138.711
flat angles P-C4'-P energy: -84.271
tors. eta vs tors. theta energy: -163.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -1727.403526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.403526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.403526 (E_RNA)
where:
Base-Base interactions energy: -1185.762
where: short stacking energy: -507.240
Base-Backbone interact. energy: -2.435
local terms energy: -539.206201
where:
bonds (distance) C4'-P energy: -112.939
bonds (distance) P-C4' energy: -100.069
flat angles C4'-P-C4' energy: -110.483
flat angles P-C4'-P energy: -76.453
tors. eta vs tors. theta energy: -139.261
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: 3
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1580.962495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.962495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.962495 (E_RNA)
where:
Base-Base interactions energy: -1070.739
where: short stacking energy: -459.096
Base-Backbone interact. energy: 0.627
local terms energy: -510.850830
where:
bonds (distance) C4'-P energy: -87.222
bonds (distance) P-C4' energy: -100.891
flat angles C4'-P-C4' energy: -123.917
flat angles P-C4'-P energy: -69.955
tors. eta vs tors. theta energy: -128.865
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: 6
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -1370.351361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.351361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.351361 (E_RNA)
where:
Base-Base interactions energy: -870.160
where: short stacking energy: -371.021
Base-Backbone interact. energy: -3.832
local terms energy: -496.359217
where:
bonds (distance) C4'-P energy: -104.849
bonds (distance) P-C4' energy: -108.863
flat angles C4'-P-C4' energy: -110.186
flat angles P-C4'-P energy: -74.408
tors. eta vs tors. theta energy: -98.054
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: 10
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1392.836261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.836261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.836261 (E_RNA)
where:
Base-Base interactions energy: -897.841
where: short stacking energy: -404.349
Base-Backbone interact. energy: 1.740
local terms energy: -496.735000
where:
bonds (distance) C4'-P energy: -92.049
bonds (distance) P-C4' energy: -103.210
flat angles C4'-P-C4' energy: -108.516
flat angles P-C4'-P energy: -79.898
tors. eta vs tors. theta energy: -113.061
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: 8
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -1085.093409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.093409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.093409 (E_RNA)
where:
Base-Base interactions energy: -685.676
where: short stacking energy: -319.987
Base-Backbone interact. energy: -0.951
local terms energy: -398.466134
where:
bonds (distance) C4'-P energy: -91.394
bonds (distance) P-C4' energy: -103.963
flat angles C4'-P-C4' energy: -94.100
flat angles P-C4'-P energy: -62.307
tors. eta vs tors. theta energy: -46.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -768.670988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.670988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.670988 (E_RNA)
where:
Base-Base interactions energy: -426.448
where: short stacking energy: -225.696
Base-Backbone interact. energy: -0.497
local terms energy: -341.726647
where:
bonds (distance) C4'-P energy: -112.946
bonds (distance) P-C4' energy: -93.776
flat angles C4'-P-C4' energy: -84.028
flat angles P-C4'-P energy: -26.318
tors. eta vs tors. theta energy: -24.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -679.539508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.539508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.539508 (E_RNA)
where:
Base-Base interactions energy: -354.370
where: short stacking energy: -217.457
Base-Backbone interact. energy: -3.368
local terms energy: -321.801095
where:
bonds (distance) C4'-P energy: -106.907
bonds (distance) P-C4' energy: -79.001
flat angles C4'-P-C4' energy: -72.339
flat angles P-C4'-P energy: -40.543
tors. eta vs tors. theta energy: -23.011
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: 9
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -2039.916677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.916677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.916677 (E_RNA)
where:
Base-Base interactions energy: -1387.552
where: short stacking energy: -573.864
Base-Backbone interact. energy: -0.778
local terms energy: -651.586831
where:
bonds (distance) C4'-P energy: -118.313
bonds (distance) P-C4' energy: -130.711
flat angles C4'-P-C4' energy: -133.980
flat angles P-C4'-P energy: -93.926
tors. eta vs tors. theta energy: -174.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1963.936189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.936189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.936189 (E_RNA)
where:
Base-Base interactions energy: -1346.964
where: short stacking energy: -553.912
Base-Backbone interact. energy: -0.896
local terms energy: -616.076117
where:
bonds (distance) C4'-P energy: -123.745
bonds (distance) P-C4' energy: -110.145
flat angles C4'-P-C4' energy: -125.245
flat angles P-C4'-P energy: -96.276
tors. eta vs tors. theta energy: -160.666
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: 1
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1822.589326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.589326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.589326 (E_RNA)
where:
Base-Base interactions energy: -1246.801
where: short stacking energy: -540.391
Base-Backbone interact. energy: -1.404
local terms energy: -574.384515
where:
bonds (distance) C4'-P energy: -102.007
bonds (distance) P-C4' energy: -105.153
flat angles C4'-P-C4' energy: -118.804
flat angles P-C4'-P energy: -75.385
tors. eta vs tors. theta energy: -173.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1737.034211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.034211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.034211 (E_RNA)
where:
Base-Base interactions energy: -1143.621
where: short stacking energy: -521.015
Base-Backbone interact. energy: -1.174
local terms energy: -592.239698
where:
bonds (distance) C4'-P energy: -125.658
bonds (distance) P-C4' energy: -99.708
flat angles C4'-P-C4' energy: -122.791
flat angles P-C4'-P energy: -86.209
tors. eta vs tors. theta energy: -157.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -1589.687330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.687330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.687330 (E_RNA)
where:
Base-Base interactions energy: -1059.325
where: short stacking energy: -453.705
Base-Backbone interact. energy: -2.569
local terms energy: -527.793649
where:
bonds (distance) C4'-P energy: -93.165
bonds (distance) P-C4' energy: -114.558
flat angles C4'-P-C4' energy: -121.183
flat angles P-C4'-P energy: -82.036
tors. eta vs tors. theta energy: -116.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -1383.234050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.234050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.234050 (E_RNA)
where:
Base-Base interactions energy: -902.953
where: short stacking energy: -401.481
Base-Backbone interact. energy: -1.342
local terms energy: -478.938655
where:
bonds (distance) C4'-P energy: -88.432
bonds (distance) P-C4' energy: -89.028
flat angles C4'-P-C4' energy: -119.249
flat angles P-C4'-P energy: -71.740
tors. eta vs tors. theta energy: -110.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -1362.572319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.572319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.572319 (E_RNA)
where:
Base-Base interactions energy: -879.313
where: short stacking energy: -389.198
Base-Backbone interact. energy: -0.299
local terms energy: -482.961130
where:
bonds (distance) C4'-P energy: -104.462
bonds (distance) P-C4' energy: -96.438
flat angles C4'-P-C4' energy: -105.664
flat angles P-C4'-P energy: -81.733
tors. eta vs tors. theta energy: -94.664
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: 8
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -1093.228884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.228884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.228884 (E_RNA)
where:
Base-Base interactions energy: -687.351
where: short stacking energy: -307.367
Base-Backbone interact. energy: -1.250
local terms energy: -404.628376
where:
bonds (distance) C4'-P energy: -87.079
bonds (distance) P-C4' energy: -92.192
flat angles C4'-P-C4' energy: -97.566
flat angles P-C4'-P energy: -61.026
tors. eta vs tors. theta energy: -66.766
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: 9, replica: 5
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -761.223521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.223521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.223521 (E_RNA)
where:
Base-Base interactions energy: -427.590
where: short stacking energy: -232.799
Base-Backbone interact. energy: -0.781
local terms energy: -332.851827
where:
bonds (distance) C4'-P energy: -76.541
bonds (distance) P-C4' energy: -102.078
flat angles C4'-P-C4' energy: -93.838
flat angles P-C4'-P energy: -41.808
tors. eta vs tors. theta energy: -18.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -648.095646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.095646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.095646 (E_RNA)
where:
Base-Base interactions energy: -331.932
where: short stacking energy: -180.028
Base-Backbone interact. energy: 1.291
local terms energy: -317.453928
where:
bonds (distance) C4'-P energy: -85.141
bonds (distance) P-C4' energy: -98.959
flat angles C4'-P-C4' energy: -83.620
flat angles P-C4'-P energy: -61.279
tors. eta vs tors. theta energy: 11.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -2014.959835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.959835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.959835 (E_RNA)
where:
Base-Base interactions energy: -1398.534
where: short stacking energy: -578.144
Base-Backbone interact. energy: -1.692
local terms energy: -614.733796
where:
bonds (distance) C4'-P energy: -113.795
bonds (distance) P-C4' energy: -108.285
flat angles C4'-P-C4' energy: -131.955
flat angles P-C4'-P energy: -86.252
tors. eta vs tors. theta energy: -174.448
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: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1952.260774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.260774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.260774 (E_RNA)
where:
Base-Base interactions energy: -1338.084
where: short stacking energy: -549.609
Base-Backbone interact. energy: -4.975
local terms energy: -609.202387
where:
bonds (distance) C4'-P energy: -108.597
bonds (distance) P-C4' energy: -114.314
flat angles C4'-P-C4' energy: -126.785
flat angles P-C4'-P energy: -88.211
tors. eta vs tors. theta energy: -171.296
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: 1
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -1812.125334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.125334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.125334 (E_RNA)
where:
Base-Base interactions energy: -1221.886
where: short stacking energy: -532.822
Base-Backbone interact. energy: -2.824
local terms energy: -587.415306
where:
bonds (distance) C4'-P energy: -103.720
bonds (distance) P-C4' energy: -114.728
flat angles C4'-P-C4' energy: -118.491
flat angles P-C4'-P energy: -84.183
tors. eta vs tors. theta energy: -166.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -1748.262473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.262473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.262473 (E_RNA)
where:
Base-Base interactions energy: -1184.406
where: short stacking energy: -484.826
Base-Backbone interact. energy: -2.445
local terms energy: -561.411582
where:
bonds (distance) C4'-P energy: -108.139
bonds (distance) P-C4' energy: -118.407
flat angles C4'-P-C4' energy: -118.629
flat angles P-C4'-P energy: -70.535
tors. eta vs tors. theta energy: -145.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1645.492197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.492197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.492197 (E_RNA)
where:
Base-Base interactions energy: -1116.792
where: short stacking energy: -459.400
Base-Backbone interact. energy: -4.147
local terms energy: -524.553434
where:
bonds (distance) C4'-P energy: -102.466
bonds (distance) P-C4' energy: -109.397
flat angles C4'-P-C4' energy: -120.735
flat angles P-C4'-P energy: -76.237
tors. eta vs tors. theta energy: -115.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1409.746772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.746772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.746772 (E_RNA)
where:
Base-Base interactions energy: -913.379
where: short stacking energy: -389.702
Base-Backbone interact. energy: 6.052
local terms energy: -502.419552
where:
bonds (distance) C4'-P energy: -101.417
bonds (distance) P-C4' energy: -99.113
flat angles C4'-P-C4' energy: -111.767
flat angles P-C4'-P energy: -86.293
tors. eta vs tors. theta energy: -103.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -1355.759906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.759906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.759906 (E_RNA)
where:
Base-Base interactions energy: -903.011
where: short stacking energy: -399.092
Base-Backbone interact. energy: 1.275
local terms energy: -454.023586
where:
bonds (distance) C4'-P energy: -90.654
bonds (distance) P-C4' energy: -94.545
flat angles C4'-P-C4' energy: -101.891
flat angles P-C4'-P energy: -66.598
tors. eta vs tors. theta energy: -100.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -1047.031005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.031005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.031005 (E_RNA)
where:
Base-Base interactions energy: -670.451
where: short stacking energy: -298.101
Base-Backbone interact. energy: -2.694
local terms energy: -373.886493
where:
bonds (distance) C4'-P energy: -90.751
bonds (distance) P-C4' energy: -90.049
flat angles C4'-P-C4' energy: -83.902
flat angles P-C4'-P energy: -65.339
tors. eta vs tors. theta energy: -43.846
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: 9, replica: 5
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -798.154228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.154228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.154228 (E_RNA)
where:
Base-Base interactions energy: -416.373
where: short stacking energy: -212.074
Base-Backbone interact. energy: -2.163
local terms energy: -379.618261
where:
bonds (distance) C4'-P energy: -89.109
bonds (distance) P-C4' energy: -115.685
flat angles C4'-P-C4' energy: -93.828
flat angles P-C4'-P energy: -63.113
tors. eta vs tors. theta energy: -17.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -665.772571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.772571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.772571 (E_RNA)
where:
Base-Base interactions energy: -322.823
where: short stacking energy: -170.698
Base-Backbone interact. energy: 6.029
local terms energy: -348.978228
where:
bonds (distance) C4'-P energy: -94.128
bonds (distance) P-C4' energy: -104.557
flat angles C4'-P-C4' energy: -88.943
flat angles P-C4'-P energy: -59.070
tors. eta vs tors. theta energy: -2.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -2054.325992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.325992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.325992 (E_RNA)
where:
Base-Base interactions energy: -1416.993
where: short stacking energy: -572.282
Base-Backbone interact. energy: -1.911
local terms energy: -635.421923
where:
bonds (distance) C4'-P energy: -120.853
bonds (distance) P-C4' energy: -117.332
flat angles C4'-P-C4' energy: -139.462
flat angles P-C4'-P energy: -87.260
tors. eta vs tors. theta energy: -170.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1939.937098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.937098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.937098 (E_RNA)
where:
Base-Base interactions energy: -1323.418
where: short stacking energy: -545.897
Base-Backbone interact. energy: -0.383
local terms energy: -616.136537
where:
bonds (distance) C4'-P energy: -109.187
bonds (distance) P-C4' energy: -109.287
flat angles C4'-P-C4' energy: -136.779
flat angles P-C4'-P energy: -94.045
tors. eta vs tors. theta energy: -166.839
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: 1
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -1806.889597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.889597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.889597 (E_RNA)
where:
Base-Base interactions energy: -1197.291
where: short stacking energy: -530.376
Base-Backbone interact. energy: -1.149
local terms energy: -608.449591
where:
bonds (distance) C4'-P energy: -114.984
bonds (distance) P-C4' energy: -107.545
flat angles C4'-P-C4' energy: -127.383
flat angles P-C4'-P energy: -97.075
tors. eta vs tors. theta energy: -161.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1723.766329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.766329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.766329 (E_RNA)
where:
Base-Base interactions energy: -1154.298
where: short stacking energy: -501.990
Base-Backbone interact. energy: 0.315
local terms energy: -569.782895
where:
bonds (distance) C4'-P energy: -115.297
bonds (distance) P-C4' energy: -107.734
flat angles C4'-P-C4' energy: -118.038
flat angles P-C4'-P energy: -82.295
tors. eta vs tors. theta energy: -146.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1610.888525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.888525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.888525 (E_RNA)
where:
Base-Base interactions energy: -1091.898
where: short stacking energy: -459.136
Base-Backbone interact. energy: -0.538
local terms energy: -518.451700
where:
bonds (distance) C4'-P energy: -109.350
bonds (distance) P-C4' energy: -99.435
flat angles C4'-P-C4' energy: -119.856
flat angles P-C4'-P energy: -63.761
tors. eta vs tors. theta energy: -126.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -1404.700671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.700671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.700671 (E_RNA)
where:
Base-Base interactions energy: -912.741
where: short stacking energy: -428.212
Base-Backbone interact. energy: -1.242
local terms energy: -490.717388
where:
bonds (distance) C4'-P energy: -83.612
bonds (distance) P-C4' energy: -103.859
flat angles C4'-P-C4' energy: -117.053
flat angles P-C4'-P energy: -70.730
tors. eta vs tors. theta energy: -115.463
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: 10
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -1275.194013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.194013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.194013 (E_RNA)
where:
Base-Base interactions energy: -813.212
where: short stacking energy: -372.395
Base-Backbone interact. energy: 2.262
local terms energy: -464.244192
where:
bonds (distance) C4'-P energy: -109.056
bonds (distance) P-C4' energy: -106.481
flat angles C4'-P-C4' energy: -109.560
flat angles P-C4'-P energy: -55.363
tors. eta vs tors. theta energy: -83.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -1087.035368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.035368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.035368 (E_RNA)
where:
Base-Base interactions energy: -674.917
where: short stacking energy: -295.369
Base-Backbone interact. energy: -0.786
local terms energy: -411.332546
where:
bonds (distance) C4'-P energy: -89.814
bonds (distance) P-C4' energy: -100.829
flat angles C4'-P-C4' energy: -111.351
flat angles P-C4'-P energy: -55.962
tors. eta vs tors. theta energy: -53.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -758.528306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.528306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.528306 (E_RNA)
where:
Base-Base interactions energy: -399.562
where: short stacking energy: -199.115
Base-Backbone interact. energy: 0.339
local terms energy: -359.305616
where:
bonds (distance) C4'-P energy: -75.961
bonds (distance) P-C4' energy: -102.128
flat angles C4'-P-C4' energy: -107.387
flat angles P-C4'-P energy: -58.862
tors. eta vs tors. theta energy: -14.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -599.197494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.197494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.197494 (E_RNA)
where:
Base-Base interactions energy: -304.816
where: short stacking energy: -183.831
Base-Backbone interact. energy: 6.739
local terms energy: -301.120250
where:
bonds (distance) C4'-P energy: -67.834
bonds (distance) P-C4' energy: -85.838
flat angles C4'-P-C4' energy: -79.238
flat angles P-C4'-P energy: -56.157
tors. eta vs tors. theta energy: -12.053
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: 9
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -2031.141795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.141795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.141795 (E_RNA)
where:
Base-Base interactions energy: -1398.062
where: short stacking energy: -556.284
Base-Backbone interact. energy: -2.119
local terms energy: -630.960743
where:
bonds (distance) C4'-P energy: -117.735
bonds (distance) P-C4' energy: -120.300
flat angles C4'-P-C4' energy: -133.288
flat angles P-C4'-P energy: -91.614
tors. eta vs tors. theta energy: -168.023
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: 2, replica: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1961.896111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.896111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.896111 (E_RNA)
where:
Base-Base interactions energy: -1353.546
where: short stacking energy: -550.166
Base-Backbone interact. energy: 1.005
local terms energy: -609.354419
where:
bonds (distance) C4'-P energy: -111.078
bonds (distance) P-C4' energy: -107.446
flat angles C4'-P-C4' energy: -141.885
flat angles P-C4'-P energy: -87.678
tors. eta vs tors. theta energy: -161.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1803.212901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.212901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.212901 (E_RNA)
where:
Base-Base interactions energy: -1231.290
where: short stacking energy: -515.627
Base-Backbone interact. energy: -1.598
local terms energy: -570.325459
where:
bonds (distance) C4'-P energy: -114.901
bonds (distance) P-C4' energy: -108.646
flat angles C4'-P-C4' energy: -120.711
flat angles P-C4'-P energy: -72.164
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: 4, replica: 7
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1712.252598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.252598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.252598 (E_RNA)
where:
Base-Base interactions energy: -1158.361
where: short stacking energy: -495.372
Base-Backbone interact. energy: 1.608
local terms energy: -555.499795
where:
bonds (distance) C4'-P energy: -107.380
bonds (distance) P-C4' energy: -110.108
flat angles C4'-P-C4' energy: -121.627
flat angles P-C4'-P energy: -79.048
tors. eta vs tors. theta energy: -137.337
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: 3
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -1631.896534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.896534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.896534 (E_RNA)
where:
Base-Base interactions energy: -1097.814
where: short stacking energy: -469.891
Base-Backbone interact. energy: -3.225
local terms energy: -530.857708
where:
bonds (distance) C4'-P energy: -95.146
bonds (distance) P-C4' energy: -106.648
flat angles C4'-P-C4' energy: -122.617
flat angles P-C4'-P energy: -77.984
tors. eta vs tors. theta energy: -128.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1378.564552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.564552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.564552 (E_RNA)
where:
Base-Base interactions energy: -892.448
where: short stacking energy: -409.951
Base-Backbone interact. energy: -1.071
local terms energy: -485.045263
where:
bonds (distance) C4'-P energy: -91.210
bonds (distance) P-C4' energy: -104.697
flat angles C4'-P-C4' energy: -103.675
flat angles P-C4'-P energy: -79.650
tors. eta vs tors. theta energy: -105.813
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: 10
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -1228.105409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.105409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.105409 (E_RNA)
where:
Base-Base interactions energy: -770.023
where: short stacking energy: -357.072
Base-Backbone interact. energy: 3.266
local terms energy: -461.349167
where:
bonds (distance) C4'-P energy: -92.121
bonds (distance) P-C4' energy: -109.162
flat angles C4'-P-C4' energy: -114.448
flat angles P-C4'-P energy: -70.407
tors. eta vs tors. theta energy: -75.212
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: 8
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -1087.327894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.327894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.327894 (E_RNA)
where:
Base-Base interactions energy: -665.816
where: short stacking energy: -315.013
Base-Backbone interact. energy: -1.226
local terms energy: -420.286374
where:
bonds (distance) C4'-P energy: -96.347
bonds (distance) P-C4' energy: -109.261
flat angles C4'-P-C4' energy: -105.204
flat angles P-C4'-P energy: -55.819
tors. eta vs tors. theta energy: -53.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -772.800114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.800114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.800114 (E_RNA)
where:
Base-Base interactions energy: -397.075
where: short stacking energy: -204.869
Base-Backbone interact. energy: -1.004
local terms energy: -374.721163
where:
bonds (distance) C4'-P energy: -101.464
bonds (distance) P-C4' energy: -95.259
flat angles C4'-P-C4' energy: -90.246
flat angles P-C4'-P energy: -65.919
tors. eta vs tors. theta energy: -21.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -632.621385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.621385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.621385 (E_RNA)
where:
Base-Base interactions energy: -313.121
where: short stacking energy: -165.515
Base-Backbone interact. energy: -0.870
local terms energy: -318.629841
where:
bonds (distance) C4'-P energy: -102.199
bonds (distance) P-C4' energy: -80.931
flat angles C4'-P-C4' energy: -87.165
flat angles P-C4'-P energy: -48.464
tors. eta vs tors. theta energy: 0.130
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: 9
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1992.760750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.760750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.760750 (E_RNA)
where:
Base-Base interactions energy: -1391.750
where: short stacking energy: -580.785
Base-Backbone interact. energy: -1.195
local terms energy: -599.815361
where:
bonds (distance) C4'-P energy: -109.101
bonds (distance) P-C4' energy: -105.660
flat angles C4'-P-C4' energy: -121.795
flat angles P-C4'-P energy: -98.638
tors. eta vs tors. theta energy: -164.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1973.788694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.788694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.788694 (E_RNA)
where:
Base-Base interactions energy: -1344.847
where: short stacking energy: -546.808
Base-Backbone interact. energy: 2.928
local terms energy: -631.868871
where:
bonds (distance) C4'-P energy: -112.142
bonds (distance) P-C4' energy: -120.045
flat angles C4'-P-C4' energy: -132.501
flat angles P-C4'-P energy: -100.204
tors. eta vs tors. theta energy: -166.978
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: 3, replica: 1
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -1791.516649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.516649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.516649 (E_RNA)
where:
Base-Base interactions energy: -1237.759
where: short stacking energy: -562.098
Base-Backbone interact. energy: 1.008
local terms energy: -554.766372
where:
bonds (distance) C4'-P energy: -97.694
bonds (distance) P-C4' energy: -99.260
flat angles C4'-P-C4' energy: -123.523
flat angles P-C4'-P energy: -70.883
tors. eta vs tors. theta energy: -163.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -1748.075022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.075022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.075022 (E_RNA)
where:
Base-Base interactions energy: -1186.692
where: short stacking energy: -513.344
Base-Backbone interact. energy: -2.484
local terms energy: -558.899887
where:
bonds (distance) C4'-P energy: -85.728
bonds (distance) P-C4' energy: -115.111
flat angles C4'-P-C4' energy: -125.935
flat angles P-C4'-P energy: -78.954
tors. eta vs tors. theta energy: -153.172
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: 3
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -1637.613735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.613735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.613735 (E_RNA)
where:
Base-Base interactions energy: -1114.647
where: short stacking energy: -482.897
Base-Backbone interact. energy: 2.736
local terms energy: -525.703130
where:
bonds (distance) C4'-P energy: -89.490
bonds (distance) P-C4' energy: -108.160
flat angles C4'-P-C4' energy: -121.137
flat angles P-C4'-P energy: -83.314
tors. eta vs tors. theta energy: -123.603
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: 10
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -1273.420142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.420142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.420142 (E_RNA)
where:
Base-Base interactions energy: -795.426
where: short stacking energy: -369.076
Base-Backbone interact. energy: -2.316
local terms energy: -475.677465
where:
bonds (distance) C4'-P energy: -83.695
bonds (distance) P-C4' energy: -112.458
flat angles C4'-P-C4' energy: -122.469
flat angles P-C4'-P energy: -72.462
tors. eta vs tors. theta energy: -84.594
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: 7, replica: 6
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -1242.613072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.613072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.613072 (E_RNA)
where:
Base-Base interactions energy: -782.265
where: short stacking energy: -357.102
Base-Backbone interact. energy: -1.350
local terms energy: -458.997945
where:
bonds (distance) C4'-P energy: -94.561
bonds (distance) P-C4' energy: -106.831
flat angles C4'-P-C4' energy: -104.010
flat angles P-C4'-P energy: -73.625
tors. eta vs tors. theta energy: -79.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -1186.449078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.449078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.449078 (E_RNA)
where:
Base-Base interactions energy: -763.713
where: short stacking energy: -333.660
Base-Backbone interact. energy: 2.236
local terms energy: -424.972433
where:
bonds (distance) C4'-P energy: -88.468
bonds (distance) P-C4' energy: -93.553
flat angles C4'-P-C4' energy: -108.935
flat angles P-C4'-P energy: -59.859
tors. eta vs tors. theta energy: -74.158
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: 5
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -770.847960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.847960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.847960 (E_RNA)
where:
Base-Base interactions energy: -401.454
where: short stacking energy: -212.847
Base-Backbone interact. energy: -1.415
local terms energy: -367.979304
where:
bonds (distance) C4'-P energy: -102.043
bonds (distance) P-C4' energy: -115.191
flat angles C4'-P-C4' energy: -77.761
flat angles P-C4'-P energy: -54.239
tors. eta vs tors. theta energy: -18.745
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: 10, replica: 2
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -607.499679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.499679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.499679 (E_RNA)
where:
Base-Base interactions energy: -283.277
where: short stacking energy: -171.772
Base-Backbone interact. energy: -1.169
local terms energy: -323.053479
where:
bonds (distance) C4'-P energy: -89.628
bonds (distance) P-C4' energy: -100.604
flat angles C4'-P-C4' energy: -89.435
flat angles P-C4'-P energy: -42.905
tors. eta vs tors. theta energy: -0.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -2046.036708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.036708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.036708 (E_RNA)
where:
Base-Base interactions energy: -1402.904
where: short stacking energy: -600.159
Base-Backbone interact. energy: -2.576
local terms energy: -640.556696
where:
bonds (distance) C4'-P energy: -120.040
bonds (distance) P-C4' energy: -128.837
flat angles C4'-P-C4' energy: -133.772
flat angles P-C4'-P energy: -92.330
tors. eta vs tors. theta energy: -165.578
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: 4
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1942.943328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.943328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.943328 (E_RNA)
where:
Base-Base interactions energy: -1335.957
where: short stacking energy: -531.215
Base-Backbone interact. energy: -0.019
local terms energy: -606.967448
where:
bonds (distance) C4'-P energy: -119.712
bonds (distance) P-C4' energy: -117.664
flat angles C4'-P-C4' energy: -126.437
flat angles P-C4'-P energy: -84.293
tors. eta vs tors. theta energy: -158.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -1830.993574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.993574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.993574 (E_RNA)
where:
Base-Base interactions energy: -1228.251
where: short stacking energy: -535.067
Base-Backbone interact. energy: -1.594
local terms energy: -601.148491
where:
bonds (distance) C4'-P energy: -108.475
bonds (distance) P-C4' energy: -123.884
flat angles C4'-P-C4' energy: -130.456
flat angles P-C4'-P energy: -82.603
tors. eta vs tors. theta energy: -155.730
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: 7
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -1757.982755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.982755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.982755 (E_RNA)
where:
Base-Base interactions energy: -1197.860
where: short stacking energy: -517.887
Base-Backbone interact. energy: -2.789
local terms energy: -557.333651
where:
bonds (distance) C4'-P energy: -92.715
bonds (distance) P-C4' energy: -104.528
flat angles C4'-P-C4' energy: -123.785
flat angles P-C4'-P energy: -87.534
tors. eta vs tors. theta energy: -148.772
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: 150
Temperature: 1.100000
Total energy: -1661.562794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.562794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.562794 (E_RNA)
where:
Base-Base interactions energy: -1118.849
where: short stacking energy: -499.392
Base-Backbone interact. energy: -0.426
local terms energy: -542.288590
where:
bonds (distance) C4'-P energy: -111.306
bonds (distance) P-C4' energy: -109.806
flat angles C4'-P-C4' energy: -106.122
flat angles P-C4'-P energy: -77.741
tors. eta vs tors. theta energy: -137.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -1298.869376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.869376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.869376 (E_RNA)
where:
Base-Base interactions energy: -812.564
where: short stacking energy: -372.361
Base-Backbone interact. energy: 0.422
local terms energy: -486.727231
where:
bonds (distance) C4'-P energy: -97.348
bonds (distance) P-C4' energy: -118.722
flat angles C4'-P-C4' energy: -113.749
flat angles P-C4'-P energy: -57.624
tors. eta vs tors. theta energy: -99.284
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: 8
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -1361.496396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.496396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.496396 (E_RNA)
where:
Base-Base interactions energy: -892.184
where: short stacking energy: -377.556
Base-Backbone interact. energy: -1.855
local terms energy: -467.457217
where:
bonds (distance) C4'-P energy: -101.706
bonds (distance) P-C4' energy: -112.031
flat angles C4'-P-C4' energy: -107.331
flat angles P-C4'-P energy: -60.776
tors. eta vs tors. theta energy: -85.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -1139.017829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.017829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.017829 (E_RNA)
where:
Base-Base interactions energy: -706.310
where: short stacking energy: -337.270
Base-Backbone interact. energy: 0.369
local terms energy: -433.076180
where:
bonds (distance) C4'-P energy: -95.195
bonds (distance) P-C4' energy: -116.846
flat angles C4'-P-C4' energy: -101.497
flat angles P-C4'-P energy: -48.460
tors. eta vs tors. theta energy: -71.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -759.624672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.624672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.624672 (E_RNA)
where:
Base-Base interactions energy: -385.508
where: short stacking energy: -213.759
Base-Backbone interact. energy: 3.212
local terms energy: -377.328698
where:
bonds (distance) C4'-P energy: -102.679
bonds (distance) P-C4' energy: -102.103
flat angles C4'-P-C4' energy: -87.180
flat angles P-C4'-P energy: -58.880
tors. eta vs tors. theta energy: -26.486
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: 2
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -600.141934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.141934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.141934 (E_RNA)
where:
Base-Base interactions energy: -256.184
where: short stacking energy: -152.902
Base-Backbone interact. energy: -0.279
local terms energy: -343.678475
where:
bonds (distance) C4'-P energy: -108.184
bonds (distance) P-C4' energy: -102.406
flat angles C4'-P-C4' energy: -92.122
flat angles P-C4'-P energy: -49.099
tors. eta vs tors. theta energy: 8.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -2017.529225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.529225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.529225 (E_RNA)
where:
Base-Base interactions energy: -1384.075
where: short stacking energy: -592.159
Base-Backbone interact. energy: -0.794
local terms energy: -632.660152
where:
bonds (distance) C4'-P energy: -114.729
bonds (distance) P-C4' energy: -115.675
flat angles C4'-P-C4' energy: -142.625
flat angles P-C4'-P energy: -95.977
tors. eta vs tors. theta energy: -163.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1946.347891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.347891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.347891 (E_RNA)
where:
Base-Base interactions energy: -1329.810
where: short stacking energy: -524.039
Base-Backbone interact. energy: -2.355
local terms energy: -614.182671
where:
bonds (distance) C4'-P energy: -127.970
bonds (distance) P-C4' energy: -115.673
flat angles C4'-P-C4' energy: -123.463
flat angles P-C4'-P energy: -87.580
tors. eta vs tors. theta energy: -159.497
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: 1
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -1854.733758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.733758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.733758 (E_RNA)
where:
Base-Base interactions energy: -1251.699
where: short stacking energy: -541.650
Base-Backbone interact. energy: -0.072
local terms energy: -602.963139
where:
bonds (distance) C4'-P energy: -110.935
bonds (distance) P-C4' energy: -108.445
flat angles C4'-P-C4' energy: -133.752
flat angles P-C4'-P energy: -84.695
tors. eta vs tors. theta energy: -165.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1759.037066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.037066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.037066 (E_RNA)
where:
Base-Base interactions energy: -1204.168
where: short stacking energy: -504.258
Base-Backbone interact. energy: 2.184
local terms energy: -557.053790
where:
bonds (distance) C4'-P energy: -95.311
bonds (distance) P-C4' energy: -111.812
flat angles C4'-P-C4' energy: -116.586
flat angles P-C4'-P energy: -88.157
tors. eta vs tors. theta energy: -145.188
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: 151
Temperature: 1.100000
Total energy: -1648.511572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.511572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.511572 (E_RNA)
where:
Base-Base interactions energy: -1124.622
where: short stacking energy: -500.706
Base-Backbone interact. energy: -2.787
local terms energy: -521.102383
where:
bonds (distance) C4'-P energy: -112.572
bonds (distance) P-C4' energy: -76.926
flat angles C4'-P-C4' energy: -114.788
flat angles P-C4'-P energy: -72.662
tors. eta vs tors. theta energy: -144.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -1472.912422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.912422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.912422 (E_RNA)
where:
Base-Base interactions energy: -959.700
where: short stacking energy: -424.474
Base-Backbone interact. energy: 0.611
local terms energy: -513.823918
where:
bonds (distance) C4'-P energy: -91.118
bonds (distance) P-C4' energy: -105.004
flat angles C4'-P-C4' energy: -124.369
flat angles P-C4'-P energy: -73.444
tors. eta vs tors. theta energy: -119.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -1310.939445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.939445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.939445 (E_RNA)
where:
Base-Base interactions energy: -827.336
where: short stacking energy: -394.169
Base-Backbone interact. energy: 1.398
local terms energy: -485.002140
where:
bonds (distance) C4'-P energy: -104.584
bonds (distance) P-C4' energy: -85.195
flat angles C4'-P-C4' energy: -101.444
flat angles P-C4'-P energy: -85.124
tors. eta vs tors. theta energy: -108.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -1099.223658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.223658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.223658 (E_RNA)
where:
Base-Base interactions energy: -671.659
where: short stacking energy: -295.939
Base-Backbone interact. energy: 2.984
local terms energy: -430.548429
where:
bonds (distance) C4'-P energy: -95.657
bonds (distance) P-C4' energy: -103.502
flat angles C4'-P-C4' energy: -109.460
flat angles P-C4'-P energy: -56.835
tors. eta vs tors. theta energy: -65.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -761.112003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.112003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.112003 (E_RNA)
where:
Base-Base interactions energy: -408.685
where: short stacking energy: -232.320
Base-Backbone interact. energy: 2.848
local terms energy: -355.274307
where:
bonds (distance) C4'-P energy: -87.390
bonds (distance) P-C4' energy: -110.482
flat angles C4'-P-C4' energy: -81.373
flat angles P-C4'-P energy: -56.057
tors. eta vs tors. theta energy: -19.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -638.936025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.936025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.936025 (E_RNA)
where:
Base-Base interactions energy: -318.632
where: short stacking energy: -172.660
Base-Backbone interact. energy: 0.910
local terms energy: -321.213218
where:
bonds (distance) C4'-P energy: -99.490
bonds (distance) P-C4' energy: -86.960
flat angles C4'-P-C4' energy: -80.637
flat angles P-C4'-P energy: -58.596
tors. eta vs tors. theta energy: 4.470
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: 9
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -2017.786683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.786683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.786683 (E_RNA)
where:
Base-Base interactions energy: -1378.455
where: short stacking energy: -583.722
Base-Backbone interact. energy: -2.358
local terms energy: -636.973889
where:
bonds (distance) C4'-P energy: -124.296
bonds (distance) P-C4' energy: -122.786
flat angles C4'-P-C4' energy: -131.779
flat angles P-C4'-P energy: -92.164
tors. eta vs tors. theta energy: -165.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1941.213806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.213806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.213806 (E_RNA)
where:
Base-Base interactions energy: -1350.534
where: short stacking energy: -538.708
Base-Backbone interact. energy: 3.748
local terms energy: -594.428285
where:
bonds (distance) C4'-P energy: -114.717
bonds (distance) P-C4' energy: -115.075
flat angles C4'-P-C4' energy: -127.900
flat angles P-C4'-P energy: -80.022
tors. eta vs tors. theta energy: -156.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1812.602066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.602066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.602066 (E_RNA)
where:
Base-Base interactions energy: -1218.190
where: short stacking energy: -524.000
Base-Backbone interact. energy: -1.911
local terms energy: -592.501072
where:
bonds (distance) C4'-P energy: -100.863
bonds (distance) P-C4' energy: -123.063
flat angles C4'-P-C4' energy: -116.896
flat angles P-C4'-P energy: -89.978
tors. eta vs tors. theta energy: -161.700
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: 152
Temperature: 1.050000
Total energy: -1702.014602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.014602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.014602 (E_RNA)
where:
Base-Base interactions energy: -1149.015
where: short stacking energy: -507.896
Base-Backbone interact. energy: -3.402
local terms energy: -549.597649
where:
bonds (distance) C4'-P energy: -96.196
bonds (distance) P-C4' energy: -112.082
flat angles C4'-P-C4' energy: -113.110
flat angles P-C4'-P energy: -86.641
tors. eta vs tors. theta energy: -141.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1593.806754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.806754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.806754 (E_RNA)
where:
Base-Base interactions energy: -1071.133
where: short stacking energy: -452.895
Base-Backbone interact. energy: -0.668
local terms energy: -522.004901
where:
bonds (distance) C4'-P energy: -101.069
bonds (distance) P-C4' energy: -97.805
flat angles C4'-P-C4' energy: -112.600
flat angles P-C4'-P energy: -80.345
tors. eta vs tors. theta energy: -130.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -1447.807674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.807674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.807674 (E_RNA)
where:
Base-Base interactions energy: -961.729
where: short stacking energy: -383.849
Base-Backbone interact. energy: -1.372
local terms energy: -484.706132
where:
bonds (distance) C4'-P energy: -95.180
bonds (distance) P-C4' energy: -111.251
flat angles C4'-P-C4' energy: -109.991
flat angles P-C4'-P energy: -76.726
tors. eta vs tors. theta energy: -91.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -1261.216710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.216710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.216710 (E_RNA)
where:
Base-Base interactions energy: -791.930
where: short stacking energy: -369.196
Base-Backbone interact. energy: -1.646
local terms energy: -467.640585
where:
bonds (distance) C4'-P energy: -94.695
bonds (distance) P-C4' energy: -100.843
flat angles C4'-P-C4' energy: -114.366
flat angles P-C4'-P energy: -53.069
tors. eta vs tors. theta energy: -104.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -1036.347399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.347399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.347399 (E_RNA)
where:
Base-Base interactions energy: -645.758
where: short stacking energy: -304.620
Base-Backbone interact. energy: 6.501
local terms energy: -397.090616
where:
bonds (distance) C4'-P energy: -106.670
bonds (distance) P-C4' energy: -97.226
flat angles C4'-P-C4' energy: -85.799
flat angles P-C4'-P energy: -57.755
tors. eta vs tors. theta energy: -49.641
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: 5
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -699.719967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.719967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.719967 (E_RNA)
where:
Base-Base interactions energy: -362.309
where: short stacking energy: -218.336
Base-Backbone interact. energy: 1.525
local terms energy: -338.935700
where:
bonds (distance) C4'-P energy: -85.324
bonds (distance) P-C4' energy: -115.114
flat angles C4'-P-C4' energy: -81.294
flat angles P-C4'-P energy: -42.578
tors. eta vs tors. theta energy: -14.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -628.749125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.749125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.749125 (E_RNA)
where:
Base-Base interactions energy: -321.082
where: short stacking energy: -180.879
Base-Backbone interact. energy: -0.928
local terms energy: -306.738361
where:
bonds (distance) C4'-P energy: -100.017
bonds (distance) P-C4' energy: -93.735
flat angles C4'-P-C4' energy: -78.467
flat angles P-C4'-P energy: -34.240
tors. eta vs tors. theta energy: -0.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -2022.392206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.392206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.392206 (E_RNA)
where:
Base-Base interactions energy: -1398.139
where: short stacking energy: -576.774
Base-Backbone interact. energy: -3.734
local terms energy: -620.519252
where:
bonds (distance) C4'-P energy: -113.004
bonds (distance) P-C4' energy: -120.272
flat angles C4'-P-C4' energy: -127.023
flat angles P-C4'-P energy: -94.223
tors. eta vs tors. theta energy: -165.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1957.105799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.105799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.105799 (E_RNA)
where:
Base-Base interactions energy: -1356.008
where: short stacking energy: -542.366
Base-Backbone interact. energy: 0.661
local terms energy: -601.759508
where:
bonds (distance) C4'-P energy: -124.122
bonds (distance) P-C4' energy: -108.008
flat angles C4'-P-C4' energy: -126.919
flat angles P-C4'-P energy: -84.235
tors. eta vs tors. theta energy: -158.476
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: 1
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1819.026771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.026771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.026771 (E_RNA)
where:
Base-Base interactions energy: -1256.594
where: short stacking energy: -538.834
Base-Backbone interact. energy: 2.684
local terms energy: -565.116870
where:
bonds (distance) C4'-P energy: -91.396
bonds (distance) P-C4' energy: -115.959
flat angles C4'-P-C4' energy: -109.930
flat angles P-C4'-P energy: -79.675
tors. eta vs tors. theta energy: -168.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -1725.780058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.780058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.780058 (E_RNA)
where:
Base-Base interactions energy: -1163.037
where: short stacking energy: -507.398
Base-Backbone interact. energy: -1.333
local terms energy: -561.409988
where:
bonds (distance) C4'-P energy: -102.097
bonds (distance) P-C4' energy: -102.627
flat angles C4'-P-C4' energy: -122.488
flat angles P-C4'-P energy: -81.785
tors. eta vs tors. theta energy: -152.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1587.403562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.403562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.403562 (E_RNA)
where:
Base-Base interactions energy: -1056.912
where: short stacking energy: -461.188
Base-Backbone interact. energy: -2.834
local terms energy: -527.656801
where:
bonds (distance) C4'-P energy: -111.145
bonds (distance) P-C4' energy: -103.381
flat angles C4'-P-C4' energy: -114.340
flat angles P-C4'-P energy: -72.366
tors. eta vs tors. theta energy: -126.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -1455.652013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.652013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.652013 (E_RNA)
where:
Base-Base interactions energy: -942.102
where: short stacking energy: -431.694
Base-Backbone interact. energy: -1.593
local terms energy: -511.957700
where:
bonds (distance) C4'-P energy: -114.121
bonds (distance) P-C4' energy: -103.517
flat angles C4'-P-C4' energy: -113.589
flat angles P-C4'-P energy: -68.869
tors. eta vs tors. theta energy: -111.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -1214.778652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.778652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.778652 (E_RNA)
where:
Base-Base interactions energy: -775.402
where: short stacking energy: -365.606
Base-Backbone interact. energy: -1.439
local terms energy: -437.937739
where:
bonds (distance) C4'-P energy: -96.090
bonds (distance) P-C4' energy: -89.557
flat angles C4'-P-C4' energy: -104.015
flat angles P-C4'-P energy: -64.798
tors. eta vs tors. theta energy: -83.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -926.729466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.729466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.729466 (E_RNA)
where:
Base-Base interactions energy: -497.340
where: short stacking energy: -249.676
Base-Backbone interact. energy: -2.787
local terms energy: -426.602545
where:
bonds (distance) C4'-P energy: -92.328
bonds (distance) P-C4' energy: -113.211
flat angles C4'-P-C4' energy: -96.248
flat angles P-C4'-P energy: -65.846
tors. eta vs tors. theta energy: -58.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -693.808100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.808100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.808100 (E_RNA)
where:
Base-Base interactions energy: -359.008
where: short stacking energy: -198.575
Base-Backbone interact. energy: 2.789
local terms energy: -337.589258
where:
bonds (distance) C4'-P energy: -82.676
bonds (distance) P-C4' energy: -105.779
flat angles C4'-P-C4' energy: -85.085
flat angles P-C4'-P energy: -57.093
tors. eta vs tors. theta energy: -6.956
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: 10, replica: 2
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -710.177694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.177694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.177694 (E_RNA)
where:
Base-Base interactions energy: -376.237
where: short stacking energy: -194.565
Base-Backbone interact. energy: -1.220
local terms energy: -332.720989
where:
bonds (distance) C4'-P energy: -92.117
bonds (distance) P-C4' energy: -90.710
flat angles C4'-P-C4' energy: -78.475
flat angles P-C4'-P energy: -52.805
tors. eta vs tors. theta energy: -18.614
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: 9
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -2030.449812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.449812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.449812 (E_RNA)
where:
Base-Base interactions energy: -1388.728
where: short stacking energy: -581.424
Base-Backbone interact. energy: -1.254
local terms energy: -640.467853
where:
bonds (distance) C4'-P energy: -115.930
bonds (distance) P-C4' energy: -116.776
flat angles C4'-P-C4' energy: -141.797
flat angles P-C4'-P energy: -96.987
tors. eta vs tors. theta energy: -168.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1942.531589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.531589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.531589 (E_RNA)
where:
Base-Base interactions energy: -1344.856
where: short stacking energy: -559.753
Base-Backbone interact. energy: -2.898
local terms energy: -594.777975
where:
bonds (distance) C4'-P energy: -104.089
bonds (distance) P-C4' energy: -128.978
flat angles C4'-P-C4' energy: -107.439
flat angles P-C4'-P energy: -86.787
tors. eta vs tors. theta energy: -167.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1822.178958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.178958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.178958 (E_RNA)
where:
Base-Base interactions energy: -1230.112
where: short stacking energy: -514.155
Base-Backbone interact. energy: -2.586
local terms energy: -589.480980
where:
bonds (distance) C4'-P energy: -104.844
bonds (distance) P-C4' energy: -103.263
flat angles C4'-P-C4' energy: -122.805
flat angles P-C4'-P energy: -92.047
tors. eta vs tors. theta energy: -166.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -1741.039828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.039828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.039828 (E_RNA)
where:
Base-Base interactions energy: -1184.660
where: short stacking energy: -499.897
Base-Backbone interact. energy: -2.074
local terms energy: -554.305608
where:
bonds (distance) C4'-P energy: -108.733
bonds (distance) P-C4' energy: -106.350
flat angles C4'-P-C4' energy: -114.335
flat angles P-C4'-P energy: -82.799
tors. eta vs tors. theta energy: -142.088
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: 5, replica: 3
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1523.694811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.694811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.694811 (E_RNA)
where:
Base-Base interactions energy: -1031.993
where: short stacking energy: -432.826
Base-Backbone interact. energy: -0.507
local terms energy: -491.194135
where:
bonds (distance) C4'-P energy: -91.867
bonds (distance) P-C4' energy: -110.065
flat angles C4'-P-C4' energy: -112.504
flat angles P-C4'-P energy: -60.846
tors. eta vs tors. theta energy: -115.912
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: 6, replica: 8
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -1392.382221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.382221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.382221 (E_RNA)
where:
Base-Base interactions energy: -924.690
where: short stacking energy: -401.140
Base-Backbone interact. energy: -0.782
local terms energy: -466.910063
where:
bonds (distance) C4'-P energy: -94.948
bonds (distance) P-C4' energy: -101.651
flat angles C4'-P-C4' energy: -105.208
flat angles P-C4'-P energy: -68.851
tors. eta vs tors. theta energy: -96.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1157.571436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.571436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.571436 (E_RNA)
where:
Base-Base interactions energy: -689.612
where: short stacking energy: -312.760
Base-Backbone interact. energy: 1.037
local terms energy: -468.996077
where:
bonds (distance) C4'-P energy: -98.041
bonds (distance) P-C4' energy: -117.982
flat angles C4'-P-C4' energy: -98.814
flat angles P-C4'-P energy: -82.518
tors. eta vs tors. theta energy: -71.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -935.008959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.008959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.008959 (E_RNA)
where:
Base-Base interactions energy: -519.315
where: short stacking energy: -291.562
Base-Backbone interact. energy: -2.745
local terms energy: -412.948802
where:
bonds (distance) C4'-P energy: -92.979
bonds (distance) P-C4' energy: -92.913
flat angles C4'-P-C4' energy: -98.361
flat angles P-C4'-P energy: -58.793
tors. eta vs tors. theta energy: -69.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -732.142717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.142717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.142717 (E_RNA)
where:
Base-Base interactions energy: -381.256
where: short stacking energy: -209.097
Base-Backbone interact. energy: 2.581
local terms energy: -353.467744
where:
bonds (distance) C4'-P energy: -89.531
bonds (distance) P-C4' energy: -110.057
flat angles C4'-P-C4' energy: -83.175
flat angles P-C4'-P energy: -56.067
tors. eta vs tors. theta energy: -14.638
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: 10, replica: 2
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -650.066382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.066382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.066382 (E_RNA)
where:
Base-Base interactions energy: -337.252
where: short stacking energy: -193.208
Base-Backbone interact. energy: -2.339
local terms energy: -310.474963
where:
bonds (distance) C4'-P energy: -99.523
bonds (distance) P-C4' energy: -90.093
flat angles C4'-P-C4' energy: -80.125
flat angles P-C4'-P energy: -43.141
tors. eta vs tors. theta energy: 2.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -2020.114347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.114347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.114347 (E_RNA)
where:
Base-Base interactions energy: -1396.286
where: short stacking energy: -584.410
Base-Backbone interact. energy: -5.466
local terms energy: -618.361840
where:
bonds (distance) C4'-P energy: -114.383
bonds (distance) P-C4' energy: -103.544
flat angles C4'-P-C4' energy: -137.260
flat angles P-C4'-P energy: -87.361
tors. eta vs tors. theta energy: -175.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1968.436169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.436169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.436169 (E_RNA)
where:
Base-Base interactions energy: -1331.436
where: short stacking energy: -559.660
Base-Backbone interact. energy: -2.231
local terms energy: -634.768465
where:
bonds (distance) C4'-P energy: -110.754
bonds (distance) P-C4' energy: -122.907
flat angles C4'-P-C4' energy: -138.917
flat angles P-C4'-P energy: -94.129
tors. eta vs tors. theta energy: -168.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -1832.323274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.323274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.323274 (E_RNA)
where:
Base-Base interactions energy: -1225.051
where: short stacking energy: -552.738
Base-Backbone interact. energy: 0.169
local terms energy: -607.441632
where:
bonds (distance) C4'-P energy: -111.625
bonds (distance) P-C4' energy: -113.029
flat angles C4'-P-C4' energy: -137.401
flat angles P-C4'-P energy: -82.278
tors. eta vs tors. theta energy: -163.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -1703.555667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.555667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.555667 (E_RNA)
where:
Base-Base interactions energy: -1157.792
where: short stacking energy: -521.024
Base-Backbone interact. energy: -1.693
local terms energy: -544.069890
where:
bonds (distance) C4'-P energy: -77.810
bonds (distance) P-C4' energy: -120.312
flat angles C4'-P-C4' energy: -121.963
flat angles P-C4'-P energy: -85.495
tors. eta vs tors. theta energy: -138.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1507.018371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.018371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.018371 (E_RNA)
where:
Base-Base interactions energy: -985.174
where: short stacking energy: -424.842
Base-Backbone interact. energy: 0.183
local terms energy: -522.027416
where:
bonds (distance) C4'-P energy: -111.436
bonds (distance) P-C4' energy: -112.743
flat angles C4'-P-C4' energy: -113.946
flat angles P-C4'-P energy: -73.710
tors. eta vs tors. theta energy: -110.193
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: 155
Temperature: 1.150000
Total energy: -1366.599653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.599653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.599653 (E_RNA)
where:
Base-Base interactions energy: -891.925
where: short stacking energy: -415.207
Base-Backbone interact. energy: 0.969
local terms energy: -475.643188
where:
bonds (distance) C4'-P energy: -105.018
bonds (distance) P-C4' energy: -101.089
flat angles C4'-P-C4' energy: -121.849
flat angles P-C4'-P energy: -61.550
tors. eta vs tors. theta energy: -86.137
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: 10
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -1154.494183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.494183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.494183 (E_RNA)
where:
Base-Base interactions energy: -705.111
where: short stacking energy: -329.297
Base-Backbone interact. energy: -3.573
local terms energy: -445.810094
where:
bonds (distance) C4'-P energy: -96.266
bonds (distance) P-C4' energy: -108.999
flat angles C4'-P-C4' energy: -103.948
flat angles P-C4'-P energy: -66.592
tors. eta vs tors. theta energy: -70.006
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: 6
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -832.719535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.719535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.719535 (E_RNA)
where:
Base-Base interactions energy: -458.311
where: short stacking energy: -250.732
Base-Backbone interact. energy: 4.915
local terms energy: -379.323568
where:
bonds (distance) C4'-P energy: -95.311
bonds (distance) P-C4' energy: -88.579
flat angles C4'-P-C4' energy: -94.178
flat angles P-C4'-P energy: -61.657
tors. eta vs tors. theta energy: -39.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -742.362265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.362265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.362265 (E_RNA)
where:
Base-Base interactions energy: -411.588
where: short stacking energy: -212.799
Base-Backbone interact. energy: -1.653
local terms energy: -329.121652
where:
bonds (distance) C4'-P energy: -84.397
bonds (distance) P-C4' energy: -103.285
flat angles C4'-P-C4' energy: -78.736
flat angles P-C4'-P energy: -51.742
tors. eta vs tors. theta energy: -10.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -654.343800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.343800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.343800 (E_RNA)
where:
Base-Base interactions energy: -301.236
where: short stacking energy: -176.284
Base-Backbone interact. energy: -1.458
local terms energy: -351.649735
where:
bonds (distance) C4'-P energy: -92.288
bonds (distance) P-C4' energy: -117.236
flat angles C4'-P-C4' energy: -98.106
flat angles P-C4'-P energy: -39.882
tors. eta vs tors. theta energy: -4.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -2013.718789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.718789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.718789 (E_RNA)
where:
Base-Base interactions energy: -1400.215
where: short stacking energy: -593.667
Base-Backbone interact. energy: 2.919
local terms energy: -616.423353
where:
bonds (distance) C4'-P energy: -104.021
bonds (distance) P-C4' energy: -116.778
flat angles C4'-P-C4' energy: -132.782
flat angles P-C4'-P energy: -93.050
tors. eta vs tors. theta energy: -169.793
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: 4
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1967.715551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.715551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.715551 (E_RNA)
where:
Base-Base interactions energy: -1340.235
where: short stacking energy: -571.075
Base-Backbone interact. energy: 0.877
local terms energy: -628.357068
where:
bonds (distance) C4'-P energy: -116.885
bonds (distance) P-C4' energy: -112.549
flat angles C4'-P-C4' energy: -143.893
flat angles P-C4'-P energy: -86.088
tors. eta vs tors. theta energy: -168.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -1821.066433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.066433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.066433 (E_RNA)
where:
Base-Base interactions energy: -1221.362
where: short stacking energy: -535.309
Base-Backbone interact. energy: -0.815
local terms energy: -598.889178
where:
bonds (distance) C4'-P energy: -103.853
bonds (distance) P-C4' energy: -120.928
flat angles C4'-P-C4' energy: -128.915
flat angles P-C4'-P energy: -78.645
tors. eta vs tors. theta energy: -166.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -1702.868111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.868111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.868111 (E_RNA)
where:
Base-Base interactions energy: -1131.746
where: short stacking energy: -495.886
Base-Backbone interact. energy: -2.742
local terms energy: -568.380620
where:
bonds (distance) C4'-P energy: -108.375
bonds (distance) P-C4' energy: -121.193
flat angles C4'-P-C4' energy: -128.685
flat angles P-C4'-P energy: -77.165
tors. eta vs tors. theta energy: -132.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -1586.361589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.361589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.361589 (E_RNA)
where:
Base-Base interactions energy: -1056.209
where: short stacking energy: -472.868
Base-Backbone interact. energy: 0.773
local terms energy: -530.924884
where:
bonds (distance) C4'-P energy: -107.080
bonds (distance) P-C4' energy: -112.992
flat angles C4'-P-C4' energy: -109.785
flat angles P-C4'-P energy: -74.161
tors. eta vs tors. theta energy: -126.908
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: 8
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1339.602225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.602225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.602225 (E_RNA)
where:
Base-Base interactions energy: -864.316
where: short stacking energy: -396.051
Base-Backbone interact. energy: -0.773
local terms energy: -474.513974
where:
bonds (distance) C4'-P energy: -105.086
bonds (distance) P-C4' energy: -101.619
flat angles C4'-P-C4' energy: -120.885
flat angles P-C4'-P energy: -69.836
tors. eta vs tors. theta energy: -77.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -1136.033383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.033383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.033383 (E_RNA)
where:
Base-Base interactions energy: -696.401
where: short stacking energy: -305.640
Base-Backbone interact. energy: 1.133
local terms energy: -440.765527
where:
bonds (distance) C4'-P energy: -98.771
bonds (distance) P-C4' energy: -105.071
flat angles C4'-P-C4' energy: -107.581
flat angles P-C4'-P energy: -65.743
tors. eta vs tors. theta energy: -63.599
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: 6
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -842.690441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.690441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.690441 (E_RNA)
where:
Base-Base interactions energy: -469.840
where: short stacking energy: -238.225
Base-Backbone interact. energy: 1.787
local terms energy: -374.636861
where:
bonds (distance) C4'-P energy: -102.745
bonds (distance) P-C4' energy: -103.258
flat angles C4'-P-C4' energy: -76.719
flat angles P-C4'-P energy: -63.820
tors. eta vs tors. theta energy: -28.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -789.572566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.572566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.572566 (E_RNA)
where:
Base-Base interactions energy: -439.365
where: short stacking energy: -208.848
Base-Backbone interact. energy: 3.708
local terms energy: -353.915606
where:
bonds (distance) C4'-P energy: -106.996
bonds (distance) P-C4' energy: -84.759
flat angles C4'-P-C4' energy: -73.734
flat angles P-C4'-P energy: -67.549
tors. eta vs tors. theta energy: -20.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -619.606002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.606002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.606002 (E_RNA)
where:
Base-Base interactions energy: -281.812
where: short stacking energy: -153.352
Base-Backbone interact. energy: 0.331
local terms energy: -338.125888
where:
bonds (distance) C4'-P energy: -101.108
bonds (distance) P-C4' energy: -99.790
flat angles C4'-P-C4' energy: -99.427
flat angles P-C4'-P energy: -47.615
tors. eta vs tors. theta energy: 9.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -2015.510013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.510013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.510013 (E_RNA)
where:
Base-Base interactions energy: -1398.936
where: short stacking energy: -570.776
Base-Backbone interact. energy: -7.063
local terms energy: -609.511170
where:
bonds (distance) C4'-P energy: -109.091
bonds (distance) P-C4' energy: -114.219
flat angles C4'-P-C4' energy: -134.060
flat angles P-C4'-P energy: -91.312
tors. eta vs tors. theta energy: -160.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1940.965094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.965094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.965094 (E_RNA)
where:
Base-Base interactions energy: -1345.883
where: short stacking energy: -530.356
Base-Backbone interact. energy: -2.669
local terms energy: -592.413752
where:
bonds (distance) C4'-P energy: -99.989
bonds (distance) P-C4' energy: -113.358
flat angles C4'-P-C4' energy: -140.617
flat angles P-C4'-P energy: -85.793
tors. eta vs tors. theta energy: -152.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -1834.135021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.135021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.135021 (E_RNA)
where:
Base-Base interactions energy: -1215.963
where: short stacking energy: -523.505
Base-Backbone interact. energy: 0.820
local terms energy: -618.992125
where:
bonds (distance) C4'-P energy: -114.756
bonds (distance) P-C4' energy: -128.691
flat angles C4'-P-C4' energy: -132.278
flat angles P-C4'-P energy: -84.586
tors. eta vs tors. theta energy: -158.681
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: 7
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -1755.881899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.881899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.881899 (E_RNA)
where:
Base-Base interactions energy: -1193.796
where: short stacking energy: -508.806
Base-Backbone interact. energy: -3.746
local terms energy: -558.340096
where:
bonds (distance) C4'-P energy: -101.122
bonds (distance) P-C4' energy: -90.982
flat angles C4'-P-C4' energy: -122.835
flat angles P-C4'-P energy: -90.796
tors. eta vs tors. theta energy: -152.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -1579.818025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.818025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.818025 (E_RNA)
where:
Base-Base interactions energy: -1048.050
where: short stacking energy: -456.961
Base-Backbone interact. energy: 7.559
local terms energy: -539.326549
where:
bonds (distance) C4'-P energy: -101.725
bonds (distance) P-C4' energy: -111.425
flat angles C4'-P-C4' energy: -119.589
flat angles P-C4'-P energy: -73.970
tors. eta vs tors. theta energy: -132.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1360.171390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.171390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.171390 (E_RNA)
where:
Base-Base interactions energy: -872.272
where: short stacking energy: -395.018
Base-Backbone interact. energy: -0.160
local terms energy: -487.739371
where:
bonds (distance) C4'-P energy: -99.248
bonds (distance) P-C4' energy: -112.869
flat angles C4'-P-C4' energy: -110.839
flat angles P-C4'-P energy: -70.298
tors. eta vs tors. theta energy: -94.486
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: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1187.297880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.297880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.297880 (E_RNA)
where:
Base-Base interactions energy: -746.125
where: short stacking energy: -312.906
Base-Backbone interact. energy: -1.156
local terms energy: -440.016622
where:
bonds (distance) C4'-P energy: -93.105
bonds (distance) P-C4' energy: -114.940
flat angles C4'-P-C4' energy: -101.091
flat angles P-C4'-P energy: -68.418
tors. eta vs tors. theta energy: -62.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -837.337268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.337268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.337268 (E_RNA)
where:
Base-Base interactions energy: -459.484
where: short stacking energy: -265.241
Base-Backbone interact. energy: 0.781
local terms energy: -378.633979
where:
bonds (distance) C4'-P energy: -83.358
bonds (distance) P-C4' energy: -98.389
flat angles C4'-P-C4' energy: -90.746
flat angles P-C4'-P energy: -63.394
tors. eta vs tors. theta energy: -42.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -724.116571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.116571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.116571 (E_RNA)
where:
Base-Base interactions energy: -379.530
where: short stacking energy: -189.663
Base-Backbone interact. energy: -0.601
local terms energy: -343.985590
where:
bonds (distance) C4'-P energy: -80.548
bonds (distance) P-C4' energy: -95.714
flat angles C4'-P-C4' energy: -92.513
flat angles P-C4'-P energy: -60.271
tors. eta vs tors. theta energy: -14.940
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: 10, replica: 2
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -631.231429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.231429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.231429 (E_RNA)
where:
Base-Base interactions energy: -292.604
where: short stacking energy: -172.121
Base-Backbone interact. energy: 0.954
local terms energy: -339.581556
where:
bonds (distance) C4'-P energy: -97.698
bonds (distance) P-C4' energy: -105.114
flat angles C4'-P-C4' energy: -101.580
flat angles P-C4'-P energy: -39.671
tors. eta vs tors. theta energy: 4.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -2029.119341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.119341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.119341 (E_RNA)
where:
Base-Base interactions energy: -1404.819
where: short stacking energy: -588.577
Base-Backbone interact. energy: -1.680
local terms energy: -622.620609
where:
bonds (distance) C4'-P energy: -121.251
bonds (distance) P-C4' energy: -117.341
flat angles C4'-P-C4' energy: -133.429
flat angles P-C4'-P energy: -82.827
tors. eta vs tors. theta energy: -167.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1954.997032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.997032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.997032 (E_RNA)
where:
Base-Base interactions energy: -1331.972
where: short stacking energy: -527.974
Base-Backbone interact. energy: -4.135
local terms energy: -618.890064
where:
bonds (distance) C4'-P energy: -115.902
bonds (distance) P-C4' energy: -116.697
flat angles C4'-P-C4' energy: -127.364
flat angles P-C4'-P energy: -91.967
tors. eta vs tors. theta energy: -166.960
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: 1
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1851.094338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.094338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.094338 (E_RNA)
where:
Base-Base interactions energy: -1236.679
where: short stacking energy: -545.829
Base-Backbone interact. energy: -2.629
local terms energy: -611.786256
where:
bonds (distance) C4'-P energy: -106.582
bonds (distance) P-C4' energy: -118.458
flat angles C4'-P-C4' energy: -122.352
flat angles P-C4'-P energy: -99.050
tors. eta vs tors. theta energy: -165.344
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: 158
Temperature: 1.050000
Total energy: -1729.361089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.361089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.361089 (E_RNA)
where:
Base-Base interactions energy: -1170.274
where: short stacking energy: -504.700
Base-Backbone interact. energy: 0.437
local terms energy: -559.524004
where:
bonds (distance) C4'-P energy: -108.659
bonds (distance) P-C4' energy: -113.692
flat angles C4'-P-C4' energy: -114.119
flat angles P-C4'-P energy: -78.466
tors. eta vs tors. theta energy: -144.589
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: 3
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1557.635256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.635256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.635256 (E_RNA)
where:
Base-Base interactions energy: -1022.000
where: short stacking energy: -451.776
Base-Backbone interact. energy: 1.363
local terms energy: -536.998452
where:
bonds (distance) C4'-P energy: -99.889
bonds (distance) P-C4' energy: -121.898
flat angles C4'-P-C4' energy: -107.285
flat angles P-C4'-P energy: -86.807
tors. eta vs tors. theta energy: -121.119
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: 6, replica: 8
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1352.789717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.789717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.789717 (E_RNA)
where:
Base-Base interactions energy: -855.841
where: short stacking energy: -378.612
Base-Backbone interact. energy: -2.610
local terms energy: -494.338611
where:
bonds (distance) C4'-P energy: -96.702
bonds (distance) P-C4' energy: -99.265
flat angles C4'-P-C4' energy: -114.909
flat angles P-C4'-P energy: -82.489
tors. eta vs tors. theta energy: -100.973
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: 10
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1163.431504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.431504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.431504 (E_RNA)
where:
Base-Base interactions energy: -729.332
where: short stacking energy: -329.107
Base-Backbone interact. energy: -2.323
local terms energy: -431.776431
where:
bonds (distance) C4'-P energy: -98.812
bonds (distance) P-C4' energy: -95.579
flat angles C4'-P-C4' energy: -102.928
flat angles P-C4'-P energy: -64.228
tors. eta vs tors. theta energy: -70.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -866.504183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.504183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.504183 (E_RNA)
where:
Base-Base interactions energy: -453.301
where: short stacking energy: -259.773
Base-Backbone interact. energy: -0.624
local terms energy: -412.578617
where:
bonds (distance) C4'-P energy: -107.980
bonds (distance) P-C4' energy: -109.816
flat angles C4'-P-C4' energy: -94.268
flat angles P-C4'-P energy: -66.267
tors. eta vs tors. theta energy: -34.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -688.182745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.182745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.182745 (E_RNA)
where:
Base-Base interactions energy: -350.089
where: short stacking energy: -231.046
Base-Backbone interact. energy: 2.308
local terms energy: -340.402137
where:
bonds (distance) C4'-P energy: -100.239
bonds (distance) P-C4' energy: -86.432
flat angles C4'-P-C4' energy: -97.403
flat angles P-C4'-P energy: -41.304
tors. eta vs tors. theta energy: -15.025
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: 10, replica: 5
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -736.438457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.438457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.438457 (E_RNA)
where:
Base-Base interactions energy: -402.485
where: short stacking energy: -211.966
Base-Backbone interact. energy: -0.237
local terms energy: -333.716491
where:
bonds (distance) C4'-P energy: -104.038
bonds (distance) P-C4' energy: -98.723
flat angles C4'-P-C4' energy: -72.829
flat angles P-C4'-P energy: -43.563
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: 1, replica: 9
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -2015.561501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.561501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.561501 (E_RNA)
where:
Base-Base interactions energy: -1387.024
where: short stacking energy: -570.971
Base-Backbone interact. energy: -3.543
local terms energy: -624.994265
where:
bonds (distance) C4'-P energy: -123.718
bonds (distance) P-C4' energy: -112.211
flat angles C4'-P-C4' energy: -128.112
flat angles P-C4'-P energy: -91.028
tors. eta vs tors. theta energy: -169.926
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: 159
Temperature: 0.950000
Total energy: -1934.105757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.105757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.105757 (E_RNA)
where:
Base-Base interactions energy: -1325.383
where: short stacking energy: -535.032
Base-Backbone interact. energy: -1.680
local terms energy: -607.042763
where:
bonds (distance) C4'-P energy: -110.169
bonds (distance) P-C4' energy: -121.820
flat angles C4'-P-C4' energy: -126.925
flat angles P-C4'-P energy: -88.931
tors. eta vs tors. theta energy: -159.198
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: 1
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -1833.556573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.556573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.556573 (E_RNA)
where:
Base-Base interactions energy: -1231.847
where: short stacking energy: -535.182
Base-Backbone interact. energy: -3.176
local terms energy: -598.533745
where:
bonds (distance) C4'-P energy: -113.175
bonds (distance) P-C4' energy: -113.695
flat angles C4'-P-C4' energy: -121.244
flat angles P-C4'-P energy: -83.435
tors. eta vs tors. theta energy: -166.984
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: 4, replica: 7
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1686.582375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.582375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.582375 (E_RNA)
where:
Base-Base interactions energy: -1144.070
where: short stacking energy: -489.560
Base-Backbone interact. energy: -2.742
local terms energy: -539.769885
where:
bonds (distance) C4'-P energy: -101.921
bonds (distance) P-C4' energy: -110.975
flat angles C4'-P-C4' energy: -121.566
flat angles P-C4'-P energy: -64.842
tors. eta vs tors. theta energy: -140.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -1562.359253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.359253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.359253 (E_RNA)
where:
Base-Base interactions energy: -1027.275
where: short stacking energy: -442.883
Base-Backbone interact. energy: 5.195
local terms energy: -540.278641
where:
bonds (distance) C4'-P energy: -112.618
bonds (distance) P-C4' energy: -107.923
flat angles C4'-P-C4' energy: -127.195
flat angles P-C4'-P energy: -72.411
tors. eta vs tors. theta energy: -120.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1360.818663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.818663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.818663 (E_RNA)
where:
Base-Base interactions energy: -895.030
where: short stacking energy: -386.467
Base-Backbone interact. energy: -2.691
local terms energy: -463.097796
where:
bonds (distance) C4'-P energy: -94.225
bonds (distance) P-C4' energy: -103.540
flat angles C4'-P-C4' energy: -108.735
flat angles P-C4'-P energy: -65.719
tors. eta vs tors. theta energy: -90.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1154.273347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.273347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.273347 (E_RNA)
where:
Base-Base interactions energy: -749.449
where: short stacking energy: -343.665
Base-Backbone interact. energy: -0.962
local terms energy: -403.861581
where:
bonds (distance) C4'-P energy: -88.819
bonds (distance) P-C4' energy: -91.502
flat angles C4'-P-C4' energy: -105.284
flat angles P-C4'-P energy: -54.379
tors. eta vs tors. theta energy: -63.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -815.961974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.961974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.961974 (E_RNA)
where:
Base-Base interactions energy: -431.869
where: short stacking energy: -245.349
Base-Backbone interact. energy: -0.199
local terms energy: -383.894251
where:
bonds (distance) C4'-P energy: -114.198
bonds (distance) P-C4' energy: -92.337
flat angles C4'-P-C4' energy: -84.453
flat angles P-C4'-P energy: -57.987
tors. eta vs tors. theta energy: -34.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -638.987849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.987849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.987849 (E_RNA)
where:
Base-Base interactions energy: -300.659
where: short stacking energy: -174.846
Base-Backbone interact. energy: -0.078
local terms energy: -338.250792
where:
bonds (distance) C4'-P energy: -96.796
bonds (distance) P-C4' energy: -100.896
flat angles C4'-P-C4' energy: -87.120
flat angles P-C4'-P energy: -57.712
tors. eta vs tors. theta energy: 4.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -760.284369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.284369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.284369 (E_RNA)
where:
Base-Base interactions energy: -446.854
where: short stacking energy: -240.001
Base-Backbone interact. energy: 2.609
local terms energy: -316.039521
where:
bonds (distance) C4'-P energy: -95.677
bonds (distance) P-C4' energy: -81.343
flat angles C4'-P-C4' energy: -84.237
flat angles P-C4'-P energy: -40.215
tors. eta vs tors. theta energy: -14.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -2047.002056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.002056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.002056 (E_RNA)
where:
Base-Base interactions energy: -1416.487
where: short stacking energy: -574.924
Base-Backbone interact. energy: -1.455
local terms energy: -629.060614
where:
bonds (distance) C4'-P energy: -121.225
bonds (distance) P-C4' energy: -116.941
flat angles C4'-P-C4' energy: -135.935
flat angles P-C4'-P energy: -90.245
tors. eta vs tors. theta energy: -164.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1949.945767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.945767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.945767 (E_RNA)
where:
Base-Base interactions energy: -1345.624
where: short stacking energy: -549.214
Base-Backbone interact. energy: -0.276
local terms energy: -604.046115
where:
bonds (distance) C4'-P energy: -110.737
bonds (distance) P-C4' energy: -108.858
flat angles C4'-P-C4' energy: -133.265
flat angles P-C4'-P energy: -87.335
tors. eta vs tors. theta energy: -163.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -1864.362995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.362995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.362995 (E_RNA)
where:
Base-Base interactions energy: -1262.098
where: short stacking energy: -544.141
Base-Backbone interact. energy: -4.892
local terms energy: -597.372928
where:
bonds (distance) C4'-P energy: -99.106
bonds (distance) P-C4' energy: -115.245
flat angles C4'-P-C4' energy: -118.850
flat angles P-C4'-P energy: -88.610
tors. eta vs tors. theta energy: -175.563
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: 7
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -1721.005037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.005037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.005037 (E_RNA)
where:
Base-Base interactions energy: -1197.535
where: short stacking energy: -487.946
Base-Backbone interact. energy: 0.221
local terms energy: -523.691384
where:
bonds (distance) C4'-P energy: -82.042
bonds (distance) P-C4' energy: -105.221
flat angles C4'-P-C4' energy: -121.168
flat angles P-C4'-P energy: -84.500
tors. eta vs tors. theta energy: -130.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1552.038434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.038434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.038434 (E_RNA)
where:
Base-Base interactions energy: -1038.051
where: short stacking energy: -436.220
Base-Backbone interact. energy: -0.313
local terms energy: -513.674424
where:
bonds (distance) C4'-P energy: -106.787
bonds (distance) P-C4' energy: -93.008
flat angles C4'-P-C4' energy: -115.162
flat angles P-C4'-P energy: -76.308
tors. eta vs tors. theta energy: -122.410
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: 8
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -1433.375064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.375064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.375064 (E_RNA)
where:
Base-Base interactions energy: -954.330
where: short stacking energy: -387.066
Base-Backbone interact. energy: -1.394
local terms energy: -477.650773
where:
bonds (distance) C4'-P energy: -96.214
bonds (distance) P-C4' energy: -98.779
flat angles C4'-P-C4' energy: -113.289
flat angles P-C4'-P energy: -77.023
tors. eta vs tors. theta energy: -92.346
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: 10
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -1194.195638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.195638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.195638 (E_RNA)
where:
Base-Base interactions energy: -726.853
where: short stacking energy: -342.026
Base-Backbone interact. energy: 0.003
local terms energy: -467.345627
where:
bonds (distance) C4'-P energy: -102.077
bonds (distance) P-C4' energy: -105.697
flat angles C4'-P-C4' energy: -106.793
flat angles P-C4'-P energy: -84.912
tors. eta vs tors. theta energy: -67.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -833.967506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.967506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.967506 (E_RNA)
where:
Base-Base interactions energy: -441.016
where: short stacking energy: -232.382
Base-Backbone interact. energy: -3.861
local terms energy: -389.090386
where:
bonds (distance) C4'-P energy: -99.910
bonds (distance) P-C4' energy: -107.222
flat angles C4'-P-C4' energy: -85.919
flat angles P-C4'-P energy: -67.671
tors. eta vs tors. theta energy: -28.369
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: 9, replica: 5
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -754.714877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.714877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.714877 (E_RNA)
where:
Base-Base interactions energy: -393.904
where: short stacking energy: -218.563
Base-Backbone interact. energy: 7.477
local terms energy: -368.288122
where:
bonds (distance) C4'-P energy: -90.782
bonds (distance) P-C4' energy: -108.949
flat angles C4'-P-C4' energy: -90.463
flat angles P-C4'-P energy: -57.315
tors. eta vs tors. theta energy: -20.779
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: 2
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -688.629721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.629721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.629721 (E_RNA)
where:
Base-Base interactions energy: -358.681
where: short stacking energy: -186.071
Base-Backbone interact. energy: 0.268
local terms energy: -330.217188
where:
bonds (distance) C4'-P energy: -103.648
bonds (distance) P-C4' energy: -82.338
flat angles C4'-P-C4' energy: -91.027
flat angles P-C4'-P energy: -43.428
tors. eta vs tors. theta energy: -9.776
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: 9
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -2024.687298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.687298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.687298 (E_RNA)
where:
Base-Base interactions energy: -1398.603
where: short stacking energy: -577.018
Base-Backbone interact. energy: 1.906
local terms energy: -627.990115
where:
bonds (distance) C4'-P energy: -120.555
bonds (distance) P-C4' energy: -122.609
flat angles C4'-P-C4' energy: -127.931
flat angles P-C4'-P energy: -94.385
tors. eta vs tors. theta energy: -162.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1943.757247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.757247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.757247 (E_RNA)
where:
Base-Base interactions energy: -1361.566
where: short stacking energy: -556.640
Base-Backbone interact. energy: -4.090
local terms energy: -578.101562
where:
bonds (distance) C4'-P energy: -101.158
bonds (distance) P-C4' energy: -109.444
flat angles C4'-P-C4' energy: -128.357
flat angles P-C4'-P energy: -78.083
tors. eta vs tors. theta energy: -161.059
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: 3, replica: 1
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1839.746457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.746457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.746457 (E_RNA)
where:
Base-Base interactions energy: -1228.722
where: short stacking energy: -539.371
Base-Backbone interact. energy: -3.705
local terms energy: -607.319524
where:
bonds (distance) C4'-P energy: -126.018
bonds (distance) P-C4' energy: -108.180
flat angles C4'-P-C4' energy: -121.129
flat angles P-C4'-P energy: -84.464
tors. eta vs tors. theta energy: -167.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -1752.596494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.596494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.596494 (E_RNA)
where:
Base-Base interactions energy: -1210.945
where: short stacking energy: -518.226
Base-Backbone interact. energy: -1.649
local terms energy: -540.002132
where:
bonds (distance) C4'-P energy: -96.880
bonds (distance) P-C4' energy: -100.144
flat angles C4'-P-C4' energy: -120.052
flat angles P-C4'-P energy: -77.573
tors. eta vs tors. theta energy: -145.353
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: 5, replica: 3
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1562.598764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.598764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.598764 (E_RNA)
where:
Base-Base interactions energy: -1049.091
where: short stacking energy: -449.241
Base-Backbone interact. energy: -2.794
local terms energy: -510.713435
where:
bonds (distance) C4'-P energy: -101.307
bonds (distance) P-C4' energy: -100.976
flat angles C4'-P-C4' energy: -116.132
flat angles P-C4'-P energy: -66.722
tors. eta vs tors. theta energy: -125.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1493.632098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.632098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.632098 (E_RNA)
where:
Base-Base interactions energy: -1008.489
where: short stacking energy: -411.891
Base-Backbone interact. energy: 0.564
local terms energy: -485.706282
where:
bonds (distance) C4'-P energy: -93.466
bonds (distance) P-C4' energy: -118.831
flat angles C4'-P-C4' energy: -95.261
flat angles P-C4'-P energy: -71.051
tors. eta vs tors. theta energy: -107.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1211.605496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.605496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.605496 (E_RNA)
where:
Base-Base interactions energy: -752.036
where: short stacking energy: -341.994
Base-Backbone interact. energy: -3.146
local terms energy: -456.423671
where:
bonds (distance) C4'-P energy: -113.884
bonds (distance) P-C4' energy: -92.811
flat angles C4'-P-C4' energy: -102.494
flat angles P-C4'-P energy: -76.967
tors. eta vs tors. theta energy: -70.266
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: 5
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -807.168306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.168306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.168306 (E_RNA)
where:
Base-Base interactions energy: -430.777
where: short stacking energy: -186.089
Base-Backbone interact. energy: -2.933
local terms energy: -373.457820
where:
bonds (distance) C4'-P energy: -91.935
bonds (distance) P-C4' energy: -108.886
flat angles C4'-P-C4' energy: -95.171
flat angles P-C4'-P energy: -63.607
tors. eta vs tors. theta energy: -13.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -755.128935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.128935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.128935 (E_RNA)
where:
Base-Base interactions energy: -387.609
where: short stacking energy: -218.620
Base-Backbone interact. energy: -1.854
local terms energy: -365.665272
where:
bonds (distance) C4'-P energy: -103.941
bonds (distance) P-C4' energy: -96.302
flat angles C4'-P-C4' energy: -91.585
flat angles P-C4'-P energy: -36.109
tors. eta vs tors. theta energy: -37.728
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: 2
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -679.153589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.153589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.153589 (E_RNA)
where:
Base-Base interactions energy: -339.192
where: short stacking energy: -197.245
Base-Backbone interact. energy: -1.010
local terms energy: -338.950985
where:
bonds (distance) C4'-P energy: -101.920
bonds (distance) P-C4' energy: -93.074
flat angles C4'-P-C4' energy: -84.203
flat angles P-C4'-P energy: -37.079
tors. eta vs tors. theta energy: -22.674
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: 1, replica: 9
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -2038.758032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.758032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.758032 (E_RNA)
where:
Base-Base interactions energy: -1379.033
where: short stacking energy: -594.068
Base-Backbone interact. energy: -3.970
local terms energy: -655.754537
where:
bonds (distance) C4'-P energy: -118.137
bonds (distance) P-C4' energy: -122.208
flat angles C4'-P-C4' energy: -139.372
flat angles P-C4'-P energy: -97.368
tors. eta vs tors. theta energy: -178.670
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: 2, replica: 4
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1951.148274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.148274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.148274 (E_RNA)
where:
Base-Base interactions energy: -1311.518
where: short stacking energy: -557.195
Base-Backbone interact. energy: 1.027
local terms energy: -640.657779
where:
bonds (distance) C4'-P energy: -128.520
bonds (distance) P-C4' energy: -126.356
flat angles C4'-P-C4' energy: -132.209
flat angles P-C4'-P energy: -90.486
tors. eta vs tors. theta energy: -163.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -1839.577698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.577698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.577698 (E_RNA)
where:
Base-Base interactions energy: -1242.685
where: short stacking energy: -525.134
Base-Backbone interact. energy: -1.359
local terms energy: -595.533454
where:
bonds (distance) C4'-P energy: -95.904
bonds (distance) P-C4' energy: -115.728
flat angles C4'-P-C4' energy: -125.528
flat angles P-C4'-P energy: -90.791
tors. eta vs tors. theta energy: -167.583
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: 7
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -1719.779489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.779489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.779489 (E_RNA)
where:
Base-Base interactions energy: -1157.677
where: short stacking energy: -488.058
Base-Backbone interact. energy: -0.859
local terms energy: -561.243584
where:
bonds (distance) C4'-P energy: -108.032
bonds (distance) P-C4' energy: -116.785
flat angles C4'-P-C4' energy: -126.713
flat angles P-C4'-P energy: -67.508
tors. eta vs tors. theta energy: -142.205
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: 162
Temperature: 1.100000
Total energy: -1538.848414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.848414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.848414 (E_RNA)
where:
Base-Base interactions energy: -1025.648
where: short stacking energy: -458.010
Base-Backbone interact. energy: -1.985
local terms energy: -511.215865
where:
bonds (distance) C4'-P energy: -98.358
bonds (distance) P-C4' energy: -114.180
flat angles C4'-P-C4' energy: -119.297
flat angles P-C4'-P energy: -66.855
tors. eta vs tors. theta energy: -112.526
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: 6, replica: 3
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -1460.229286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.229286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.229286 (E_RNA)
where:
Base-Base interactions energy: -976.346
where: short stacking energy: -420.186
Base-Backbone interact. energy: -2.511
local terms energy: -481.371818
where:
bonds (distance) C4'-P energy: -93.057
bonds (distance) P-C4' energy: -90.943
flat angles C4'-P-C4' energy: -118.508
flat angles P-C4'-P energy: -70.499
tors. eta vs tors. theta energy: -108.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1297.075541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.075541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.075541 (E_RNA)
where:
Base-Base interactions energy: -833.203
where: short stacking energy: -379.795
Base-Backbone interact. energy: 0.946
local terms energy: -464.818285
where:
bonds (distance) C4'-P energy: -89.623
bonds (distance) P-C4' energy: -108.723
flat angles C4'-P-C4' energy: -102.046
flat angles P-C4'-P energy: -72.210
tors. eta vs tors. theta energy: -92.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -826.051453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.051453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.051453 (E_RNA)
where:
Base-Base interactions energy: -468.281
where: short stacking energy: -247.967
Base-Backbone interact. energy: 0.805
local terms energy: -358.575726
where:
bonds (distance) C4'-P energy: -90.355
bonds (distance) P-C4' energy: -102.041
flat angles C4'-P-C4' energy: -88.487
flat angles P-C4'-P energy: -44.084
tors. eta vs tors. theta energy: -33.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -761.198542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.198542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.198542 (E_RNA)
where:
Base-Base interactions energy: -422.519
where: short stacking energy: -237.974
Base-Backbone interact. energy: 0.215
local terms energy: -338.894745
where:
bonds (distance) C4'-P energy: -83.673
bonds (distance) P-C4' energy: -101.751
flat angles C4'-P-C4' energy: -94.815
flat angles P-C4'-P energy: -32.883
tors. eta vs tors. theta energy: -25.772
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: 2
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -636.209193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.209193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.209193 (E_RNA)
where:
Base-Base interactions energy: -319.468
where: short stacking energy: -168.596
Base-Backbone interact. energy: 1.711
local terms energy: -318.452931
where:
bonds (distance) C4'-P energy: -104.153
bonds (distance) P-C4' energy: -92.315
flat angles C4'-P-C4' energy: -80.803
flat angles P-C4'-P energy: -43.553
tors. eta vs tors. theta energy: 2.371
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: 9
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -2024.670354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.670354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.670354 (E_RNA)
where:
Base-Base interactions energy: -1390.224
where: short stacking energy: -570.468
Base-Backbone interact. energy: -6.852
local terms energy: -627.594525
where:
bonds (distance) C4'-P energy: -111.457
bonds (distance) P-C4' energy: -126.108
flat angles C4'-P-C4' energy: -135.607
flat angles P-C4'-P energy: -90.754
tors. eta vs tors. theta energy: -163.668
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: 4
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1957.763071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.763071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.763071 (E_RNA)
where:
Base-Base interactions energy: -1338.799
where: short stacking energy: -538.405
Base-Backbone interact. energy: 3.253
local terms energy: -622.217030
where:
bonds (distance) C4'-P energy: -119.069
bonds (distance) P-C4' energy: -119.166
flat angles C4'-P-C4' energy: -136.741
flat angles P-C4'-P energy: -83.828
tors. eta vs tors. theta energy: -163.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -1814.726060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.726060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.726060 (E_RNA)
where:
Base-Base interactions energy: -1234.562
where: short stacking energy: -539.585
Base-Backbone interact. energy: -1.776
local terms energy: -578.388629
where:
bonds (distance) C4'-P energy: -103.522
bonds (distance) P-C4' energy: -115.239
flat angles C4'-P-C4' energy: -118.654
flat angles P-C4'-P energy: -82.902
tors. eta vs tors. theta energy: -158.072
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: 4, replica: 7
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -1729.576248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.576248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.576248 (E_RNA)
where:
Base-Base interactions energy: -1175.586
where: short stacking energy: -500.374
Base-Backbone interact. energy: -1.078
local terms energy: -552.911839
where:
bonds (distance) C4'-P energy: -111.182
bonds (distance) P-C4' energy: -98.251
flat angles C4'-P-C4' energy: -129.109
flat angles P-C4'-P energy: -65.972
tors. eta vs tors. theta energy: -148.398
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: 163
Temperature: 1.100000
Total energy: -1547.714795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.714795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.714795 (E_RNA)
where:
Base-Base interactions energy: -1026.318
where: short stacking energy: -435.759
Base-Backbone interact. energy: -1.111
local terms energy: -520.286661
where:
bonds (distance) C4'-P energy: -98.575
bonds (distance) P-C4' energy: -109.161
flat angles C4'-P-C4' energy: -109.185
flat angles P-C4'-P energy: -87.201
tors. eta vs tors. theta energy: -116.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -1439.025540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.025540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.025540 (E_RNA)
where:
Base-Base interactions energy: -967.315
where: short stacking energy: -423.053
Base-Backbone interact. energy: 0.368
local terms energy: -472.078571
where:
bonds (distance) C4'-P energy: -86.541
bonds (distance) P-C4' energy: -97.666
flat angles C4'-P-C4' energy: -117.905
flat angles P-C4'-P energy: -61.422
tors. eta vs tors. theta energy: -108.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -1283.773930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.773930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.773930 (E_RNA)
where:
Base-Base interactions energy: -837.916
where: short stacking energy: -390.666
Base-Backbone interact. energy: 0.451
local terms energy: -446.308364
where:
bonds (distance) C4'-P energy: -108.727
bonds (distance) P-C4' energy: -100.671
flat angles C4'-P-C4' energy: -97.110
flat angles P-C4'-P energy: -51.872
tors. eta vs tors. theta energy: -87.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -858.944017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.944017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.944017 (E_RNA)
where:
Base-Base interactions energy: -458.993
where: short stacking energy: -231.161
Base-Backbone interact. energy: 0.387
local terms energy: -400.338464
where:
bonds (distance) C4'-P energy: -99.370
bonds (distance) P-C4' energy: -104.860
flat angles C4'-P-C4' energy: -98.925
flat angles P-C4'-P energy: -60.797
tors. eta vs tors. theta energy: -36.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -772.710296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.710296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.710296 (E_RNA)
where:
Base-Base interactions energy: -412.856
where: short stacking energy: -201.120
Base-Backbone interact. energy: 1.559
local terms energy: -361.413388
where:
bonds (distance) C4'-P energy: -91.799
bonds (distance) P-C4' energy: -106.237
flat angles C4'-P-C4' energy: -87.314
flat angles P-C4'-P energy: -51.644
tors. eta vs tors. theta energy: -24.419
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: 2
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -702.399897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.399897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.399897 (E_RNA)
where:
Base-Base interactions energy: -337.355
where: short stacking energy: -209.228
Base-Backbone interact. energy: 2.741
local terms energy: -367.785436
where:
bonds (distance) C4'-P energy: -89.781
bonds (distance) P-C4' energy: -97.933
flat angles C4'-P-C4' energy: -98.638
flat angles P-C4'-P energy: -70.093
tors. eta vs tors. theta energy: -11.341
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: 9
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -2033.163797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.163797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.163797 (E_RNA)
where:
Base-Base interactions energy: -1400.534
where: short stacking energy: -594.522
Base-Backbone interact. energy: -1.447
local terms energy: -631.183361
where:
bonds (distance) C4'-P energy: -121.167
bonds (distance) P-C4' energy: -117.425
flat angles C4'-P-C4' energy: -137.016
flat angles P-C4'-P energy: -84.507
tors. eta vs tors. theta energy: -171.067
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: 2, replica: 4
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1940.381763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.381763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.381763 (E_RNA)
where:
Base-Base interactions energy: -1337.477
where: short stacking energy: -536.044
Base-Backbone interact. energy: -1.147
local terms energy: -601.757452
where:
bonds (distance) C4'-P energy: -108.174
bonds (distance) P-C4' energy: -110.859
flat angles C4'-P-C4' energy: -119.347
flat angles P-C4'-P energy: -94.175
tors. eta vs tors. theta energy: -169.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -1825.573057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.573057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.573057 (E_RNA)
where:
Base-Base interactions energy: -1234.167
where: short stacking energy: -568.439
Base-Backbone interact. energy: -1.609
local terms energy: -589.796591
where:
bonds (distance) C4'-P energy: -98.198
bonds (distance) P-C4' energy: -115.729
flat angles C4'-P-C4' energy: -132.029
flat angles P-C4'-P energy: -82.342
tors. eta vs tors. theta energy: -161.499
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: 7
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -1774.784236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.784236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.784236 (E_RNA)
where:
Base-Base interactions energy: -1210.020
where: short stacking energy: -501.026
Base-Backbone interact. energy: -1.571
local terms energy: -563.193763
where:
bonds (distance) C4'-P energy: -115.001
bonds (distance) P-C4' energy: -103.707
flat angles C4'-P-C4' energy: -117.142
flat angles P-C4'-P energy: -71.734
tors. eta vs tors. theta energy: -155.610
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: 164
Temperature: 1.100000
Total energy: -1557.977604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.977604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.977604 (E_RNA)
where:
Base-Base interactions energy: -1071.771
where: short stacking energy: -456.218
Base-Backbone interact. energy: -1.459
local terms energy: -484.747033
where:
bonds (distance) C4'-P energy: -88.155
bonds (distance) P-C4' energy: -92.243
flat angles C4'-P-C4' energy: -105.771
flat angles P-C4'-P energy: -76.664
tors. eta vs tors. theta energy: -121.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -1460.889148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.889148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.889148 (E_RNA)
where:
Base-Base interactions energy: -966.143
where: short stacking energy: -400.550
Base-Backbone interact. energy: -0.290
local terms energy: -494.456190
where:
bonds (distance) C4'-P energy: -98.722
bonds (distance) P-C4' energy: -107.242
flat angles C4'-P-C4' energy: -119.112
flat angles P-C4'-P energy: -53.918
tors. eta vs tors. theta energy: -115.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -1297.354146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.354146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.354146 (E_RNA)
where:
Base-Base interactions energy: -817.385
where: short stacking energy: -369.722
Base-Backbone interact. energy: -1.441
local terms energy: -478.527494
where:
bonds (distance) C4'-P energy: -86.386
bonds (distance) P-C4' energy: -106.384
flat angles C4'-P-C4' energy: -119.882
flat angles P-C4'-P energy: -63.242
tors. eta vs tors. theta energy: -102.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -861.187651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.187651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.187651 (E_RNA)
where:
Base-Base interactions energy: -483.720
where: short stacking energy: -257.254
Base-Backbone interact. energy: -0.557
local terms energy: -376.911594
where:
bonds (distance) C4'-P energy: -90.267
bonds (distance) P-C4' energy: -102.983
flat angles C4'-P-C4' energy: -100.092
flat angles P-C4'-P energy: -53.570
tors. eta vs tors. theta energy: -29.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -733.731924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.731924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.731924 (E_RNA)
where:
Base-Base interactions energy: -398.050
where: short stacking energy: -191.283
Base-Backbone interact. energy: 0.623
local terms energy: -336.304602
where:
bonds (distance) C4'-P energy: -101.967
bonds (distance) P-C4' energy: -100.123
flat angles C4'-P-C4' energy: -87.660
flat angles P-C4'-P energy: -45.751
tors. eta vs tors. theta energy: -0.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -685.485606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.485606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.485606 (E_RNA)
where:
Base-Base interactions energy: -360.677
where: short stacking energy: -196.418
Base-Backbone interact. energy: 2.092
local terms energy: -326.900288
where:
bonds (distance) C4'-P energy: -82.595
bonds (distance) P-C4' energy: -96.651
flat angles C4'-P-C4' energy: -95.142
flat angles P-C4'-P energy: -61.696
tors. eta vs tors. theta energy: 9.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -2029.067272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.067272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.067272 (E_RNA)
where:
Base-Base interactions energy: -1386.413
where: short stacking energy: -587.855
Base-Backbone interact. energy: -4.611
local terms energy: -638.043516
where:
bonds (distance) C4'-P energy: -118.523
bonds (distance) P-C4' energy: -124.997
flat angles C4'-P-C4' energy: -142.135
flat angles P-C4'-P energy: -85.383
tors. eta vs tors. theta energy: -167.005
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: 4
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1955.777268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.777268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.777268 (E_RNA)
where:
Base-Base interactions energy: -1353.515
where: short stacking energy: -535.565
Base-Backbone interact. energy: 4.319
local terms energy: -606.581013
where:
bonds (distance) C4'-P energy: -115.846
bonds (distance) P-C4' energy: -107.436
flat angles C4'-P-C4' energy: -132.677
flat angles P-C4'-P energy: -83.459
tors. eta vs tors. theta energy: -167.162
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: 3, replica: 1
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -1826.454854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.454854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.454854 (E_RNA)
where:
Base-Base interactions energy: -1235.527
where: short stacking energy: -514.893
Base-Backbone interact. energy: 0.362
local terms energy: -591.290403
where:
bonds (distance) C4'-P energy: -104.958
bonds (distance) P-C4' energy: -118.978
flat angles C4'-P-C4' energy: -126.540
flat angles P-C4'-P energy: -79.279
tors. eta vs tors. theta energy: -161.536
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: 165
Temperature: 1.050000
Total energy: -1720.887503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.887503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.887503 (E_RNA)
where:
Base-Base interactions energy: -1143.286
where: short stacking energy: -493.929
Base-Backbone interact. energy: -1.000
local terms energy: -576.601023
where:
bonds (distance) C4'-P energy: -112.528
bonds (distance) P-C4' energy: -114.485
flat angles C4'-P-C4' energy: -120.956
flat angles P-C4'-P energy: -88.011
tors. eta vs tors. theta energy: -140.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1614.687173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.687173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.687173 (E_RNA)
where:
Base-Base interactions energy: -1102.958
where: short stacking energy: -463.061
Base-Backbone interact. energy: -1.384
local terms energy: -510.345389
where:
bonds (distance) C4'-P energy: -110.602
bonds (distance) P-C4' energy: -90.384
flat angles C4'-P-C4' energy: -103.832
flat angles P-C4'-P energy: -72.425
tors. eta vs tors. theta energy: -133.102
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: 3
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1435.073760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.073760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.073760 (E_RNA)
where:
Base-Base interactions energy: -924.989
where: short stacking energy: -388.118
Base-Backbone interact. energy: 0.782
local terms energy: -510.866396
where:
bonds (distance) C4'-P energy: -101.819
bonds (distance) P-C4' energy: -112.822
flat angles C4'-P-C4' energy: -113.902
flat angles P-C4'-P energy: -69.101
tors. eta vs tors. theta energy: -113.222
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: 7, replica: 10
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1403.725982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.725982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.725982 (E_RNA)
where:
Base-Base interactions energy: -910.414
where: short stacking energy: -401.682
Base-Backbone interact. energy: -3.862
local terms energy: -489.449935
where:
bonds (distance) C4'-P energy: -108.905
bonds (distance) P-C4' energy: -107.919
flat angles C4'-P-C4' energy: -96.813
flat angles P-C4'-P energy: -64.958
tors. eta vs tors. theta energy: -110.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -798.821954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.821954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.821954 (E_RNA)
where:
Base-Base interactions energy: -391.266
where: short stacking energy: -234.855
Base-Backbone interact. energy: -1.711
local terms energy: -405.845004
where:
bonds (distance) C4'-P energy: -104.135
bonds (distance) P-C4' energy: -101.643
flat angles C4'-P-C4' energy: -99.364
flat angles P-C4'-P energy: -66.974
tors. eta vs tors. theta energy: -33.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -794.237883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.237883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.237883 (E_RNA)
where:
Base-Base interactions energy: -461.148
where: short stacking energy: -222.355
Base-Backbone interact. energy: 2.353
local terms energy: -335.442417
where:
bonds (distance) C4'-P energy: -80.796
bonds (distance) P-C4' energy: -90.841
flat angles C4'-P-C4' energy: -88.296
flat angles P-C4'-P energy: -46.675
tors. eta vs tors. theta energy: -28.835
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: 10, replica: 2
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -590.883540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.883540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.883540 (E_RNA)
where:
Base-Base interactions energy: -277.018
where: short stacking energy: -132.650
Base-Backbone interact. energy: -1.643
local terms energy: -312.222321
where:
bonds (distance) C4'-P energy: -105.508
bonds (distance) P-C4' energy: -100.549
flat angles C4'-P-C4' energy: -78.648
flat angles P-C4'-P energy: -41.205
tors. eta vs tors. theta energy: 13.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1966.273030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.273030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.273030 (E_RNA)
where:
Base-Base interactions energy: -1340.834
where: short stacking energy: -566.802
Base-Backbone interact. energy: -2.479
local terms energy: -622.960119
where:
bonds (distance) C4'-P energy: -127.063
bonds (distance) P-C4' energy: -125.225
flat angles C4'-P-C4' energy: -132.646
flat angles P-C4'-P energy: -86.213
tors. eta vs tors. theta energy: -151.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1940.672487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.672487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.672487 (E_RNA)
where:
Base-Base interactions energy: -1342.513
where: short stacking energy: -546.752
Base-Backbone interact. energy: -1.334
local terms energy: -596.824977
where:
bonds (distance) C4'-P energy: -105.776
bonds (distance) P-C4' energy: -116.682
flat angles C4'-P-C4' energy: -132.865
flat angles P-C4'-P energy: -70.739
tors. eta vs tors. theta energy: -170.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1835.690868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.690868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.690868 (E_RNA)
where:
Base-Base interactions energy: -1241.701
where: short stacking energy: -534.104
Base-Backbone interact. energy: -0.396
local terms energy: -593.593651
where:
bonds (distance) C4'-P energy: -115.300
bonds (distance) P-C4' energy: -117.706
flat angles C4'-P-C4' energy: -115.700
flat angles P-C4'-P energy: -79.625
tors. eta vs tors. theta energy: -165.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1718.095048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.095048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.095048 (E_RNA)
where:
Base-Base interactions energy: -1160.033
where: short stacking energy: -507.394
Base-Backbone interact. energy: -1.943
local terms energy: -556.119034
where:
bonds (distance) C4'-P energy: -119.538
bonds (distance) P-C4' energy: -109.534
flat angles C4'-P-C4' energy: -117.594
flat angles P-C4'-P energy: -61.423
tors. eta vs tors. theta energy: -148.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1600.867635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.867635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.867635 (E_RNA)
where:
Base-Base interactions energy: -1079.855
where: short stacking energy: -469.807
Base-Backbone interact. energy: 1.199
local terms energy: -522.212180
where:
bonds (distance) C4'-P energy: -92.284
bonds (distance) P-C4' energy: -109.389
flat angles C4'-P-C4' energy: -110.185
flat angles P-C4'-P energy: -83.209
tors. eta vs tors. theta energy: -127.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -1448.416270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.416270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.416270 (E_RNA)
where:
Base-Base interactions energy: -961.352
where: short stacking energy: -398.117
Base-Backbone interact. energy: -1.342
local terms energy: -485.721750
where:
bonds (distance) C4'-P energy: -101.228
bonds (distance) P-C4' energy: -102.437
flat angles C4'-P-C4' energy: -98.238
flat angles P-C4'-P energy: -81.602
tors. eta vs tors. theta energy: -102.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1434.788554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.788554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.788554 (E_RNA)
where:
Base-Base interactions energy: -932.912
where: short stacking energy: -419.432
Base-Backbone interact. energy: -1.271
local terms energy: -500.605382
where:
bonds (distance) C4'-P energy: -96.957
bonds (distance) P-C4' energy: -112.053
flat angles C4'-P-C4' energy: -102.942
flat angles P-C4'-P energy: -74.029
tors. eta vs tors. theta energy: -114.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -825.053686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.053686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.053686 (E_RNA)
where:
Base-Base interactions energy: -447.703
where: short stacking energy: -227.003
Base-Backbone interact. energy: -2.447
local terms energy: -374.902817
where:
bonds (distance) C4'-P energy: -90.962
bonds (distance) P-C4' energy: -115.719
flat angles C4'-P-C4' energy: -94.329
flat angles P-C4'-P energy: -53.783
tors. eta vs tors. theta energy: -20.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -820.245446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.245446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.245446 (E_RNA)
where:
Base-Base interactions energy: -465.402
where: short stacking energy: -225.899
Base-Backbone interact. energy: -0.154
local terms energy: -354.689424
where:
bonds (distance) C4'-P energy: -96.370
bonds (distance) P-C4' energy: -114.182
flat angles C4'-P-C4' energy: -80.657
flat angles P-C4'-P energy: -42.851
tors. eta vs tors. theta energy: -20.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -607.866119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.866119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.866119 (E_RNA)
where:
Base-Base interactions energy: -282.212
where: short stacking energy: -172.289
Base-Backbone interact. energy: 0.286
local terms energy: -325.940538
where:
bonds (distance) C4'-P energy: -112.126
bonds (distance) P-C4' energy: -75.931
flat angles C4'-P-C4' energy: -85.514
flat angles P-C4'-P energy: -53.472
tors. eta vs tors. theta energy: 1.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -2001.004274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.004274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.004274 (E_RNA)
where:
Base-Base interactions energy: -1349.290
where: short stacking energy: -580.828
Base-Backbone interact. energy: -3.400
local terms energy: -648.315034
where:
bonds (distance) C4'-P energy: -123.109
bonds (distance) P-C4' energy: -126.034
flat angles C4'-P-C4' energy: -134.504
flat angles P-C4'-P energy: -90.594
tors. eta vs tors. theta energy: -174.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1948.185623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.185623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.185623 (E_RNA)
where:
Base-Base interactions energy: -1328.037
where: short stacking energy: -543.204
Base-Backbone interact. energy: 0.122
local terms energy: -620.271192
where:
bonds (distance) C4'-P energy: -107.406
bonds (distance) P-C4' energy: -121.511
flat angles C4'-P-C4' energy: -125.578
flat angles P-C4'-P energy: -97.623
tors. eta vs tors. theta energy: -168.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1856.067817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.067817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.067817 (E_RNA)
where:
Base-Base interactions energy: -1247.350
where: short stacking energy: -555.576
Base-Backbone interact. energy: -3.568
local terms energy: -605.150047
where:
bonds (distance) C4'-P energy: -116.948
bonds (distance) P-C4' energy: -108.500
flat angles C4'-P-C4' energy: -128.529
flat angles P-C4'-P energy: -79.429
tors. eta vs tors. theta energy: -171.744
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: 4, replica: 7
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1762.059915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.059915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.059915 (E_RNA)
where:
Base-Base interactions energy: -1188.900
where: short stacking energy: -482.346
Base-Backbone interact. energy: -2.577
local terms energy: -570.583434
where:
bonds (distance) C4'-P energy: -109.675
bonds (distance) P-C4' energy: -106.628
flat angles C4'-P-C4' energy: -134.253
flat angles P-C4'-P energy: -75.477
tors. eta vs tors. theta energy: -144.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -1618.023269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.023269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.023269 (E_RNA)
where:
Base-Base interactions energy: -1096.438
where: short stacking energy: -481.589
Base-Backbone interact. energy: 0.085
local terms energy: -521.669791
where:
bonds (distance) C4'-P energy: -97.034
bonds (distance) P-C4' energy: -113.490
flat angles C4'-P-C4' energy: -118.634
flat angles P-C4'-P energy: -72.225
tors. eta vs tors. theta energy: -120.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -1514.947244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.947244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.947244 (E_RNA)
where:
Base-Base interactions energy: -1007.136
where: short stacking energy: -425.633
Base-Backbone interact. energy: -2.262
local terms energy: -505.549378
where:
bonds (distance) C4'-P energy: -95.191
bonds (distance) P-C4' energy: -106.418
flat angles C4'-P-C4' energy: -117.334
flat angles P-C4'-P energy: -68.709
tors. eta vs tors. theta energy: -117.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1407.157566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.157566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.157566 (E_RNA)
where:
Base-Base interactions energy: -923.787
where: short stacking energy: -399.432
Base-Backbone interact. energy: 3.413
local terms energy: -486.783857
where:
bonds (distance) C4'-P energy: -115.171
bonds (distance) P-C4' energy: -102.895
flat angles C4'-P-C4' energy: -112.196
flat angles P-C4'-P energy: -55.521
tors. eta vs tors. theta energy: -101.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -966.875492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.875492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.875492 (E_RNA)
where:
Base-Base interactions energy: -570.917
where: short stacking energy: -280.166
Base-Backbone interact. energy: 4.474
local terms energy: -400.431907
where:
bonds (distance) C4'-P energy: -97.908
bonds (distance) P-C4' energy: -104.751
flat angles C4'-P-C4' energy: -94.031
flat angles P-C4'-P energy: -56.901
tors. eta vs tors. theta energy: -46.841
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: 9, replica: 6
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -730.484273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.484273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.484273 (E_RNA)
where:
Base-Base interactions energy: -390.667
where: short stacking energy: -198.682
Base-Backbone interact. energy: 1.324
local terms energy: -341.141612
where:
bonds (distance) C4'-P energy: -86.835
bonds (distance) P-C4' energy: -101.179
flat angles C4'-P-C4' energy: -91.292
flat angles P-C4'-P energy: -46.912
tors. eta vs tors. theta energy: -14.923
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: 2
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -645.789114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.789114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.789114 (E_RNA)
where:
Base-Base interactions energy: -310.539
where: short stacking energy: -159.371
Base-Backbone interact. energy: -0.721
local terms energy: -334.529132
where:
bonds (distance) C4'-P energy: -102.100
bonds (distance) P-C4' energy: -100.017
flat angles C4'-P-C4' energy: -81.913
flat angles P-C4'-P energy: -54.678
tors. eta vs tors. theta energy: 4.179
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: 1, replica: 4
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -2019.259451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.259451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.259451 (E_RNA)
where:
Base-Base interactions energy: -1382.903
where: short stacking energy: -562.254
Base-Backbone interact. energy: -4.386
local terms energy: -631.970106
where:
bonds (distance) C4'-P energy: -106.699
bonds (distance) P-C4' energy: -124.240
flat angles C4'-P-C4' energy: -136.671
flat angles P-C4'-P energy: -95.970
tors. eta vs tors. theta energy: -168.390
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: 9
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1949.565937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.565937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.565937 (E_RNA)
where:
Base-Base interactions energy: -1356.377
where: short stacking energy: -546.807
Base-Backbone interact. energy: -2.897
local terms energy: -590.291725
where:
bonds (distance) C4'-P energy: -111.962
bonds (distance) P-C4' energy: -109.686
flat angles C4'-P-C4' energy: -124.736
flat angles P-C4'-P energy: -86.707
tors. eta vs tors. theta energy: -157.201
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: 3, replica: 1
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1857.987245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.987245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.987245 (E_RNA)
where:
Base-Base interactions energy: -1234.865
where: short stacking energy: -555.933
Base-Backbone interact. energy: -0.237
local terms energy: -622.885040
where:
bonds (distance) C4'-P energy: -115.127
bonds (distance) P-C4' energy: -117.661
flat angles C4'-P-C4' energy: -122.732
flat angles P-C4'-P energy: -94.130
tors. eta vs tors. theta energy: -173.234
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: 7
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -1726.404792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.404792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.404792 (E_RNA)
where:
Base-Base interactions energy: -1164.911
where: short stacking energy: -508.272
Base-Backbone interact. energy: -3.165
local terms energy: -558.329075
where:
bonds (distance) C4'-P energy: -110.128
bonds (distance) P-C4' energy: -99.888
flat angles C4'-P-C4' energy: -119.704
flat angles P-C4'-P energy: -83.024
tors. eta vs tors. theta energy: -145.586
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: 168
Temperature: 1.100000
Total energy: -1643.833507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.833507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.833507 (E_RNA)
where:
Base-Base interactions energy: -1088.531
where: short stacking energy: -460.466
Base-Backbone interact. energy: -1.382
local terms energy: -553.920258
where:
bonds (distance) C4'-P energy: -108.221
bonds (distance) P-C4' energy: -114.901
flat angles C4'-P-C4' energy: -123.849
flat angles P-C4'-P energy: -85.016
tors. eta vs tors. theta energy: -121.933
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: 6, replica: 3
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1496.196546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.196546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.196546 (E_RNA)
where:
Base-Base interactions energy: -990.095
where: short stacking energy: -383.198
Base-Backbone interact. energy: 0.593
local terms energy: -506.695188
where:
bonds (distance) C4'-P energy: -112.923
bonds (distance) P-C4' energy: -97.681
flat angles C4'-P-C4' energy: -112.291
flat angles P-C4'-P energy: -71.004
tors. eta vs tors. theta energy: -112.796
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: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -1435.021406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.021406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.021406 (E_RNA)
where:
Base-Base interactions energy: -928.785
where: short stacking energy: -402.189
Base-Backbone interact. energy: -1.026
local terms energy: -505.210383
where:
bonds (distance) C4'-P energy: -91.006
bonds (distance) P-C4' energy: -122.104
flat angles C4'-P-C4' energy: -107.516
flat angles P-C4'-P energy: -60.764
tors. eta vs tors. theta energy: -123.822
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: 168
Temperature: 1.250000
Total energy: -942.921947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.921947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.921947 (E_RNA)
where:
Base-Base interactions energy: -561.781
where: short stacking energy: -259.999
Base-Backbone interact. energy: -2.561
local terms energy: -378.580454
where:
bonds (distance) C4'-P energy: -89.075
bonds (distance) P-C4' energy: -110.712
flat angles C4'-P-C4' energy: -86.373
flat angles P-C4'-P energy: -60.381
tors. eta vs tors. theta energy: -32.039
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: 168
Temperature: 1.300000
Total energy: -729.583709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.583709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.583709 (E_RNA)
where:
Base-Base interactions energy: -390.219
where: short stacking energy: -225.212
Base-Backbone interact. energy: 1.213
local terms energy: -340.577742
where:
bonds (distance) C4'-P energy: -83.545
bonds (distance) P-C4' energy: -79.224
flat angles C4'-P-C4' energy: -89.513
flat angles P-C4'-P energy: -59.229
tors. eta vs tors. theta energy: -29.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -628.373361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.373361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.373361 (E_RNA)
where:
Base-Base interactions energy: -310.280
where: short stacking energy: -140.268
Base-Backbone interact. energy: 8.646
local terms energy: -326.739809
where:
bonds (distance) C4'-P energy: -90.045
bonds (distance) P-C4' energy: -100.396
flat angles C4'-P-C4' energy: -94.266
flat angles P-C4'-P energy: -56.782
tors. eta vs tors. theta energy: 14.749
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: 1, replica: 4
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -2019.403584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.403584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.403584 (E_RNA)
where:
Base-Base interactions energy: -1405.426
where: short stacking energy: -582.353
Base-Backbone interact. energy: -0.900
local terms energy: -613.077748
where:
bonds (distance) C4'-P energy: -96.805
bonds (distance) P-C4' energy: -121.707
flat angles C4'-P-C4' energy: -131.021
flat angles P-C4'-P energy: -98.010
tors. eta vs tors. theta energy: -165.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1951.175865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.175865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.175865 (E_RNA)
where:
Base-Base interactions energy: -1344.714
where: short stacking energy: -558.642
Base-Backbone interact. energy: -4.218
local terms energy: -602.243473
where:
bonds (distance) C4'-P energy: -116.787
bonds (distance) P-C4' energy: -119.826
flat angles C4'-P-C4' energy: -128.540
flat angles P-C4'-P energy: -78.679
tors. eta vs tors. theta energy: -158.411
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: 1
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1863.609790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.609790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.609790 (E_RNA)
where:
Base-Base interactions energy: -1239.382
where: short stacking energy: -535.276
Base-Backbone interact. energy: -0.248
local terms energy: -623.980143
where:
bonds (distance) C4'-P energy: -108.089
bonds (distance) P-C4' energy: -127.164
flat angles C4'-P-C4' energy: -134.778
flat angles P-C4'-P energy: -88.345
tors. eta vs tors. theta energy: -165.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -1713.733239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.733239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.733239 (E_RNA)
where:
Base-Base interactions energy: -1143.903
where: short stacking energy: -468.415
Base-Backbone interact. energy: 0.423
local terms energy: -570.253293
where:
bonds (distance) C4'-P energy: -113.560
bonds (distance) P-C4' energy: -119.567
flat angles C4'-P-C4' energy: -135.158
flat angles P-C4'-P energy: -73.133
tors. eta vs tors. theta energy: -128.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -1619.390267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.390267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.390267 (E_RNA)
where:
Base-Base interactions energy: -1121.728
where: short stacking energy: -462.343
Base-Backbone interact. energy: -0.279
local terms energy: -497.383630
where:
bonds (distance) C4'-P energy: -91.379
bonds (distance) P-C4' energy: -113.216
flat angles C4'-P-C4' energy: -104.562
flat angles P-C4'-P energy: -77.702
tors. eta vs tors. theta energy: -110.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1468.561225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.561225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.561225 (E_RNA)
where:
Base-Base interactions energy: -993.763
where: short stacking energy: -421.206
Base-Backbone interact. energy: 1.079
local terms energy: -475.877130
where:
bonds (distance) C4'-P energy: -86.771
bonds (distance) P-C4' energy: -100.145
flat angles C4'-P-C4' energy: -113.996
flat angles P-C4'-P energy: -60.194
tors. eta vs tors. theta energy: -114.771
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: 7, replica: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1447.255244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.255244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.255244 (E_RNA)
where:
Base-Base interactions energy: -965.955
where: short stacking energy: -429.982
Base-Backbone interact. energy: 1.756
local terms energy: -483.055619
where:
bonds (distance) C4'-P energy: -104.784
bonds (distance) P-C4' energy: -91.834
flat angles C4'-P-C4' energy: -95.448
flat angles P-C4'-P energy: -80.357
tors. eta vs tors. theta energy: -110.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -936.673207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.673207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.673207 (E_RNA)
where:
Base-Base interactions energy: -565.033
where: short stacking energy: -271.323
Base-Backbone interact. energy: -1.837
local terms energy: -369.803366
where:
bonds (distance) C4'-P energy: -94.176
bonds (distance) P-C4' energy: -95.961
flat angles C4'-P-C4' energy: -94.570
flat angles P-C4'-P energy: -49.199
tors. eta vs tors. theta energy: -35.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -673.756069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.756069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.756069 (E_RNA)
where:
Base-Base interactions energy: -341.452
where: short stacking energy: -174.619
Base-Backbone interact. energy: -1.342
local terms energy: -330.961688
where:
bonds (distance) C4'-P energy: -100.413
bonds (distance) P-C4' energy: -103.835
flat angles C4'-P-C4' energy: -73.146
flat angles P-C4'-P energy: -50.279
tors. eta vs tors. theta energy: -3.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -627.177167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.177167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.177167 (E_RNA)
where:
Base-Base interactions energy: -296.819
where: short stacking energy: -173.667
Base-Backbone interact. energy: 0.086
local terms energy: -330.444114
where:
bonds (distance) C4'-P energy: -102.631
bonds (distance) P-C4' energy: -87.599
flat angles C4'-P-C4' energy: -89.932
flat angles P-C4'-P energy: -47.237
tors. eta vs tors. theta energy: -3.046
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: 9
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -2014.494475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.494475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.494475 (E_RNA)
where:
Base-Base interactions energy: -1387.107
where: short stacking energy: -593.961
Base-Backbone interact. energy: -2.435
local terms energy: -624.951670
where:
bonds (distance) C4'-P energy: -127.582
bonds (distance) P-C4' energy: -113.962
flat angles C4'-P-C4' energy: -135.599
flat angles P-C4'-P energy: -80.463
tors. eta vs tors. theta energy: -167.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1948.724748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.724748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.724748 (E_RNA)
where:
Base-Base interactions energy: -1373.381
where: short stacking energy: -550.857
Base-Backbone interact. energy: -1.316
local terms energy: -574.028255
where:
bonds (distance) C4'-P energy: -101.732
bonds (distance) P-C4' energy: -109.410
flat angles C4'-P-C4' energy: -115.547
flat angles P-C4'-P energy: -87.974
tors. eta vs tors. theta energy: -159.365
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: 170
Temperature: 1.000000
Total energy: -1802.553978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.553978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.553978 (E_RNA)
where:
Base-Base interactions energy: -1225.301
where: short stacking energy: -522.591
Base-Backbone interact. energy: -2.383
local terms energy: -574.870030
where:
bonds (distance) C4'-P energy: -107.743
bonds (distance) P-C4' energy: -100.369
flat angles C4'-P-C4' energy: -132.804
flat angles P-C4'-P energy: -75.781
tors. eta vs tors. theta energy: -158.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -1768.850583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.850583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.850583 (E_RNA)
where:
Base-Base interactions energy: -1194.322
where: short stacking energy: -504.134
Base-Backbone interact. energy: 1.666
local terms energy: -576.194949
where:
bonds (distance) C4'-P energy: -111.769
bonds (distance) P-C4' energy: -107.844
flat angles C4'-P-C4' energy: -121.055
flat angles P-C4'-P energy: -76.675
tors. eta vs tors. theta energy: -158.851
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: 8
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -1623.581418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.581418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.581418 (E_RNA)
where:
Base-Base interactions energy: -1096.201
where: short stacking energy: -461.872
Base-Backbone interact. energy: 1.487
local terms energy: -528.867763
where:
bonds (distance) C4'-P energy: -97.320
bonds (distance) P-C4' energy: -103.659
flat angles C4'-P-C4' energy: -115.004
flat angles P-C4'-P energy: -90.638
tors. eta vs tors. theta energy: -122.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -1486.038745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.038745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.038745 (E_RNA)
where:
Base-Base interactions energy: -987.824
where: short stacking energy: -453.188
Base-Backbone interact. energy: -2.344
local terms energy: -495.870631
where:
bonds (distance) C4'-P energy: -92.858
bonds (distance) P-C4' energy: -108.796
flat angles C4'-P-C4' energy: -107.274
flat angles P-C4'-P energy: -65.759
tors. eta vs tors. theta energy: -121.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1468.351708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.351708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.351708 (E_RNA)
where:
Base-Base interactions energy: -968.240
where: short stacking energy: -423.176
Base-Backbone interact. energy: -1.699
local terms energy: -498.413021
where:
bonds (distance) C4'-P energy: -111.891
bonds (distance) P-C4' energy: -101.209
flat angles C4'-P-C4' energy: -113.836
flat angles P-C4'-P energy: -52.198
tors. eta vs tors. theta energy: -119.280
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: 170
Temperature: 1.250000
Total energy: -997.455913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.455913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.455913 (E_RNA)
where:
Base-Base interactions energy: -581.769
where: short stacking energy: -272.699
Base-Backbone interact. energy: -0.049
local terms energy: -415.638427
where:
bonds (distance) C4'-P energy: -113.199
bonds (distance) P-C4' energy: -109.634
flat angles C4'-P-C4' energy: -93.464
flat angles P-C4'-P energy: -51.466
tors. eta vs tors. theta energy: -47.875
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: 6
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -674.952230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.952230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.952230 (E_RNA)
where:
Base-Base interactions energy: -356.646
where: short stacking energy: -213.760
Base-Backbone interact. energy: 2.708
local terms energy: -321.014346
where:
bonds (distance) C4'-P energy: -101.224
bonds (distance) P-C4' energy: -85.989
flat angles C4'-P-C4' energy: -85.072
flat angles P-C4'-P energy: -30.508
tors. eta vs tors. theta energy: -18.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -576.840102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.840102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.840102 (E_RNA)
where:
Base-Base interactions energy: -273.954
where: short stacking energy: -152.342
Base-Backbone interact. energy: -1.137
local terms energy: -301.749406
where:
bonds (distance) C4'-P energy: -87.138
bonds (distance) P-C4' energy: -83.635
flat angles C4'-P-C4' energy: -77.955
flat angles P-C4'-P energy: -47.131
tors. eta vs tors. theta energy: -5.891
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: 9
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -2020.341619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.341619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.341619 (E_RNA)
where:
Base-Base interactions energy: -1399.833
where: short stacking energy: -598.863
Base-Backbone interact. energy: 0.473
local terms energy: -620.981108
where:
bonds (distance) C4'-P energy: -114.318
bonds (distance) P-C4' energy: -109.195
flat angles C4'-P-C4' energy: -134.801
flat angles P-C4'-P energy: -95.610
tors. eta vs tors. theta energy: -167.058
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: 171
Temperature: 0.950000
Total energy: -1967.835308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.835308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.835308 (E_RNA)
where:
Base-Base interactions energy: -1362.586
where: short stacking energy: -557.306
Base-Backbone interact. energy: -1.511
local terms energy: -603.738172
where:
bonds (distance) C4'-P energy: -115.684
bonds (distance) P-C4' energy: -118.138
flat angles C4'-P-C4' energy: -126.397
flat angles P-C4'-P energy: -84.016
tors. eta vs tors. theta energy: -159.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -1802.415857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.415857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.415857 (E_RNA)
where:
Base-Base interactions energy: -1235.568
where: short stacking energy: -532.848
Base-Backbone interact. energy: 0.509
local terms energy: -567.356510
where:
bonds (distance) C4'-P energy: -106.317
bonds (distance) P-C4' energy: -111.124
flat angles C4'-P-C4' energy: -118.676
flat angles P-C4'-P energy: -83.923
tors. eta vs tors. theta energy: -147.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1764.898218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.898218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.898218 (E_RNA)
where:
Base-Base interactions energy: -1210.283
where: short stacking energy: -521.963
Base-Backbone interact. energy: -2.022
local terms energy: -552.593327
where:
bonds (distance) C4'-P energy: -103.240
bonds (distance) P-C4' energy: -102.305
flat angles C4'-P-C4' energy: -114.336
flat angles P-C4'-P energy: -74.791
tors. eta vs tors. theta energy: -157.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -1648.401954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.401954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.401954 (E_RNA)
where:
Base-Base interactions energy: -1111.593
where: short stacking energy: -468.284
Base-Backbone interact. energy: 0.027
local terms energy: -536.835970
where:
bonds (distance) C4'-P energy: -97.778
bonds (distance) P-C4' energy: -102.540
flat angles C4'-P-C4' energy: -128.580
flat angles P-C4'-P energy: -73.008
tors. eta vs tors. theta energy: -134.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -1500.348587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.348587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.348587 (E_RNA)
where:
Base-Base interactions energy: -977.837
where: short stacking energy: -422.017
Base-Backbone interact. energy: -1.824
local terms energy: -520.687424
where:
bonds (distance) C4'-P energy: -99.344
bonds (distance) P-C4' energy: -115.653
flat angles C4'-P-C4' energy: -111.355
flat angles P-C4'-P energy: -70.350
tors. eta vs tors. theta energy: -123.985
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: 10
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -1497.579767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.579767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.579767 (E_RNA)
where:
Base-Base interactions energy: -1010.719
where: short stacking energy: -450.197
Base-Backbone interact. energy: -1.426
local terms energy: -485.434288
where:
bonds (distance) C4'-P energy: -80.884
bonds (distance) P-C4' energy: -99.537
flat angles C4'-P-C4' energy: -118.206
flat angles P-C4'-P energy: -74.244
tors. eta vs tors. theta energy: -112.564
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: 5
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -1023.328508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.328508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.328508 (E_RNA)
where:
Base-Base interactions energy: -610.532
where: short stacking energy: -303.406
Base-Backbone interact. energy: -1.731
local terms energy: -411.065443
where:
bonds (distance) C4'-P energy: -97.383
bonds (distance) P-C4' energy: -102.364
flat angles C4'-P-C4' energy: -91.887
flat angles P-C4'-P energy: -65.828
tors. eta vs tors. theta energy: -53.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -648.421057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.421057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.421057 (E_RNA)
where:
Base-Base interactions energy: -302.247
where: short stacking energy: -164.122
Base-Backbone interact. energy: 1.618
local terms energy: -347.792781
where:
bonds (distance) C4'-P energy: -95.673
bonds (distance) P-C4' energy: -111.455
flat angles C4'-P-C4' energy: -93.371
flat angles P-C4'-P energy: -56.220
tors. eta vs tors. theta energy: 8.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -612.771645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.771645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.771645 (E_RNA)
where:
Base-Base interactions energy: -283.858
where: short stacking energy: -175.096
Base-Backbone interact. energy: -2.265
local terms energy: -326.648062
where:
bonds (distance) C4'-P energy: -90.044
bonds (distance) P-C4' energy: -101.500
flat angles C4'-P-C4' energy: -90.930
flat angles P-C4'-P energy: -52.538
tors. eta vs tors. theta energy: 8.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -2030.972105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.972105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.972105 (E_RNA)
where:
Base-Base interactions energy: -1413.061
where: short stacking energy: -559.205
Base-Backbone interact. energy: -0.810
local terms energy: -617.101129
where:
bonds (distance) C4'-P energy: -115.895
bonds (distance) P-C4' energy: -121.518
flat angles C4'-P-C4' energy: -133.430
flat angles P-C4'-P energy: -91.151
tors. eta vs tors. theta energy: -155.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1958.067449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.067449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.067449 (E_RNA)
where:
Base-Base interactions energy: -1318.840
where: short stacking energy: -563.825
Base-Backbone interact. energy: -1.766
local terms energy: -637.461058
where:
bonds (distance) C4'-P energy: -121.822
bonds (distance) P-C4' energy: -119.954
flat angles C4'-P-C4' energy: -135.324
flat angles P-C4'-P energy: -93.767
tors. eta vs tors. theta energy: -166.593
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: 7
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -1836.136863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.136863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.136863 (E_RNA)
where:
Base-Base interactions energy: -1249.031
where: short stacking energy: -540.893
Base-Backbone interact. energy: -1.742
local terms energy: -585.364317
where:
bonds (distance) C4'-P energy: -100.087
bonds (distance) P-C4' energy: -113.520
flat angles C4'-P-C4' energy: -127.455
flat angles P-C4'-P energy: -87.397
tors. eta vs tors. theta energy: -156.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1761.836133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.836133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.836133 (E_RNA)
where:
Base-Base interactions energy: -1178.443
where: short stacking energy: -513.554
Base-Backbone interact. energy: -0.965
local terms energy: -582.428325
where:
bonds (distance) C4'-P energy: -103.547
bonds (distance) P-C4' energy: -106.189
flat angles C4'-P-C4' energy: -117.211
flat angles P-C4'-P energy: -87.115
tors. eta vs tors. theta energy: -168.366
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: 172
Temperature: 1.100000
Total energy: -1656.641895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.641895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.641895 (E_RNA)
where:
Base-Base interactions energy: -1134.747
where: short stacking energy: -501.296
Base-Backbone interact. energy: -1.492
local terms energy: -520.402994
where:
bonds (distance) C4'-P energy: -91.987
bonds (distance) P-C4' energy: -109.868
flat angles C4'-P-C4' energy: -115.746
flat angles P-C4'-P energy: -68.358
tors. eta vs tors. theta energy: -134.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1516.738509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.738509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.738509 (E_RNA)
where:
Base-Base interactions energy: -1011.767
where: short stacking energy: -455.595
Base-Backbone interact. energy: 0.689
local terms energy: -505.660279
where:
bonds (distance) C4'-P energy: -91.871
bonds (distance) P-C4' energy: -106.023
flat angles C4'-P-C4' energy: -108.861
flat angles P-C4'-P energy: -77.186
tors. eta vs tors. theta energy: -121.719
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: 10
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -1396.477057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.477057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.477057 (E_RNA)
where:
Base-Base interactions energy: -923.439
where: short stacking energy: -380.525
Base-Backbone interact. energy: 4.711
local terms energy: -477.749665
where:
bonds (distance) C4'-P energy: -98.686
bonds (distance) P-C4' energy: -110.173
flat angles C4'-P-C4' energy: -95.429
flat angles P-C4'-P energy: -69.323
tors. eta vs tors. theta energy: -104.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -1040.873960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.873960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.873960 (E_RNA)
where:
Base-Base interactions energy: -621.826
where: short stacking energy: -293.495
Base-Backbone interact. energy: 2.750
local terms energy: -421.798604
where:
bonds (distance) C4'-P energy: -105.025
bonds (distance) P-C4' energy: -117.397
flat angles C4'-P-C4' energy: -97.711
flat angles P-C4'-P energy: -44.523
tors. eta vs tors. theta energy: -57.143
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: 2
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -661.468698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.468698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.468698 (E_RNA)
where:
Base-Base interactions energy: -314.525
where: short stacking energy: -198.859
Base-Backbone interact. energy: -2.398
local terms energy: -344.545538
where:
bonds (distance) C4'-P energy: -111.546
bonds (distance) P-C4' energy: -91.461
flat angles C4'-P-C4' energy: -77.407
flat angles P-C4'-P energy: -64.601
tors. eta vs tors. theta energy: 0.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -613.037538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.037538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.037538 (E_RNA)
where:
Base-Base interactions energy: -307.635
where: short stacking energy: -168.285
Base-Backbone interact. energy: 2.816
local terms energy: -308.219128
where:
bonds (distance) C4'-P energy: -67.809
bonds (distance) P-C4' energy: -115.873
flat angles C4'-P-C4' energy: -85.222
flat angles P-C4'-P energy: -51.102
tors. eta vs tors. theta energy: 11.787
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: 4
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -2017.223686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.223686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.223686 (E_RNA)
where:
Base-Base interactions energy: -1398.510
where: short stacking energy: -563.582
Base-Backbone interact. energy: -2.212
local terms energy: -616.501292
where:
bonds (distance) C4'-P energy: -111.546
bonds (distance) P-C4' energy: -123.378
flat angles C4'-P-C4' energy: -136.747
flat angles P-C4'-P energy: -93.426
tors. eta vs tors. theta energy: -151.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1971.647715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.647715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.647715 (E_RNA)
where:
Base-Base interactions energy: -1369.167
where: short stacking energy: -563.709
Base-Backbone interact. energy: -0.811
local terms energy: -601.670144
where:
bonds (distance) C4'-P energy: -110.444
bonds (distance) P-C4' energy: -110.323
flat angles C4'-P-C4' energy: -131.733
flat angles P-C4'-P energy: -83.281
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: 3, replica: 7
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -1843.572217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.572217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.572217 (E_RNA)
where:
Base-Base interactions energy: -1246.950
where: short stacking energy: -553.232
Base-Backbone interact. energy: -1.960
local terms energy: -594.662104
where:
bonds (distance) C4'-P energy: -106.756
bonds (distance) P-C4' energy: -114.415
flat angles C4'-P-C4' energy: -127.732
flat angles P-C4'-P energy: -81.781
tors. eta vs tors. theta energy: -163.978
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: 8
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -1720.277978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.277978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.277978 (E_RNA)
where:
Base-Base interactions energy: -1169.504
where: short stacking energy: -504.995
Base-Backbone interact. energy: -3.363
local terms energy: -547.410860
where:
bonds (distance) C4'-P energy: -126.629
bonds (distance) P-C4' energy: -90.170
flat angles C4'-P-C4' energy: -122.941
flat angles P-C4'-P energy: -77.927
tors. eta vs tors. theta energy: -129.745
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: 1
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -1703.498221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.498221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.498221 (E_RNA)
where:
Base-Base interactions energy: -1139.937
where: short stacking energy: -502.939
Base-Backbone interact. energy: -1.072
local terms energy: -562.488889
where:
bonds (distance) C4'-P energy: -101.303
bonds (distance) P-C4' energy: -105.148
flat angles C4'-P-C4' energy: -120.677
flat angles P-C4'-P energy: -78.187
tors. eta vs tors. theta energy: -157.174
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: 6, replica: 3
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -1407.839208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.839208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.839208 (E_RNA)
where:
Base-Base interactions energy: -923.154
where: short stacking energy: -419.565
Base-Backbone interact. energy: 4.157
local terms energy: -488.842927
where:
bonds (distance) C4'-P energy: -91.148
bonds (distance) P-C4' energy: -96.216
flat angles C4'-P-C4' energy: -114.415
flat angles P-C4'-P energy: -81.353
tors. eta vs tors. theta energy: -105.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -1431.919619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.919619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.919619 (E_RNA)
where:
Base-Base interactions energy: -963.338
where: short stacking energy: -421.719
Base-Backbone interact. energy: 1.326
local terms energy: -469.907099
where:
bonds (distance) C4'-P energy: -88.233
bonds (distance) P-C4' energy: -93.001
flat angles C4'-P-C4' energy: -120.451
flat angles P-C4'-P energy: -57.140
tors. eta vs tors. theta energy: -111.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -1049.928623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.928623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.928623 (E_RNA)
where:
Base-Base interactions energy: -656.737
where: short stacking energy: -284.276
Base-Backbone interact. energy: -0.587
local terms energy: -392.603940
where:
bonds (distance) C4'-P energy: -103.688
bonds (distance) P-C4' energy: -96.011
flat angles C4'-P-C4' energy: -89.476
flat angles P-C4'-P energy: -54.290
tors. eta vs tors. theta energy: -49.138
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: 9, replica: 2
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -683.777771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.777771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.777771 (E_RNA)
where:
Base-Base interactions energy: -342.764
where: short stacking energy: -208.545
Base-Backbone interact. energy: 10.451
local terms energy: -351.465429
where:
bonds (distance) C4'-P energy: -105.044
bonds (distance) P-C4' energy: -99.152
flat angles C4'-P-C4' energy: -79.935
flat angles P-C4'-P energy: -54.919
tors. eta vs tors. theta energy: -12.415
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: 6
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -614.124929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.124929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.124929 (E_RNA)
where:
Base-Base interactions energy: -277.693
where: short stacking energy: -151.078
Base-Backbone interact. energy: 5.038
local terms energy: -341.469314
where:
bonds (distance) C4'-P energy: -91.905
bonds (distance) P-C4' energy: -100.399
flat angles C4'-P-C4' energy: -90.291
flat angles P-C4'-P energy: -66.004
tors. eta vs tors. theta energy: 7.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -2034.981709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.981709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.981709 (E_RNA)
where:
Base-Base interactions energy: -1411.713
where: short stacking energy: -575.541
Base-Backbone interact. energy: -1.105
local terms energy: -622.163647
where:
bonds (distance) C4'-P energy: -119.757
bonds (distance) P-C4' energy: -122.256
flat angles C4'-P-C4' energy: -132.006
flat angles P-C4'-P energy: -94.821
tors. eta vs tors. theta energy: -153.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1942.746771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.746771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.746771 (E_RNA)
where:
Base-Base interactions energy: -1341.963
where: short stacking energy: -558.986
Base-Backbone interact. energy: -2.206
local terms energy: -598.577524
where:
bonds (distance) C4'-P energy: -113.164
bonds (distance) P-C4' energy: -111.662
flat angles C4'-P-C4' energy: -119.244
flat angles P-C4'-P energy: -88.893
tors. eta vs tors. theta energy: -165.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1794.014494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.014494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.014494 (E_RNA)
where:
Base-Base interactions energy: -1239.526
where: short stacking energy: -535.658
Base-Backbone interact. energy: -2.400
local terms energy: -552.088246
where:
bonds (distance) C4'-P energy: -100.387
bonds (distance) P-C4' energy: -101.352
flat angles C4'-P-C4' energy: -110.943
flat angles P-C4'-P energy: -85.072
tors. eta vs tors. theta energy: -154.334
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: 8
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1735.698661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.698661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.698661 (E_RNA)
where:
Base-Base interactions energy: -1188.076
where: short stacking energy: -528.532
Base-Backbone interact. energy: -1.159
local terms energy: -546.464025
where:
bonds (distance) C4'-P energy: -108.350
bonds (distance) P-C4' energy: -105.716
flat angles C4'-P-C4' energy: -117.913
flat angles P-C4'-P energy: -68.468
tors. eta vs tors. theta energy: -146.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1680.302334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.302334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.302334 (E_RNA)
where:
Base-Base interactions energy: -1116.670
where: short stacking energy: -491.309
Base-Backbone interact. energy: 1.414
local terms energy: -565.045990
where:
bonds (distance) C4'-P energy: -115.906
bonds (distance) P-C4' energy: -109.924
flat angles C4'-P-C4' energy: -121.951
flat angles P-C4'-P energy: -66.242
tors. eta vs tors. theta energy: -151.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -1418.234408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.234408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.234408 (E_RNA)
where:
Base-Base interactions energy: -937.915
where: short stacking energy: -387.142
Base-Backbone interact. energy: -1.035
local terms energy: -479.284139
where:
bonds (distance) C4'-P energy: -112.554
bonds (distance) P-C4' energy: -101.121
flat angles C4'-P-C4' energy: -93.973
flat angles P-C4'-P energy: -70.919
tors. eta vs tors. theta energy: -100.717
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: 7, replica: 10
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1381.788835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.788835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.788835 (E_RNA)
where:
Base-Base interactions energy: -915.502
where: short stacking energy: -391.275
Base-Backbone interact. energy: 0.644
local terms energy: -466.930161
where:
bonds (distance) C4'-P energy: -90.354
bonds (distance) P-C4' energy: -89.641
flat angles C4'-P-C4' energy: -116.108
flat angles P-C4'-P energy: -67.516
tors. eta vs tors. theta energy: -103.311
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: 8, replica: 5
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -1047.808329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.808329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.808329 (E_RNA)
where:
Base-Base interactions energy: -651.264
where: short stacking energy: -302.825
Base-Backbone interact. energy: -1.875
local terms energy: -394.668954
where:
bonds (distance) C4'-P energy: -99.919
bonds (distance) P-C4' energy: -88.487
flat angles C4'-P-C4' energy: -89.471
flat angles P-C4'-P energy: -52.812
tors. eta vs tors. theta energy: -63.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -670.748125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.748125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.748125 (E_RNA)
where:
Base-Base interactions energy: -329.437
where: short stacking energy: -187.988
Base-Backbone interact. energy: -1.966
local terms energy: -339.345254
where:
bonds (distance) C4'-P energy: -97.579
bonds (distance) P-C4' energy: -100.947
flat angles C4'-P-C4' energy: -81.677
flat angles P-C4'-P energy: -60.860
tors. eta vs tors. theta energy: 1.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -593.958902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.958902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.958902 (E_RNA)
where:
Base-Base interactions energy: -305.934
where: short stacking energy: -163.908
Base-Backbone interact. energy: 0.336
local terms energy: -288.360449
where:
bonds (distance) C4'-P energy: -85.363
bonds (distance) P-C4' energy: -114.357
flat angles C4'-P-C4' energy: -68.594
flat angles P-C4'-P energy: -34.926
tors. eta vs tors. theta energy: 14.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -2012.051159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.051159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.051159 (E_RNA)
where:
Base-Base interactions energy: -1389.822
where: short stacking energy: -562.629
Base-Backbone interact. energy: -4.492
local terms energy: -617.737730
where:
bonds (distance) C4'-P energy: -126.720
bonds (distance) P-C4' energy: -120.474
flat angles C4'-P-C4' energy: -131.068
flat angles P-C4'-P energy: -85.795
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: 2, replica: 9
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1950.874351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.874351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.874351 (E_RNA)
where:
Base-Base interactions energy: -1322.735
where: short stacking energy: -549.348
Base-Backbone interact. energy: -2.860
local terms energy: -625.279144
where:
bonds (distance) C4'-P energy: -123.685
bonds (distance) P-C4' energy: -116.565
flat angles C4'-P-C4' energy: -129.233
flat angles P-C4'-P energy: -84.915
tors. eta vs tors. theta energy: -170.880
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: 175
Temperature: 1.000000
Total energy: -1800.076247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.076247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.076247 (E_RNA)
where:
Base-Base interactions energy: -1226.272
where: short stacking energy: -500.411
Base-Backbone interact. energy: -3.703
local terms energy: -570.101204
where:
bonds (distance) C4'-P energy: -103.494
bonds (distance) P-C4' energy: -107.588
flat angles C4'-P-C4' energy: -116.470
flat angles P-C4'-P energy: -83.503
tors. eta vs tors. theta energy: -159.046
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: 8
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -1747.389662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.389662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.389662 (E_RNA)
where:
Base-Base interactions energy: -1199.024
where: short stacking energy: -497.153
Base-Backbone interact. energy: 0.550
local terms energy: -548.916414
where:
bonds (distance) C4'-P energy: -104.284
bonds (distance) P-C4' energy: -110.263
flat angles C4'-P-C4' energy: -119.568
flat angles P-C4'-P energy: -83.030
tors. eta vs tors. theta energy: -131.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -1700.115174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.115174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.115174 (E_RNA)
where:
Base-Base interactions energy: -1129.644
where: short stacking energy: -492.211
Base-Backbone interact. energy: -2.690
local terms energy: -567.780829
where:
bonds (distance) C4'-P energy: -102.082
bonds (distance) P-C4' energy: -108.389
flat angles C4'-P-C4' energy: -121.473
flat angles P-C4'-P energy: -81.509
tors. eta vs tors. theta energy: -154.328
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: 3
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1457.393253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.393253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.393253 (E_RNA)
where:
Base-Base interactions energy: -938.369
where: short stacking energy: -414.216
Base-Backbone interact. energy: -0.311
local terms energy: -518.713377
where:
bonds (distance) C4'-P energy: -106.220
bonds (distance) P-C4' energy: -112.560
flat angles C4'-P-C4' energy: -124.427
flat angles P-C4'-P energy: -66.338
tors. eta vs tors. theta energy: -109.168
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: 7, replica: 10
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1396.802287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.802287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.802287 (E_RNA)
where:
Base-Base interactions energy: -928.267
where: short stacking energy: -375.518
Base-Backbone interact. energy: 4.056
local terms energy: -472.591400
where:
bonds (distance) C4'-P energy: -105.873
bonds (distance) P-C4' energy: -101.037
flat angles C4'-P-C4' energy: -112.808
flat angles P-C4'-P energy: -71.227
tors. eta vs tors. theta energy: -81.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -951.173347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.173347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.173347 (E_RNA)
where:
Base-Base interactions energy: -587.777
where: short stacking energy: -265.908
Base-Backbone interact. energy: 1.139
local terms energy: -364.534815
where:
bonds (distance) C4'-P energy: -96.860
bonds (distance) P-C4' energy: -104.574
flat angles C4'-P-C4' energy: -92.239
flat angles P-C4'-P energy: -36.261
tors. eta vs tors. theta energy: -34.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -677.537063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.537063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.537063 (E_RNA)
where:
Base-Base interactions energy: -304.985
where: short stacking energy: -170.694
Base-Backbone interact. energy: -2.135
local terms energy: -370.417057
where:
bonds (distance) C4'-P energy: -94.053
bonds (distance) P-C4' energy: -106.775
flat angles C4'-P-C4' energy: -100.815
flat angles P-C4'-P energy: -57.622
tors. eta vs tors. theta energy: -11.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -614.925340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.925340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.925340 (E_RNA)
where:
Base-Base interactions energy: -288.816
where: short stacking energy: -154.205
Base-Backbone interact. energy: 2.334
local terms energy: -328.443568
where:
bonds (distance) C4'-P energy: -104.654
bonds (distance) P-C4' energy: -102.167
flat angles C4'-P-C4' energy: -74.706
flat angles P-C4'-P energy: -59.729
tors. eta vs tors. theta energy: 12.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -2029.276473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.276473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.276473 (E_RNA)
where:
Base-Base interactions energy: -1405.419
where: short stacking energy: -574.898
Base-Backbone interact. energy: -0.087
local terms energy: -623.770136
where:
bonds (distance) C4'-P energy: -120.718
bonds (distance) P-C4' energy: -108.721
flat angles C4'-P-C4' energy: -141.667
flat angles P-C4'-P energy: -87.609
tors. eta vs tors. theta energy: -165.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1937.224540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.224540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.224540 (E_RNA)
where:
Base-Base interactions energy: -1339.012
where: short stacking energy: -554.183
Base-Backbone interact. energy: -2.754
local terms energy: -595.457950
where:
bonds (distance) C4'-P energy: -115.539
bonds (distance) P-C4' energy: -108.690
flat angles C4'-P-C4' energy: -133.180
flat angles P-C4'-P energy: -86.640
tors. eta vs tors. theta energy: -151.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1861.617037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.617037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.617037 (E_RNA)
where:
Base-Base interactions energy: -1288.593
where: short stacking energy: -528.977
Base-Backbone interact. energy: 2.580
local terms energy: -575.604317
where:
bonds (distance) C4'-P energy: -103.574
bonds (distance) P-C4' energy: -130.269
flat angles C4'-P-C4' energy: -117.241
flat angles P-C4'-P energy: -66.113
tors. eta vs tors. theta energy: -158.407
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: 4, replica: 8
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -1748.065329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.065329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.065329 (E_RNA)
where:
Base-Base interactions energy: -1200.488
where: short stacking energy: -494.289
Base-Backbone interact. energy: 3.750
local terms energy: -551.327711
where:
bonds (distance) C4'-P energy: -98.113
bonds (distance) P-C4' energy: -105.662
flat angles C4'-P-C4' energy: -113.073
flat angles P-C4'-P energy: -83.760
tors. eta vs tors. theta energy: -150.720
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: 5, replica: 1
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -1675.143223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.143223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.143223 (E_RNA)
where:
Base-Base interactions energy: -1128.100
where: short stacking energy: -501.580
Base-Backbone interact. energy: 3.707
local terms energy: -550.750009
where:
bonds (distance) C4'-P energy: -109.117
bonds (distance) P-C4' energy: -111.233
flat angles C4'-P-C4' energy: -107.613
flat angles P-C4'-P energy: -70.226
tors. eta vs tors. theta energy: -152.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1452.892777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.892777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.892777 (E_RNA)
where:
Base-Base interactions energy: -949.512
where: short stacking energy: -420.486
Base-Backbone interact. energy: -2.177
local terms energy: -501.203127
where:
bonds (distance) C4'-P energy: -107.586
bonds (distance) P-C4' energy: -104.890
flat angles C4'-P-C4' energy: -107.298
flat angles P-C4'-P energy: -72.948
tors. eta vs tors. theta energy: -108.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1407.752284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.752284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.752284 (E_RNA)
where:
Base-Base interactions energy: -932.094
where: short stacking energy: -403.568
Base-Backbone interact. energy: -0.327
local terms energy: -475.331201
where:
bonds (distance) C4'-P energy: -84.234
bonds (distance) P-C4' energy: -110.946
flat angles C4'-P-C4' energy: -105.500
flat angles P-C4'-P energy: -61.705
tors. eta vs tors. theta energy: -112.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -1031.402459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.402459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.402459 (E_RNA)
where:
Base-Base interactions energy: -614.443
where: short stacking energy: -294.429
Base-Backbone interact. energy: -1.685
local terms energy: -415.274005
where:
bonds (distance) C4'-P energy: -74.864
bonds (distance) P-C4' energy: -103.785
flat angles C4'-P-C4' energy: -108.407
flat angles P-C4'-P energy: -73.023
tors. eta vs tors. theta energy: -55.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -650.329018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.329018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.329018 (E_RNA)
where:
Base-Base interactions energy: -318.141
where: short stacking energy: -162.256
Base-Backbone interact. energy: 0.248
local terms energy: -332.435997
where:
bonds (distance) C4'-P energy: -109.019
bonds (distance) P-C4' energy: -97.411
flat angles C4'-P-C4' energy: -92.523
flat angles P-C4'-P energy: -40.406
tors. eta vs tors. theta energy: 6.924
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: 10, replica: 6
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -562.091792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.091792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.091792 (E_RNA)
where:
Base-Base interactions energy: -236.966
where: short stacking energy: -155.481
Base-Backbone interact. energy: -1.259
local terms energy: -323.867082
where:
bonds (distance) C4'-P energy: -105.200
bonds (distance) P-C4' energy: -99.794
flat angles C4'-P-C4' energy: -86.079
flat angles P-C4'-P energy: -40.092
tors. eta vs tors. theta energy: 7.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -2023.995883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.995883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.995883 (E_RNA)
where:
Base-Base interactions energy: -1389.941
where: short stacking energy: -567.309
Base-Backbone interact. energy: -2.714
local terms energy: -631.339985
where:
bonds (distance) C4'-P energy: -114.756
bonds (distance) P-C4' energy: -121.560
flat angles C4'-P-C4' energy: -134.442
flat angles P-C4'-P energy: -97.643
tors. eta vs tors. theta energy: -162.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1944.563654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.563654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.563654 (E_RNA)
where:
Base-Base interactions energy: -1376.210
where: short stacking energy: -537.973
Base-Backbone interact. energy: -1.682
local terms energy: -566.671602
where:
bonds (distance) C4'-P energy: -95.103
bonds (distance) P-C4' energy: -106.724
flat angles C4'-P-C4' energy: -122.661
flat angles P-C4'-P energy: -84.414
tors. eta vs tors. theta energy: -157.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1859.338171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.338171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.338171 (E_RNA)
where:
Base-Base interactions energy: -1275.307
where: short stacking energy: -559.035
Base-Backbone interact. energy: -1.083
local terms energy: -582.949011
where:
bonds (distance) C4'-P energy: -104.727
bonds (distance) P-C4' energy: -115.255
flat angles C4'-P-C4' energy: -121.704
flat angles P-C4'-P energy: -80.288
tors. eta vs tors. theta energy: -160.975
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: 177
Temperature: 1.050000
Total energy: -1834.364072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.364072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.364072 (E_RNA)
where:
Base-Base interactions energy: -1238.568
where: short stacking energy: -519.398
Base-Backbone interact. energy: -2.222
local terms energy: -593.574891
where:
bonds (distance) C4'-P energy: -103.253
bonds (distance) P-C4' energy: -124.377
flat angles C4'-P-C4' energy: -126.981
flat angles P-C4'-P energy: -83.200
tors. eta vs tors. theta energy: -155.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1654.929734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.929734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.929734 (E_RNA)
where:
Base-Base interactions energy: -1103.027
where: short stacking energy: -464.635
Base-Backbone interact. energy: 0.425
local terms energy: -552.327693
where:
bonds (distance) C4'-P energy: -108.778
bonds (distance) P-C4' energy: -113.930
flat angles C4'-P-C4' energy: -119.389
flat angles P-C4'-P energy: -67.418
tors. eta vs tors. theta energy: -142.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1512.252611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.252611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.252611 (E_RNA)
where:
Base-Base interactions energy: -1007.370
where: short stacking energy: -430.918
Base-Backbone interact. energy: -3.055
local terms energy: -501.827256
where:
bonds (distance) C4'-P energy: -99.511
bonds (distance) P-C4' energy: -103.434
flat angles C4'-P-C4' energy: -110.131
flat angles P-C4'-P energy: -77.257
tors. eta vs tors. theta energy: -111.495
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: 7, replica: 3
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1444.749674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.749674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.749674 (E_RNA)
where:
Base-Base interactions energy: -966.003
where: short stacking energy: -412.302
Base-Backbone interact. energy: 0.163
local terms energy: -478.909601
where:
bonds (distance) C4'-P energy: -97.486
bonds (distance) P-C4' energy: -93.102
flat angles C4'-P-C4' energy: -117.968
flat angles P-C4'-P energy: -60.206
tors. eta vs tors. theta energy: -110.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -1024.699555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.699555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.699555 (E_RNA)
where:
Base-Base interactions energy: -603.622
where: short stacking energy: -300.649
Base-Backbone interact. energy: -1.495
local terms energy: -419.582786
where:
bonds (distance) C4'-P energy: -101.577
bonds (distance) P-C4' energy: -91.965
flat angles C4'-P-C4' energy: -93.972
flat angles P-C4'-P energy: -77.969
tors. eta vs tors. theta energy: -54.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -637.140983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.140983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.140983 (E_RNA)
where:
Base-Base interactions energy: -288.715
where: short stacking energy: -159.398
Base-Backbone interact. energy: 0.564
local terms energy: -348.990358
where:
bonds (distance) C4'-P energy: -94.869
bonds (distance) P-C4' energy: -116.580
flat angles C4'-P-C4' energy: -100.692
flat angles P-C4'-P energy: -28.326
tors. eta vs tors. theta energy: -8.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -590.941551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.941551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.941551 (E_RNA)
where:
Base-Base interactions energy: -249.424
where: short stacking energy: -157.888
Base-Backbone interact. energy: 4.469
local terms energy: -345.985818
where:
bonds (distance) C4'-P energy: -103.555
bonds (distance) P-C4' energy: -101.867
flat angles C4'-P-C4' energy: -92.096
flat angles P-C4'-P energy: -47.388
tors. eta vs tors. theta energy: -1.081
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: 178
Temperature: 0.900000
Total energy: -2025.440762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.440762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.440762 (E_RNA)
where:
Base-Base interactions energy: -1417.598
where: short stacking energy: -566.265
Base-Backbone interact. energy: -4.762
local terms energy: -603.080617
where:
bonds (distance) C4'-P energy: -124.354
bonds (distance) P-C4' energy: -111.906
flat angles C4'-P-C4' energy: -133.203
flat angles P-C4'-P energy: -73.117
tors. eta vs tors. theta energy: -160.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1969.405982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.405982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.405982 (E_RNA)
where:
Base-Base interactions energy: -1358.130
where: short stacking energy: -533.591
Base-Backbone interact. energy: -4.774
local terms energy: -606.502543
where:
bonds (distance) C4'-P energy: -115.046
bonds (distance) P-C4' energy: -114.078
flat angles C4'-P-C4' energy: -123.502
flat angles P-C4'-P energy: -92.657
tors. eta vs tors. theta energy: -161.221
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: 8
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -1865.237173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.237173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.237173 (E_RNA)
where:
Base-Base interactions energy: -1287.290
where: short stacking energy: -547.699
Base-Backbone interact. energy: -0.060
local terms energy: -577.886992
where:
bonds (distance) C4'-P energy: -106.418
bonds (distance) P-C4' energy: -103.509
flat angles C4'-P-C4' energy: -116.684
flat angles P-C4'-P energy: -94.420
tors. eta vs tors. theta energy: -156.855
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: 7
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -1751.714792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.714792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.714792 (E_RNA)
where:
Base-Base interactions energy: -1182.762
where: short stacking energy: -497.528
Base-Backbone interact. energy: 1.110
local terms energy: -570.063269
where:
bonds (distance) C4'-P energy: -100.697
bonds (distance) P-C4' energy: -114.747
flat angles C4'-P-C4' energy: -115.564
flat angles P-C4'-P energy: -88.285
tors. eta vs tors. theta energy: -150.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -1638.708553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.708553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.708553 (E_RNA)
where:
Base-Base interactions energy: -1099.961
where: short stacking energy: -481.647
Base-Backbone interact. energy: 0.961
local terms energy: -539.709154
where:
bonds (distance) C4'-P energy: -93.101
bonds (distance) P-C4' energy: -114.035
flat angles C4'-P-C4' energy: -119.659
flat angles P-C4'-P energy: -69.855
tors. eta vs tors. theta energy: -143.060
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: 10
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1522.921606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.921606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.921606 (E_RNA)
where:
Base-Base interactions energy: -1008.329
where: short stacking energy: -439.704
Base-Backbone interact. energy: -2.501
local terms energy: -512.092460
where:
bonds (distance) C4'-P energy: -102.229
bonds (distance) P-C4' energy: -109.452
flat angles C4'-P-C4' energy: -113.779
flat angles P-C4'-P energy: -79.503
tors. eta vs tors. theta energy: -107.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -1389.634548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.634548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.634548 (E_RNA)
where:
Base-Base interactions energy: -912.062
where: short stacking energy: -374.615
Base-Backbone interact. energy: 4.882
local terms energy: -482.453883
where:
bonds (distance) C4'-P energy: -107.451
bonds (distance) P-C4' energy: -99.287
flat angles C4'-P-C4' energy: -111.925
flat angles P-C4'-P energy: -66.319
tors. eta vs tors. theta energy: -97.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -1016.212211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.212211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.212211 (E_RNA)
where:
Base-Base interactions energy: -615.448
where: short stacking energy: -287.077
Base-Backbone interact. energy: -1.757
local terms energy: -399.007764
where:
bonds (distance) C4'-P energy: -99.149
bonds (distance) P-C4' energy: -104.317
flat angles C4'-P-C4' energy: -85.407
flat angles P-C4'-P energy: -66.835
tors. eta vs tors. theta energy: -43.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -684.225453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.225453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.225453 (E_RNA)
where:
Base-Base interactions energy: -341.896
where: short stacking energy: -196.663
Base-Backbone interact. energy: -0.637
local terms energy: -341.691827
where:
bonds (distance) C4'-P energy: -104.381
bonds (distance) P-C4' energy: -108.395
flat angles C4'-P-C4' energy: -68.538
flat angles P-C4'-P energy: -34.740
tors. eta vs tors. theta energy: -25.638
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: 10, replica: 6
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -585.095524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.095524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.095524 (E_RNA)
where:
Base-Base interactions energy: -274.593
where: short stacking energy: -156.647
Base-Backbone interact. energy: -0.023
local terms energy: -310.479619
where:
bonds (distance) C4'-P energy: -87.897
bonds (distance) P-C4' energy: -109.211
flat angles C4'-P-C4' energy: -80.487
flat angles P-C4'-P energy: -38.254
tors. eta vs tors. theta energy: 5.369
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: 4
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -2034.064665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.064665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.064665 (E_RNA)
where:
Base-Base interactions energy: -1412.186
where: short stacking energy: -566.680
Base-Backbone interact. energy: -2.542
local terms energy: -619.336898
where:
bonds (distance) C4'-P energy: -116.418
bonds (distance) P-C4' energy: -119.567
flat angles C4'-P-C4' energy: -126.822
flat angles P-C4'-P energy: -93.237
tors. eta vs tors. theta energy: -163.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1967.685406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.685406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.685406 (E_RNA)
where:
Base-Base interactions energy: -1350.387
where: short stacking energy: -552.286
Base-Backbone interact. energy: -2.930
local terms energy: -614.368218
where:
bonds (distance) C4'-P energy: -110.530
bonds (distance) P-C4' energy: -126.210
flat angles C4'-P-C4' energy: -125.751
flat angles P-C4'-P energy: -93.047
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: 3, replica: 8
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1899.619630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.619630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.619630 (E_RNA)
where:
Base-Base interactions energy: -1299.404
where: short stacking energy: -568.503
Base-Backbone interact. energy: 0.194
local terms energy: -600.409541
where:
bonds (distance) C4'-P energy: -107.938
bonds (distance) P-C4' energy: -108.022
flat angles C4'-P-C4' energy: -123.195
flat angles P-C4'-P energy: -93.094
tors. eta vs tors. theta energy: -168.161
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: 7
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -1725.290358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.290358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.290358 (E_RNA)
where:
Base-Base interactions energy: -1179.112
where: short stacking energy: -500.300
Base-Backbone interact. energy: -2.002
local terms energy: -544.176303
where:
bonds (distance) C4'-P energy: -100.617
bonds (distance) P-C4' energy: -100.174
flat angles C4'-P-C4' energy: -110.722
flat angles P-C4'-P energy: -93.013
tors. eta vs tors. theta energy: -139.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -1658.916465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.916465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.916465 (E_RNA)
where:
Base-Base interactions energy: -1087.965
where: short stacking energy: -481.779
Base-Backbone interact. energy: -1.000
local terms energy: -569.951762
where:
bonds (distance) C4'-P energy: -98.194
bonds (distance) P-C4' energy: -109.862
flat angles C4'-P-C4' energy: -122.815
flat angles P-C4'-P energy: -85.205
tors. eta vs tors. theta energy: -153.875
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: 10
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1527.746686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.746686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.746686 (E_RNA)
where:
Base-Base interactions energy: -1013.453
where: short stacking energy: -427.422
Base-Backbone interact. energy: -3.072
local terms energy: -511.221912
where:
bonds (distance) C4'-P energy: -106.938
bonds (distance) P-C4' energy: -115.196
flat angles C4'-P-C4' energy: -109.486
flat angles P-C4'-P energy: -66.964
tors. eta vs tors. theta energy: -112.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1368.490739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.490739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.490739 (E_RNA)
where:
Base-Base interactions energy: -877.291
where: short stacking energy: -384.408
Base-Backbone interact. energy: 1.498
local terms energy: -492.697798
where:
bonds (distance) C4'-P energy: -109.022
bonds (distance) P-C4' energy: -113.826
flat angles C4'-P-C4' energy: -104.647
flat angles P-C4'-P energy: -69.831
tors. eta vs tors. theta energy: -95.372
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: 5
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -1046.829276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.829276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.829276 (E_RNA)
where:
Base-Base interactions energy: -616.716
where: short stacking energy: -282.207
Base-Backbone interact. energy: -0.246
local terms energy: -429.867798
where:
bonds (distance) C4'-P energy: -115.742
bonds (distance) P-C4' energy: -103.638
flat angles C4'-P-C4' energy: -85.323
flat angles P-C4'-P energy: -67.447
tors. eta vs tors. theta energy: -57.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -638.615152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.615152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.615152 (E_RNA)
where:
Base-Base interactions energy: -302.306
where: short stacking energy: -168.843
Base-Backbone interact. energy: 1.585
local terms energy: -337.894539
where:
bonds (distance) C4'-P energy: -94.926
bonds (distance) P-C4' energy: -110.475
flat angles C4'-P-C4' energy: -88.955
flat angles P-C4'-P energy: -43.985
tors. eta vs tors. theta energy: 0.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -561.324455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.324455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.324455 (E_RNA)
where:
Base-Base interactions energy: -231.047
where: short stacking energy: -152.043
Base-Backbone interact. energy: -3.173
local terms energy: -327.104810
where:
bonds (distance) C4'-P energy: -102.442
bonds (distance) P-C4' energy: -86.540
flat angles C4'-P-C4' energy: -87.412
flat angles P-C4'-P energy: -52.334
tors. eta vs tors. theta energy: 1.624
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: 1, replica: 9
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -2030.399168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.399168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.399168 (E_RNA)
where:
Base-Base interactions energy: -1395.890
where: short stacking energy: -574.426
Base-Backbone interact. energy: -2.034
local terms energy: -632.474544
where:
bonds (distance) C4'-P energy: -123.439
bonds (distance) P-C4' energy: -113.699
flat angles C4'-P-C4' energy: -135.444
flat angles P-C4'-P energy: -98.154
tors. eta vs tors. theta energy: -161.738
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: 180
Temperature: 0.950000
Total energy: -1987.709014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.709014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.709014 (E_RNA)
where:
Base-Base interactions energy: -1387.139
where: short stacking energy: -561.217
Base-Backbone interact. energy: -2.507
local terms energy: -598.063445
where:
bonds (distance) C4'-P energy: -113.205
bonds (distance) P-C4' energy: -107.358
flat angles C4'-P-C4' energy: -128.927
flat angles P-C4'-P energy: -95.137
tors. eta vs tors. theta energy: -153.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1853.265317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.265317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.265317 (E_RNA)
where:
Base-Base interactions energy: -1257.119
where: short stacking energy: -557.056
Base-Backbone interact. energy: -0.430
local terms energy: -595.716222
where:
bonds (distance) C4'-P energy: -101.383
bonds (distance) P-C4' energy: -113.138
flat angles C4'-P-C4' energy: -121.932
flat angles P-C4'-P energy: -94.271
tors. eta vs tors. theta energy: -164.993
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: 7
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1745.188389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.188389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.188389 (E_RNA)
where:
Base-Base interactions energy: -1193.452
where: short stacking energy: -508.053
Base-Backbone interact. energy: -3.324
local terms energy: -548.412301
where:
bonds (distance) C4'-P energy: -97.454
bonds (distance) P-C4' energy: -112.053
flat angles C4'-P-C4' energy: -109.474
flat angles P-C4'-P energy: -81.150
tors. eta vs tors. theta energy: -148.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -1623.389852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.389852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.389852 (E_RNA)
where:
Base-Base interactions energy: -1085.463
where: short stacking energy: -457.471
Base-Backbone interact. energy: 0.101
local terms energy: -538.028084
where:
bonds (distance) C4'-P energy: -106.193
bonds (distance) P-C4' energy: -99.336
flat angles C4'-P-C4' energy: -112.876
flat angles P-C4'-P energy: -81.926
tors. eta vs tors. theta energy: -137.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -1485.760585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.760585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.760585 (E_RNA)
where:
Base-Base interactions energy: -977.063
where: short stacking energy: -435.484
Base-Backbone interact. energy: -1.497
local terms energy: -507.200456
where:
bonds (distance) C4'-P energy: -111.416
bonds (distance) P-C4' energy: -102.230
flat angles C4'-P-C4' energy: -104.527
flat angles P-C4'-P energy: -77.437
tors. eta vs tors. theta energy: -111.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1389.300686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.300686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.300686 (E_RNA)
where:
Base-Base interactions energy: -905.896
where: short stacking energy: -401.557
Base-Backbone interact. energy: -0.632
local terms energy: -482.773121
where:
bonds (distance) C4'-P energy: -86.068
bonds (distance) P-C4' energy: -121.322
flat angles C4'-P-C4' energy: -107.789
flat angles P-C4'-P energy: -67.840
tors. eta vs tors. theta energy: -99.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -983.833188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.833188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.833188 (E_RNA)
where:
Base-Base interactions energy: -610.085
where: short stacking energy: -280.070
Base-Backbone interact. energy: -1.547
local terms energy: -372.201170
where:
bonds (distance) C4'-P energy: -93.826
bonds (distance) P-C4' energy: -88.295
flat angles C4'-P-C4' energy: -89.191
flat angles P-C4'-P energy: -54.321
tors. eta vs tors. theta energy: -46.568
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: 9, replica: 2
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -643.905026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.905026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.905026 (E_RNA)
where:
Base-Base interactions energy: -316.568
where: short stacking energy: -176.423
Base-Backbone interact. energy: -2.565
local terms energy: -324.771267
where:
bonds (distance) C4'-P energy: -84.272
bonds (distance) P-C4' energy: -105.057
flat angles C4'-P-C4' energy: -88.255
flat angles P-C4'-P energy: -42.310
tors. eta vs tors. theta energy: -4.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -600.204436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.204436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.204436 (E_RNA)
where:
Base-Base interactions energy: -296.651
where: short stacking energy: -191.657
Base-Backbone interact. energy: 0.432
local terms energy: -303.985147
where:
bonds (distance) C4'-P energy: -78.091
bonds (distance) P-C4' energy: -99.233
flat angles C4'-P-C4' energy: -79.389
flat angles P-C4'-P energy: -47.821
tors. eta vs tors. theta energy: 0.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -2036.987584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.987584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.987584 (E_RNA)
where:
Base-Base interactions energy: -1425.173
where: short stacking energy: -570.244
Base-Backbone interact. energy: -2.042
local terms energy: -609.772828
where:
bonds (distance) C4'-P energy: -102.981
bonds (distance) P-C4' energy: -124.615
flat angles C4'-P-C4' energy: -130.080
flat angles P-C4'-P energy: -88.615
tors. eta vs tors. theta energy: -163.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1990.248344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.248344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.248344 (E_RNA)
where:
Base-Base interactions energy: -1389.604
where: short stacking energy: -569.028
Base-Backbone interact. energy: -4.092
local terms energy: -596.552927
where:
bonds (distance) C4'-P energy: -109.597
bonds (distance) P-C4' energy: -117.919
flat angles C4'-P-C4' energy: -118.210
flat angles P-C4'-P energy: -94.943
tors. eta vs tors. theta energy: -155.884
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: 3, replica: 8
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1897.050251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.050251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.050251 (E_RNA)
where:
Base-Base interactions energy: -1292.454
where: short stacking energy: -562.482
Base-Backbone interact. energy: -1.539
local terms energy: -603.056880
where:
bonds (distance) C4'-P energy: -107.755
bonds (distance) P-C4' energy: -107.506
flat angles C4'-P-C4' energy: -123.679
flat angles P-C4'-P energy: -88.547
tors. eta vs tors. theta energy: -175.570
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: 4, replica: 7
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -1771.060929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.060929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.060929 (E_RNA)
where:
Base-Base interactions energy: -1200.784
where: short stacking energy: -502.737
Base-Backbone interact. energy: 0.453
local terms energy: -570.730037
where:
bonds (distance) C4'-P energy: -111.814
bonds (distance) P-C4' energy: -107.559
flat angles C4'-P-C4' energy: -124.971
flat angles P-C4'-P energy: -73.952
tors. eta vs tors. theta energy: -152.434
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: 1
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1627.741319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.741319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.741319 (E_RNA)
where:
Base-Base interactions energy: -1062.197
where: short stacking energy: -457.921
Base-Backbone interact. energy: 2.358
local terms energy: -567.902375
where:
bonds (distance) C4'-P energy: -119.842
bonds (distance) P-C4' energy: -102.315
flat angles C4'-P-C4' energy: -124.926
flat angles P-C4'-P energy: -81.274
tors. eta vs tors. theta energy: -139.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1544.601216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.601216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.601216 (E_RNA)
where:
Base-Base interactions energy: -1021.468
where: short stacking energy: -448.206
Base-Backbone interact. energy: -3.074
local terms energy: -520.059201
where:
bonds (distance) C4'-P energy: -103.681
bonds (distance) P-C4' energy: -107.991
flat angles C4'-P-C4' energy: -117.049
flat angles P-C4'-P energy: -69.180
tors. eta vs tors. theta energy: -122.159
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: 3
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -1368.887590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.887590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.887590 (E_RNA)
where:
Base-Base interactions energy: -887.471
where: short stacking energy: -381.332
Base-Backbone interact. energy: -0.841
local terms energy: -480.575547
where:
bonds (distance) C4'-P energy: -106.947
bonds (distance) P-C4' energy: -106.956
flat angles C4'-P-C4' energy: -96.712
flat angles P-C4'-P energy: -71.961
tors. eta vs tors. theta energy: -98.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -998.562925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.562925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.562925 (E_RNA)
where:
Base-Base interactions energy: -602.058
where: short stacking energy: -275.124
Base-Backbone interact. energy: -3.094
local terms energy: -393.411296
where:
bonds (distance) C4'-P energy: -108.563
bonds (distance) P-C4' energy: -94.146
flat angles C4'-P-C4' energy: -94.591
flat angles P-C4'-P energy: -58.239
tors. eta vs tors. theta energy: -37.872
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: 9, replica: 2
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -649.097807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.097807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.097807 (E_RNA)
where:
Base-Base interactions energy: -309.059
where: short stacking energy: -211.436
Base-Backbone interact. energy: -0.269
local terms energy: -339.769768
where:
bonds (distance) C4'-P energy: -75.244
bonds (distance) P-C4' energy: -101.533
flat angles C4'-P-C4' energy: -100.073
flat angles P-C4'-P energy: -39.782
tors. eta vs tors. theta energy: -23.138
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: 181
Temperature: 1.350000
Total energy: -594.471395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.471395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.471395 (E_RNA)
where:
Base-Base interactions energy: -254.844
where: short stacking energy: -143.090
Base-Backbone interact. energy: -2.906
local terms energy: -336.721343
where:
bonds (distance) C4'-P energy: -91.810
bonds (distance) P-C4' energy: -93.062
flat angles C4'-P-C4' energy: -97.712
flat angles P-C4'-P energy: -60.959
tors. eta vs tors. theta energy: 6.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -2003.935196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.935196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.935196 (E_RNA)
where:
Base-Base interactions energy: -1372.654
where: short stacking energy: -583.409
Base-Backbone interact. energy: -2.243
local terms energy: -629.037869
where:
bonds (distance) C4'-P energy: -125.342
bonds (distance) P-C4' energy: -113.465
flat angles C4'-P-C4' energy: -131.257
flat angles P-C4'-P energy: -96.193
tors. eta vs tors. theta energy: -162.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1990.986623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.986623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.986623 (E_RNA)
where:
Base-Base interactions energy: -1373.605
where: short stacking energy: -567.533
Base-Backbone interact. energy: 0.928
local terms energy: -618.309097
where:
bonds (distance) C4'-P energy: -120.835
bonds (distance) P-C4' energy: -113.592
flat angles C4'-P-C4' energy: -130.024
flat angles P-C4'-P energy: -88.135
tors. eta vs tors. theta energy: -165.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1876.713680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.713680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.713680 (E_RNA)
where:
Base-Base interactions energy: -1258.941
where: short stacking energy: -552.975
Base-Backbone interact. energy: -0.105
local terms energy: -617.667692
where:
bonds (distance) C4'-P energy: -115.019
bonds (distance) P-C4' energy: -109.848
flat angles C4'-P-C4' energy: -141.829
flat angles P-C4'-P energy: -90.424
tors. eta vs tors. theta energy: -160.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -1773.001626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.001626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.001626 (E_RNA)
where:
Base-Base interactions energy: -1200.454
where: short stacking energy: -538.858
Base-Backbone interact. energy: -1.809
local terms energy: -570.738954
where:
bonds (distance) C4'-P energy: -107.691
bonds (distance) P-C4' energy: -107.551
flat angles C4'-P-C4' energy: -118.919
flat angles P-C4'-P energy: -81.375
tors. eta vs tors. theta energy: -155.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -1702.833008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.833008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.833008 (E_RNA)
where:
Base-Base interactions energy: -1123.323
where: short stacking energy: -515.615
Base-Backbone interact. energy: -2.586
local terms energy: -576.924306
where:
bonds (distance) C4'-P energy: -97.751
bonds (distance) P-C4' energy: -124.790
flat angles C4'-P-C4' energy: -132.684
flat angles P-C4'-P energy: -76.716
tors. eta vs tors. theta energy: -144.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1539.763304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.763304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.763304 (E_RNA)
where:
Base-Base interactions energy: -1004.513
where: short stacking energy: -440.237
Base-Backbone interact. energy: -2.628
local terms energy: -532.622319
where:
bonds (distance) C4'-P energy: -117.621
bonds (distance) P-C4' energy: -100.650
flat angles C4'-P-C4' energy: -125.572
flat angles P-C4'-P energy: -69.632
tors. eta vs tors. theta energy: -119.148
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: 3
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1389.862596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.862596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.862596 (E_RNA)
where:
Base-Base interactions energy: -920.457
where: short stacking energy: -405.025
Base-Backbone interact. energy: -2.483
local terms energy: -466.923077
where:
bonds (distance) C4'-P energy: -92.268
bonds (distance) P-C4' energy: -107.252
flat angles C4'-P-C4' energy: -99.583
flat angles P-C4'-P energy: -61.574
tors. eta vs tors. theta energy: -106.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -1004.730932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.730932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.730932 (E_RNA)
where:
Base-Base interactions energy: -594.282
where: short stacking energy: -276.963
Base-Backbone interact. energy: 0.311
local terms energy: -410.759567
where:
bonds (distance) C4'-P energy: -97.693
bonds (distance) P-C4' energy: -92.060
flat angles C4'-P-C4' energy: -90.335
flat angles P-C4'-P energy: -80.563
tors. eta vs tors. theta energy: -50.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -644.163295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.163295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.163295 (E_RNA)
where:
Base-Base interactions energy: -315.063
where: short stacking energy: -192.966
Base-Backbone interact. energy: -1.530
local terms energy: -327.570190
where:
bonds (distance) C4'-P energy: -89.507
bonds (distance) P-C4' energy: -99.392
flat angles C4'-P-C4' energy: -80.738
flat angles P-C4'-P energy: -43.196
tors. eta vs tors. theta energy: -14.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -571.646079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.646079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.646079 (E_RNA)
where:
Base-Base interactions energy: -257.368
where: short stacking energy: -155.499
Base-Backbone interact. energy: -2.169
local terms energy: -312.109142
where:
bonds (distance) C4'-P energy: -99.859
bonds (distance) P-C4' energy: -100.338
flat angles C4'-P-C4' energy: -86.367
flat angles P-C4'-P energy: -40.749
tors. eta vs tors. theta energy: 15.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -2010.540178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.540178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.540178 (E_RNA)
where:
Base-Base interactions energy: -1391.223
where: short stacking energy: -573.740
Base-Backbone interact. energy: 0.344
local terms energy: -619.660939
where:
bonds (distance) C4'-P energy: -123.018
bonds (distance) P-C4' energy: -118.790
flat angles C4'-P-C4' energy: -130.017
flat angles P-C4'-P energy: -87.888
tors. eta vs tors. theta energy: -159.948
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: 4
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1994.441195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.441195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.441195 (E_RNA)
where:
Base-Base interactions energy: -1397.366
where: short stacking energy: -575.524
Base-Backbone interact. energy: -3.662
local terms energy: -593.413344
where:
bonds (distance) C4'-P energy: -109.118
bonds (distance) P-C4' energy: -114.921
flat angles C4'-P-C4' energy: -128.995
flat angles P-C4'-P energy: -80.041
tors. eta vs tors. theta energy: -160.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -1878.333469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.333469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.333469 (E_RNA)
where:
Base-Base interactions energy: -1264.755
where: short stacking energy: -538.999
Base-Backbone interact. energy: -0.731
local terms energy: -612.847138
where:
bonds (distance) C4'-P energy: -108.019
bonds (distance) P-C4' energy: -115.336
flat angles C4'-P-C4' energy: -143.881
flat angles P-C4'-P energy: -91.566
tors. eta vs tors. theta energy: -154.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1762.938248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.938248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.938248 (E_RNA)
where:
Base-Base interactions energy: -1171.653
where: short stacking energy: -523.019
Base-Backbone interact. energy: -1.178
local terms energy: -590.107811
where:
bonds (distance) C4'-P energy: -108.311
bonds (distance) P-C4' energy: -116.713
flat angles C4'-P-C4' energy: -124.204
flat angles P-C4'-P energy: -86.996
tors. eta vs tors. theta energy: -153.884
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: 7
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -1704.406989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.406989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.406989 (E_RNA)
where:
Base-Base interactions energy: -1146.890
where: short stacking energy: -456.836
Base-Backbone interact. energy: 0.423
local terms energy: -557.940162
where:
bonds (distance) C4'-P energy: -103.869
bonds (distance) P-C4' energy: -113.350
flat angles C4'-P-C4' energy: -121.876
flat angles P-C4'-P energy: -86.686
tors. eta vs tors. theta energy: -132.160
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: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1516.983392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.983392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.983392 (E_RNA)
where:
Base-Base interactions energy: -1004.817
where: short stacking energy: -409.909
Base-Backbone interact. energy: -3.306
local terms energy: -508.860221
where:
bonds (distance) C4'-P energy: -103.837
bonds (distance) P-C4' energy: -110.987
flat angles C4'-P-C4' energy: -110.822
flat angles P-C4'-P energy: -78.630
tors. eta vs tors. theta energy: -104.583
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: 3
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1304.486710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.486710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.486710 (E_RNA)
where:
Base-Base interactions energy: -836.476
where: short stacking energy: -342.594
Base-Backbone interact. energy: -2.403
local terms energy: -465.607834
where:
bonds (distance) C4'-P energy: -95.771
bonds (distance) P-C4' energy: -94.991
flat angles C4'-P-C4' energy: -120.173
flat angles P-C4'-P energy: -69.369
tors. eta vs tors. theta energy: -85.303
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: 183
Temperature: 1.250000
Total energy: -1004.865101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.865101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.865101 (E_RNA)
where:
Base-Base interactions energy: -615.058
where: short stacking energy: -277.205
Base-Backbone interact. energy: -1.240
local terms energy: -388.566271
where:
bonds (distance) C4'-P energy: -85.906
bonds (distance) P-C4' energy: -101.257
flat angles C4'-P-C4' energy: -79.681
flat angles P-C4'-P energy: -61.214
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: 2
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -722.725026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.725026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.725026 (E_RNA)
where:
Base-Base interactions energy: -374.215
where: short stacking energy: -220.689
Base-Backbone interact. energy: 0.562
local terms energy: -349.071053
where:
bonds (distance) C4'-P energy: -80.254
bonds (distance) P-C4' energy: -97.272
flat angles C4'-P-C4' energy: -107.198
flat angles P-C4'-P energy: -35.015
tors. eta vs tors. theta energy: -29.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -644.693686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.693686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.693686 (E_RNA)
where:
Base-Base interactions energy: -338.648
where: short stacking energy: -156.391
Base-Backbone interact. energy: 2.696
local terms energy: -308.742402
where:
bonds (distance) C4'-P energy: -100.763
bonds (distance) P-C4' energy: -94.637
flat angles C4'-P-C4' energy: -67.529
flat angles P-C4'-P energy: -54.043
tors. eta vs tors. theta energy: 8.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -2012.822052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.822052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.822052 (E_RNA)
where:
Base-Base interactions energy: -1372.774
where: short stacking energy: -560.683
Base-Backbone interact. energy: -5.137
local terms energy: -634.911168
where:
bonds (distance) C4'-P energy: -118.433
bonds (distance) P-C4' energy: -123.703
flat angles C4'-P-C4' energy: -137.059
flat angles P-C4'-P energy: -96.183
tors. eta vs tors. theta energy: -159.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1986.941050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.941050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.941050 (E_RNA)
where:
Base-Base interactions energy: -1372.380
where: short stacking energy: -557.542
Base-Backbone interact. energy: -3.890
local terms energy: -610.670988
where:
bonds (distance) C4'-P energy: -113.094
bonds (distance) P-C4' energy: -121.292
flat angles C4'-P-C4' energy: -133.426
flat angles P-C4'-P energy: -80.635
tors. eta vs tors. theta energy: -162.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -1771.956555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.956555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.956555 (E_RNA)
where:
Base-Base interactions energy: -1195.623
where: short stacking energy: -537.646
Base-Backbone interact. energy: -0.531
local terms energy: -575.803425
where:
bonds (distance) C4'-P energy: -114.939
bonds (distance) P-C4' energy: -109.087
flat angles C4'-P-C4' energy: -116.659
flat angles P-C4'-P energy: -80.939
tors. eta vs tors. theta energy: -154.179
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: 8
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1827.135066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.135066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.135066 (E_RNA)
where:
Base-Base interactions energy: -1231.354
where: short stacking energy: -528.165
Base-Backbone interact. energy: -0.340
local terms energy: -595.441436
where:
bonds (distance) C4'-P energy: -115.696
bonds (distance) P-C4' energy: -119.655
flat angles C4'-P-C4' energy: -123.193
flat angles P-C4'-P energy: -85.939
tors. eta vs tors. theta energy: -150.958
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: 7
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1697.829130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.829130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.829130 (E_RNA)
where:
Base-Base interactions energy: -1143.754
where: short stacking energy: -466.879
Base-Backbone interact. energy: -1.125
local terms energy: -552.950254
where:
bonds (distance) C4'-P energy: -104.938
bonds (distance) P-C4' energy: -109.445
flat angles C4'-P-C4' energy: -111.931
flat angles P-C4'-P energy: -87.602
tors. eta vs tors. theta energy: -139.035
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: 6, replica: 10
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -1512.110467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.110467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.110467 (E_RNA)
where:
Base-Base interactions energy: -1037.382
where: short stacking energy: -451.882
Base-Backbone interact. energy: -1.766
local terms energy: -472.963228
where:
bonds (distance) C4'-P energy: -88.026
bonds (distance) P-C4' energy: -89.175
flat angles C4'-P-C4' energy: -100.789
flat angles P-C4'-P energy: -71.869
tors. eta vs tors. theta energy: -123.105
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: 3
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -1432.811977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.811977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.811977 (E_RNA)
where:
Base-Base interactions energy: -923.911
where: short stacking energy: -401.089
Base-Backbone interact. energy: -0.200
local terms energy: -508.701609
where:
bonds (distance) C4'-P energy: -99.770
bonds (distance) P-C4' energy: -98.291
flat angles C4'-P-C4' energy: -123.167
flat angles P-C4'-P energy: -74.314
tors. eta vs tors. theta energy: -113.160
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: 184
Temperature: 1.250000
Total energy: -1042.335979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.335979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.335979 (E_RNA)
where:
Base-Base interactions energy: -619.381
where: short stacking energy: -291.418
Base-Backbone interact. energy: 6.675
local terms energy: -429.629672
where:
bonds (distance) C4'-P energy: -110.655
bonds (distance) P-C4' energy: -97.933
flat angles C4'-P-C4' energy: -99.465
flat angles P-C4'-P energy: -71.485
tors. eta vs tors. theta energy: -50.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -676.137505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.137505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.137505 (E_RNA)
where:
Base-Base interactions energy: -340.673
where: short stacking energy: -186.145
Base-Backbone interact. energy: -1.280
local terms energy: -334.184786
where:
bonds (distance) C4'-P energy: -78.624
bonds (distance) P-C4' energy: -101.857
flat angles C4'-P-C4' energy: -87.372
flat angles P-C4'-P energy: -61.455
tors. eta vs tors. theta energy: -4.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -624.998505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.998505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.998505 (E_RNA)
where:
Base-Base interactions energy: -331.321
where: short stacking energy: -182.306
Base-Backbone interact. energy: -0.356
local terms energy: -293.321058
where:
bonds (distance) C4'-P energy: -81.870
bonds (distance) P-C4' energy: -91.329
flat angles C4'-P-C4' energy: -70.288
flat angles P-C4'-P energy: -64.826
tors. eta vs tors. theta energy: 14.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -2024.467425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.467425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.467425 (E_RNA)
where:
Base-Base interactions energy: -1393.968
where: short stacking energy: -539.775
Base-Backbone interact. energy: -3.985
local terms energy: -626.514299
where:
bonds (distance) C4'-P energy: -116.732
bonds (distance) P-C4' energy: -111.952
flat angles C4'-P-C4' energy: -139.345
flat angles P-C4'-P energy: -96.735
tors. eta vs tors. theta energy: -161.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1995.577266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.577266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.577266 (E_RNA)
where:
Base-Base interactions energy: -1379.222
where: short stacking energy: -542.080
Base-Backbone interact. energy: -1.399
local terms energy: -614.956169
where:
bonds (distance) C4'-P energy: -113.857
bonds (distance) P-C4' energy: -108.134
flat angles C4'-P-C4' energy: -139.623
flat angles P-C4'-P energy: -96.938
tors. eta vs tors. theta energy: -156.404
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: 1
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1765.605366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.605366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.605366 (E_RNA)
where:
Base-Base interactions energy: -1180.233
where: short stacking energy: -527.587
Base-Backbone interact. energy: 0.508
local terms energy: -585.879648
where:
bonds (distance) C4'-P energy: -106.399
bonds (distance) P-C4' energy: -98.576
flat angles C4'-P-C4' energy: -131.912
flat angles P-C4'-P energy: -87.979
tors. eta vs tors. theta energy: -161.013
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: 8
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -1803.435110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.435110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.435110 (E_RNA)
where:
Base-Base interactions energy: -1229.444
where: short stacking energy: -518.753
Base-Backbone interact. energy: -1.543
local terms energy: -572.448303
where:
bonds (distance) C4'-P energy: -107.121
bonds (distance) P-C4' energy: -112.995
flat angles C4'-P-C4' energy: -120.542
flat angles P-C4'-P energy: -76.901
tors. eta vs tors. theta energy: -154.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1677.679651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.679651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.679651 (E_RNA)
where:
Base-Base interactions energy: -1145.706
where: short stacking energy: -479.877
Base-Backbone interact. energy: -0.914
local terms energy: -531.059457
where:
bonds (distance) C4'-P energy: -108.060
bonds (distance) P-C4' energy: -94.356
flat angles C4'-P-C4' energy: -108.377
flat angles P-C4'-P energy: -77.056
tors. eta vs tors. theta energy: -143.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -1561.804017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.804017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.804017 (E_RNA)
where:
Base-Base interactions energy: -1064.971
where: short stacking energy: -462.107
Base-Backbone interact. energy: 1.737
local terms energy: -498.569603
where:
bonds (distance) C4'-P energy: -94.529
bonds (distance) P-C4' energy: -112.584
flat angles C4'-P-C4' energy: -105.689
flat angles P-C4'-P energy: -61.515
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: 7, replica: 3
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -1396.271020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.271020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.271020 (E_RNA)
where:
Base-Base interactions energy: -909.987
where: short stacking energy: -411.979
Base-Backbone interact. energy: -0.619
local terms energy: -485.665462
where:
bonds (distance) C4'-P energy: -109.839
bonds (distance) P-C4' energy: -102.347
flat angles C4'-P-C4' energy: -106.927
flat angles P-C4'-P energy: -68.871
tors. eta vs tors. theta energy: -97.681
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: 5
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -1035.209480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.209480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.209480 (E_RNA)
where:
Base-Base interactions energy: -627.079
where: short stacking energy: -299.839
Base-Backbone interact. energy: 2.539
local terms energy: -410.670377
where:
bonds (distance) C4'-P energy: -94.942
bonds (distance) P-C4' energy: -104.079
flat angles C4'-P-C4' energy: -100.063
flat angles P-C4'-P energy: -58.967
tors. eta vs tors. theta energy: -52.620
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: 2
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -678.937821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.937821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.937821 (E_RNA)
where:
Base-Base interactions energy: -312.380
where: short stacking energy: -171.525
Base-Backbone interact. energy: 2.318
local terms energy: -368.876299
where:
bonds (distance) C4'-P energy: -97.495
bonds (distance) P-C4' energy: -126.226
flat angles C4'-P-C4' energy: -92.530
flat angles P-C4'-P energy: -55.715
tors. eta vs tors. theta energy: 3.090
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: 6
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -611.017910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.017910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.017910 (E_RNA)
where:
Base-Base interactions energy: -314.292
where: short stacking energy: -177.292
Base-Backbone interact. energy: 0.823
local terms energy: -297.548178
where:
bonds (distance) C4'-P energy: -74.975
bonds (distance) P-C4' energy: -92.574
flat angles C4'-P-C4' energy: -88.516
flat angles P-C4'-P energy: -49.219
tors. eta vs tors. theta energy: 7.736
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: 4
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -2023.282547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.282547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.282547 (E_RNA)
where:
Base-Base interactions energy: -1393.274
where: short stacking energy: -575.662
Base-Backbone interact. energy: -4.802
local terms energy: -625.206391
where:
bonds (distance) C4'-P energy: -118.692
bonds (distance) P-C4' energy: -117.002
flat angles C4'-P-C4' energy: -131.553
flat angles P-C4'-P energy: -89.775
tors. eta vs tors. theta energy: -168.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1955.845326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.845326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.845326 (E_RNA)
where:
Base-Base interactions energy: -1361.486
where: short stacking energy: -551.627
Base-Backbone interact. energy: -3.302
local terms energy: -591.057062
where:
bonds (distance) C4'-P energy: -105.064
bonds (distance) P-C4' energy: -125.173
flat angles C4'-P-C4' energy: -122.788
flat angles P-C4'-P energy: -81.443
tors. eta vs tors. theta energy: -156.589
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: 8
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -1846.868476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.868476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.868476 (E_RNA)
where:
Base-Base interactions energy: -1256.013
where: short stacking energy: -560.939
Base-Backbone interact. energy: -1.510
local terms energy: -589.345879
where:
bonds (distance) C4'-P energy: -115.146
bonds (distance) P-C4' energy: -118.111
flat angles C4'-P-C4' energy: -115.399
flat angles P-C4'-P energy: -75.181
tors. eta vs tors. theta energy: -165.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -1761.496243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.496243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.496243 (E_RNA)
where:
Base-Base interactions energy: -1194.085
where: short stacking energy: -525.094
Base-Backbone interact. energy: 3.370
local terms energy: -570.781296
where:
bonds (distance) C4'-P energy: -95.670
bonds (distance) P-C4' energy: -112.711
flat angles C4'-P-C4' energy: -130.013
flat angles P-C4'-P energy: -83.193
tors. eta vs tors. theta energy: -149.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -1703.644876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.644876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.644876 (E_RNA)
where:
Base-Base interactions energy: -1126.277
where: short stacking energy: -455.285
Base-Backbone interact. energy: -4.365
local terms energy: -573.002906
where:
bonds (distance) C4'-P energy: -105.086
bonds (distance) P-C4' energy: -115.537
flat angles C4'-P-C4' energy: -128.051
flat angles P-C4'-P energy: -82.707
tors. eta vs tors. theta energy: -141.622
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: 10
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -1536.941416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.941416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.941416 (E_RNA)
where:
Base-Base interactions energy: -1048.519
where: short stacking energy: -481.402
Base-Backbone interact. energy: -1.595
local terms energy: -486.827343
where:
bonds (distance) C4'-P energy: -94.515
bonds (distance) P-C4' energy: -84.101
flat angles C4'-P-C4' energy: -112.101
flat angles P-C4'-P energy: -68.469
tors. eta vs tors. theta energy: -127.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1399.950905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.950905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.950905 (E_RNA)
where:
Base-Base interactions energy: -914.346
where: short stacking energy: -398.410
Base-Backbone interact. energy: 5.915
local terms energy: -491.520208
where:
bonds (distance) C4'-P energy: -93.739
bonds (distance) P-C4' energy: -100.806
flat angles C4'-P-C4' energy: -126.343
flat angles P-C4'-P energy: -64.278
tors. eta vs tors. theta energy: -106.355
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: 8, replica: 5
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -985.642658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.642658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.642658 (E_RNA)
where:
Base-Base interactions energy: -598.529
where: short stacking energy: -298.853
Base-Backbone interact. energy: 1.148
local terms energy: -388.261644
where:
bonds (distance) C4'-P energy: -74.883
bonds (distance) P-C4' energy: -93.299
flat angles C4'-P-C4' energy: -114.470
flat angles P-C4'-P energy: -60.080
tors. eta vs tors. theta energy: -45.530
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: 2
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -686.316400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.316400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.316400 (E_RNA)
where:
Base-Base interactions energy: -339.503
where: short stacking energy: -204.904
Base-Backbone interact. energy: -0.201
local terms energy: -346.612817
where:
bonds (distance) C4'-P energy: -96.096
bonds (distance) P-C4' energy: -90.555
flat angles C4'-P-C4' energy: -79.830
flat angles P-C4'-P energy: -56.224
tors. eta vs tors. theta energy: -23.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -584.855900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.855900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.855900 (E_RNA)
where:
Base-Base interactions energy: -274.274
where: short stacking energy: -155.410
Base-Backbone interact. energy: 0.980
local terms energy: -311.561302
where:
bonds (distance) C4'-P energy: -80.580
bonds (distance) P-C4' energy: -103.422
flat angles C4'-P-C4' energy: -77.697
flat angles P-C4'-P energy: -54.821
tors. eta vs tors. theta energy: 4.958
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: 4
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -2008.567857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.567857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.567857 (E_RNA)
where:
Base-Base interactions energy: -1383.446
where: short stacking energy: -564.748
Base-Backbone interact. energy: -3.458
local terms energy: -621.663852
where:
bonds (distance) C4'-P energy: -118.154
bonds (distance) P-C4' energy: -107.199
flat angles C4'-P-C4' energy: -137.331
flat angles P-C4'-P energy: -92.170
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1974.064954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.064954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.064954 (E_RNA)
where:
Base-Base interactions energy: -1359.269
where: short stacking energy: -571.381
Base-Backbone interact. energy: -1.379
local terms energy: -613.417208
where:
bonds (distance) C4'-P energy: -119.699
bonds (distance) P-C4' energy: -118.231
flat angles C4'-P-C4' energy: -126.728
flat angles P-C4'-P energy: -85.449
tors. eta vs tors. theta energy: -163.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1874.834304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.834304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.834304 (E_RNA)
where:
Base-Base interactions energy: -1272.155
where: short stacking energy: -536.675
Base-Backbone interact. energy: 1.545
local terms energy: -604.224466
where:
bonds (distance) C4'-P energy: -113.900
bonds (distance) P-C4' energy: -118.433
flat angles C4'-P-C4' energy: -133.741
flat angles P-C4'-P energy: -76.596
tors. eta vs tors. theta energy: -161.554
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: 4, replica: 7
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1753.040723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.040723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.040723 (E_RNA)
where:
Base-Base interactions energy: -1202.380
where: short stacking energy: -490.868
Base-Backbone interact. energy: -0.415
local terms energy: -550.245839
where:
bonds (distance) C4'-P energy: -109.345
bonds (distance) P-C4' energy: -89.711
flat angles C4'-P-C4' energy: -124.731
flat angles P-C4'-P energy: -78.130
tors. eta vs tors. theta energy: -148.330
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: 1
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1633.011745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.011745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.011745 (E_RNA)
where:
Base-Base interactions energy: -1076.921
where: short stacking energy: -455.644
Base-Backbone interact. energy: -2.923
local terms energy: -553.168260
where:
bonds (distance) C4'-P energy: -115.411
bonds (distance) P-C4' energy: -103.966
flat angles C4'-P-C4' energy: -111.064
flat angles P-C4'-P energy: -80.561
tors. eta vs tors. theta energy: -142.167
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: 10
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -1527.256769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.256769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.256769 (E_RNA)
where:
Base-Base interactions energy: -1022.420
where: short stacking energy: -435.958
Base-Backbone interact. energy: -2.812
local terms energy: -502.025369
where:
bonds (distance) C4'-P energy: -100.281
bonds (distance) P-C4' energy: -104.976
flat angles C4'-P-C4' energy: -116.985
flat angles P-C4'-P energy: -59.430
tors. eta vs tors. theta energy: -120.353
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: 7, replica: 3
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1338.284778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.284778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.284778 (E_RNA)
where:
Base-Base interactions energy: -875.689
where: short stacking energy: -352.981
Base-Backbone interact. energy: -2.955
local terms energy: -459.640847
where:
bonds (distance) C4'-P energy: -101.502
bonds (distance) P-C4' energy: -112.755
flat angles C4'-P-C4' energy: -102.477
flat angles P-C4'-P energy: -67.981
tors. eta vs tors. theta energy: -74.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -969.126501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.126501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.126501 (E_RNA)
where:
Base-Base interactions energy: -574.994
where: short stacking energy: -283.085
Base-Backbone interact. energy: -2.129
local terms energy: -392.003477
where:
bonds (distance) C4'-P energy: -78.027
bonds (distance) P-C4' energy: -94.309
flat angles C4'-P-C4' energy: -111.794
flat angles P-C4'-P energy: -65.965
tors. eta vs tors. theta energy: -41.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -653.412593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.412593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.412593 (E_RNA)
where:
Base-Base interactions energy: -316.496
where: short stacking energy: -182.470
Base-Backbone interact. energy: 1.080
local terms energy: -337.996828
where:
bonds (distance) C4'-P energy: -102.128
bonds (distance) P-C4' energy: -95.272
flat angles C4'-P-C4' energy: -85.387
flat angles P-C4'-P energy: -52.109
tors. eta vs tors. theta energy: -3.101
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: 10, replica: 6
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -587.943366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.943366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.943366 (E_RNA)
where:
Base-Base interactions energy: -279.158
where: short stacking energy: -172.884
Base-Backbone interact. energy: 3.440
local terms energy: -312.225357
where:
bonds (distance) C4'-P energy: -89.027
bonds (distance) P-C4' energy: -95.501
flat angles C4'-P-C4' energy: -76.214
flat angles P-C4'-P energy: -55.099
tors. eta vs tors. theta energy: 3.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -2014.829032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.829032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.829032 (E_RNA)
where:
Base-Base interactions energy: -1397.337
where: short stacking energy: -563.121
Base-Backbone interact. energy: -1.427
local terms energy: -616.065163
where:
bonds (distance) C4'-P energy: -111.202
bonds (distance) P-C4' energy: -112.923
flat angles C4'-P-C4' energy: -134.239
flat angles P-C4'-P energy: -90.941
tors. eta vs tors. theta energy: -166.760
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: 4
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1989.785108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.785108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.785108 (E_RNA)
where:
Base-Base interactions energy: -1382.780
where: short stacking energy: -554.911
Base-Backbone interact. energy: -5.139
local terms energy: -601.865740
where:
bonds (distance) C4'-P energy: -99.497
bonds (distance) P-C4' energy: -121.401
flat angles C4'-P-C4' energy: -127.625
flat angles P-C4'-P energy: -87.676
tors. eta vs tors. theta energy: -165.667
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: 8
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1869.121934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.121934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.121934 (E_RNA)
where:
Base-Base interactions energy: -1276.862
where: short stacking energy: -545.565
Base-Backbone interact. energy: 5.988
local terms energy: -598.248077
where:
bonds (distance) C4'-P energy: -106.492
bonds (distance) P-C4' energy: -119.752
flat angles C4'-P-C4' energy: -125.888
flat angles P-C4'-P energy: -74.383
tors. eta vs tors. theta energy: -171.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -1796.867423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.867423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.867423 (E_RNA)
where:
Base-Base interactions energy: -1204.111
where: short stacking energy: -523.497
Base-Backbone interact. energy: -2.151
local terms energy: -590.605578
where:
bonds (distance) C4'-P energy: -104.043
bonds (distance) P-C4' energy: -110.444
flat angles C4'-P-C4' energy: -123.153
flat angles P-C4'-P energy: -82.496
tors. eta vs tors. theta energy: -170.469
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: 1
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -1628.618190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.618190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.618190 (E_RNA)
where:
Base-Base interactions energy: -1059.782
where: short stacking energy: -470.398
Base-Backbone interact. energy: -2.301
local terms energy: -566.534321
where:
bonds (distance) C4'-P energy: -102.374
bonds (distance) P-C4' energy: -121.109
flat angles C4'-P-C4' energy: -121.538
flat angles P-C4'-P energy: -78.408
tors. eta vs tors. theta energy: -143.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -1562.188078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.188078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.188078 (E_RNA)
where:
Base-Base interactions energy: -1030.149
where: short stacking energy: -446.014
Base-Backbone interact. energy: -3.682
local terms energy: -528.356595
where:
bonds (distance) C4'-P energy: -96.636
bonds (distance) P-C4' energy: -113.210
flat angles C4'-P-C4' energy: -117.250
flat angles P-C4'-P energy: -77.693
tors. eta vs tors. theta energy: -123.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -1370.117732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.117732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.117732 (E_RNA)
where:
Base-Base interactions energy: -906.644
where: short stacking energy: -379.767
Base-Backbone interact. energy: -4.122
local terms energy: -459.352180
where:
bonds (distance) C4'-P energy: -82.757
bonds (distance) P-C4' energy: -106.375
flat angles C4'-P-C4' energy: -125.119
flat angles P-C4'-P energy: -62.495
tors. eta vs tors. theta energy: -82.606
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: 8, replica: 5
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -955.708728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.708728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.708728 (E_RNA)
where:
Base-Base interactions energy: -535.429
where: short stacking energy: -286.654
Base-Backbone interact. energy: 1.662
local terms energy: -421.941206
where:
bonds (distance) C4'-P energy: -91.267
bonds (distance) P-C4' energy: -111.388
flat angles C4'-P-C4' energy: -92.045
flat angles P-C4'-P energy: -68.674
tors. eta vs tors. theta energy: -58.567
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: 9, replica: 2
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -647.444191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.444191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.444191 (E_RNA)
where:
Base-Base interactions energy: -325.318
where: short stacking energy: -192.752
Base-Backbone interact. energy: 1.618
local terms energy: -323.743700
where:
bonds (distance) C4'-P energy: -81.516
bonds (distance) P-C4' energy: -79.679
flat angles C4'-P-C4' energy: -81.686
flat angles P-C4'-P energy: -61.605
tors. eta vs tors. theta energy: -19.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -575.720747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.720747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.720747 (E_RNA)
where:
Base-Base interactions energy: -248.557
where: short stacking energy: -151.660
Base-Backbone interact. energy: -0.919
local terms energy: -326.245146
where:
bonds (distance) C4'-P energy: -104.257
bonds (distance) P-C4' energy: -95.868
flat angles C4'-P-C4' energy: -75.680
flat angles P-C4'-P energy: -55.511
tors. eta vs tors. theta energy: 5.070
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: 9
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -2013.401056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.401056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.401056 (E_RNA)
where:
Base-Base interactions energy: -1414.956
where: short stacking energy: -564.056
Base-Backbone interact. energy: -3.393
local terms energy: -595.052902
where:
bonds (distance) C4'-P energy: -115.241
bonds (distance) P-C4' energy: -118.378
flat angles C4'-P-C4' energy: -124.271
flat angles P-C4'-P energy: -79.398
tors. eta vs tors. theta energy: -157.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1979.379132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.379132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.379132 (E_RNA)
where:
Base-Base interactions energy: -1367.487
where: short stacking energy: -545.521
Base-Backbone interact. energy: -2.899
local terms energy: -608.993058
where:
bonds (distance) C4'-P energy: -123.178
bonds (distance) P-C4' energy: -114.896
flat angles C4'-P-C4' energy: -129.920
flat angles P-C4'-P energy: -83.196
tors. eta vs tors. theta energy: -157.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1898.781912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.781912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.781912 (E_RNA)
where:
Base-Base interactions energy: -1321.466
where: short stacking energy: -533.282
Base-Backbone interact. energy: 0.835
local terms energy: -578.151707
where:
bonds (distance) C4'-P energy: -108.954
bonds (distance) P-C4' energy: -102.342
flat angles C4'-P-C4' energy: -125.659
flat angles P-C4'-P energy: -72.242
tors. eta vs tors. theta energy: -168.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1738.277438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.277438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.277438 (E_RNA)
where:
Base-Base interactions energy: -1191.208
where: short stacking energy: -491.959
Base-Backbone interact. energy: -0.889
local terms energy: -546.180419
where:
bonds (distance) C4'-P energy: -106.955
bonds (distance) P-C4' energy: -111.625
flat angles C4'-P-C4' energy: -115.650
flat angles P-C4'-P energy: -72.636
tors. eta vs tors. theta energy: -139.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1669.342069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.342069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.342069 (E_RNA)
where:
Base-Base interactions energy: -1128.219
where: short stacking energy: -507.929
Base-Backbone interact. energy: 2.609
local terms energy: -543.732066
where:
bonds (distance) C4'-P energy: -94.078
bonds (distance) P-C4' energy: -102.854
flat angles C4'-P-C4' energy: -121.120
flat angles P-C4'-P energy: -74.429
tors. eta vs tors. theta energy: -151.251
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: 10
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -1542.305759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.305759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.305759 (E_RNA)
where:
Base-Base interactions energy: -1033.998
where: short stacking energy: -442.348
Base-Backbone interact. energy: -2.835
local terms energy: -505.473301
where:
bonds (distance) C4'-P energy: -99.639
bonds (distance) P-C4' energy: -100.904
flat angles C4'-P-C4' energy: -112.335
flat angles P-C4'-P energy: -69.445
tors. eta vs tors. theta energy: -123.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -1328.636873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.636873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.636873 (E_RNA)
where:
Base-Base interactions energy: -881.505
where: short stacking energy: -378.731
Base-Backbone interact. energy: 0.206
local terms energy: -447.337937
where:
bonds (distance) C4'-P energy: -108.107
bonds (distance) P-C4' energy: -92.760
flat angles C4'-P-C4' energy: -96.980
flat angles P-C4'-P energy: -60.856
tors. eta vs tors. theta energy: -88.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -920.205846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.205846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.205846 (E_RNA)
where:
Base-Base interactions energy: -536.502
where: short stacking energy: -264.632
Base-Backbone interact. energy: -1.098
local terms energy: -382.606291
where:
bonds (distance) C4'-P energy: -94.546
bonds (distance) P-C4' energy: -100.054
flat angles C4'-P-C4' energy: -93.474
flat angles P-C4'-P energy: -59.579
tors. eta vs tors. theta energy: -34.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -641.549517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.549517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.549517 (E_RNA)
where:
Base-Base interactions energy: -299.204
where: short stacking energy: -189.319
Base-Backbone interact. energy: -0.786
local terms energy: -341.559157
where:
bonds (distance) C4'-P energy: -98.368
bonds (distance) P-C4' energy: -110.921
flat angles C4'-P-C4' energy: -89.314
flat angles P-C4'-P energy: -39.682
tors. eta vs tors. theta energy: -3.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -587.512079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.512079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.512079 (E_RNA)
where:
Base-Base interactions energy: -268.035
where: short stacking energy: -130.221
Base-Backbone interact. energy: 2.737
local terms energy: -322.214778
where:
bonds (distance) C4'-P energy: -95.128
bonds (distance) P-C4' energy: -104.945
flat angles C4'-P-C4' energy: -95.298
flat angles P-C4'-P energy: -41.152
tors. eta vs tors. theta energy: 14.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -2013.467357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.467357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.467357 (E_RNA)
where:
Base-Base interactions energy: -1403.269
where: short stacking energy: -572.537
Base-Backbone interact. energy: 0.215
local terms energy: -610.413962
where:
bonds (distance) C4'-P energy: -122.760
bonds (distance) P-C4' energy: -111.662
flat angles C4'-P-C4' energy: -134.826
flat angles P-C4'-P energy: -74.202
tors. eta vs tors. theta energy: -166.964
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: 9
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1979.533068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.533068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.533068 (E_RNA)
where:
Base-Base interactions energy: -1370.557
where: short stacking energy: -557.866
Base-Backbone interact. energy: -1.719
local terms energy: -607.257322
where:
bonds (distance) C4'-P energy: -108.618
bonds (distance) P-C4' energy: -116.556
flat angles C4'-P-C4' energy: -124.974
flat angles P-C4'-P energy: -88.563
tors. eta vs tors. theta energy: -168.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -1931.389478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.389478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.389478 (E_RNA)
where:
Base-Base interactions energy: -1325.046
where: short stacking energy: -575.495
Base-Backbone interact. energy: -1.785
local terms energy: -604.558845
where:
bonds (distance) C4'-P energy: -108.544
bonds (distance) P-C4' energy: -112.468
flat angles C4'-P-C4' energy: -124.328
flat angles P-C4'-P energy: -84.279
tors. eta vs tors. theta energy: -174.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1752.983737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.983737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.983737 (E_RNA)
where:
Base-Base interactions energy: -1185.359
where: short stacking energy: -504.021
Base-Backbone interact. energy: 1.199
local terms energy: -568.823881
where:
bonds (distance) C4'-P energy: -119.514
bonds (distance) P-C4' energy: -114.289
flat angles C4'-P-C4' energy: -124.826
flat angles P-C4'-P energy: -67.299
tors. eta vs tors. theta energy: -142.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1652.701844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.701844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.701844 (E_RNA)
where:
Base-Base interactions energy: -1102.653
where: short stacking energy: -508.711
Base-Backbone interact. energy: -0.555
local terms energy: -549.493936
where:
bonds (distance) C4'-P energy: -101.388
bonds (distance) P-C4' energy: -109.746
flat angles C4'-P-C4' energy: -124.085
flat angles P-C4'-P energy: -72.090
tors. eta vs tors. theta energy: -142.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1526.638444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.638444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.638444 (E_RNA)
where:
Base-Base interactions energy: -1008.345
where: short stacking energy: -435.301
Base-Backbone interact. energy: -2.254
local terms energy: -516.038776
where:
bonds (distance) C4'-P energy: -95.921
bonds (distance) P-C4' energy: -115.811
flat angles C4'-P-C4' energy: -117.065
flat angles P-C4'-P energy: -75.285
tors. eta vs tors. theta energy: -111.957
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: 3
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -1359.086247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.086247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.086247 (E_RNA)
where:
Base-Base interactions energy: -904.332
where: short stacking energy: -371.806
Base-Backbone interact. energy: -1.939
local terms energy: -452.815151
where:
bonds (distance) C4'-P energy: -107.320
bonds (distance) P-C4' energy: -91.318
flat angles C4'-P-C4' energy: -94.308
flat angles P-C4'-P energy: -72.034
tors. eta vs tors. theta energy: -87.835
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: 190
Temperature: 1.250000
Total energy: -963.753448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.753448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.753448 (E_RNA)
where:
Base-Base interactions energy: -586.185
where: short stacking energy: -270.516
Base-Backbone interact. energy: 1.351
local terms energy: -378.918932
where:
bonds (distance) C4'-P energy: -106.001
bonds (distance) P-C4' energy: -95.153
flat angles C4'-P-C4' energy: -79.932
flat angles P-C4'-P energy: -63.985
tors. eta vs tors. theta energy: -33.849
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: 2
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -644.388406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.388406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.388406 (E_RNA)
where:
Base-Base interactions energy: -308.326
where: short stacking energy: -195.275
Base-Backbone interact. energy: -1.551
local terms energy: -334.511033
where:
bonds (distance) C4'-P energy: -78.624
bonds (distance) P-C4' energy: -93.122
flat angles C4'-P-C4' energy: -96.800
flat angles P-C4'-P energy: -52.773
tors. eta vs tors. theta energy: -13.192
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: 6
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -577.932045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.932045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.932045 (E_RNA)
where:
Base-Base interactions energy: -293.064
where: short stacking energy: -177.726
Base-Backbone interact. energy: 1.204
local terms energy: -286.071323
where:
bonds (distance) C4'-P energy: -88.619
bonds (distance) P-C4' energy: -78.987
flat angles C4'-P-C4' energy: -81.208
flat angles P-C4'-P energy: -44.871
tors. eta vs tors. theta energy: 7.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1998.426474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.426474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.426474 (E_RNA)
where:
Base-Base interactions energy: -1373.927
where: short stacking energy: -554.113
Base-Backbone interact. energy: -3.184
local terms energy: -621.315473
where:
bonds (distance) C4'-P energy: -110.832
bonds (distance) P-C4' energy: -123.358
flat angles C4'-P-C4' energy: -129.054
flat angles P-C4'-P energy: -93.321
tors. eta vs tors. theta energy: -164.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1988.664327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.664327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.664327 (E_RNA)
where:
Base-Base interactions energy: -1332.972
where: short stacking energy: -582.315
Base-Backbone interact. energy: -1.313
local terms energy: -654.378844
where:
bonds (distance) C4'-P energy: -113.182
bonds (distance) P-C4' energy: -131.620
flat angles C4'-P-C4' energy: -140.642
flat angles P-C4'-P energy: -93.482
tors. eta vs tors. theta energy: -175.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1949.601312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.601312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.601312 (E_RNA)
where:
Base-Base interactions energy: -1361.388
where: short stacking energy: -554.888
Base-Backbone interact. energy: -3.265
local terms energy: -584.947944
where:
bonds (distance) C4'-P energy: -101.988
bonds (distance) P-C4' energy: -105.840
flat angles C4'-P-C4' energy: -124.946
flat angles P-C4'-P energy: -84.763
tors. eta vs tors. theta energy: -167.410
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: 4, replica: 7
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -1713.186110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.186110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.186110 (E_RNA)
where:
Base-Base interactions energy: -1143.606
where: short stacking energy: -508.001
Base-Backbone interact. energy: -1.938
local terms energy: -567.641993
where:
bonds (distance) C4'-P energy: -103.748
bonds (distance) P-C4' energy: -113.347
flat angles C4'-P-C4' energy: -123.368
flat angles P-C4'-P energy: -64.588
tors. eta vs tors. theta energy: -162.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -1658.356518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.356518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.356518 (E_RNA)
where:
Base-Base interactions energy: -1106.831
where: short stacking energy: -480.571
Base-Backbone interact. energy: -0.525
local terms energy: -551.000176
where:
bonds (distance) C4'-P energy: -101.378
bonds (distance) P-C4' energy: -115.948
flat angles C4'-P-C4' energy: -124.542
flat angles P-C4'-P energy: -78.044
tors. eta vs tors. theta energy: -131.089
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: 10
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -1548.406031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.406031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.406031 (E_RNA)
where:
Base-Base interactions energy: -1053.792
where: short stacking energy: -452.535
Base-Backbone interact. energy: 6.245
local terms energy: -500.859268
where:
bonds (distance) C4'-P energy: -104.693
bonds (distance) P-C4' energy: -102.927
flat angles C4'-P-C4' energy: -113.131
flat angles P-C4'-P energy: -65.449
tors. eta vs tors. theta energy: -114.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -1317.988793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.988793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.988793 (E_RNA)
where:
Base-Base interactions energy: -878.673
where: short stacking energy: -377.487
Base-Backbone interact. energy: 4.389
local terms energy: -443.704543
where:
bonds (distance) C4'-P energy: -97.768
bonds (distance) P-C4' energy: -91.106
flat angles C4'-P-C4' energy: -95.649
flat angles P-C4'-P energy: -67.195
tors. eta vs tors. theta energy: -91.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -979.517295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.517295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.517295 (E_RNA)
where:
Base-Base interactions energy: -584.246
where: short stacking energy: -288.432
Base-Backbone interact. energy: 3.720
local terms energy: -398.991181
where:
bonds (distance) C4'-P energy: -94.241
bonds (distance) P-C4' energy: -92.437
flat angles C4'-P-C4' energy: -101.040
flat angles P-C4'-P energy: -45.241
tors. eta vs tors. theta energy: -66.032
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: 2
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -680.543653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.543653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.543653 (E_RNA)
where:
Base-Base interactions energy: -356.251
where: short stacking energy: -166.351
Base-Backbone interact. energy: -3.768
local terms energy: -320.524899
where:
bonds (distance) C4'-P energy: -99.208
bonds (distance) P-C4' energy: -69.472
flat angles C4'-P-C4' energy: -95.630
flat angles P-C4'-P energy: -69.006
tors. eta vs tors. theta energy: 12.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -584.949836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.949836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.949836 (E_RNA)
where:
Base-Base interactions energy: -285.784
where: short stacking energy: -177.457
Base-Backbone interact. energy: 1.055
local terms energy: -300.221139
where:
bonds (distance) C4'-P energy: -83.131
bonds (distance) P-C4' energy: -95.221
flat angles C4'-P-C4' energy: -56.547
flat angles P-C4'-P energy: -52.533
tors. eta vs tors. theta energy: -12.788
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: 1, replica: 8
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -2005.524647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.524647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.524647 (E_RNA)
where:
Base-Base interactions energy: -1381.813
where: short stacking energy: -618.910
Base-Backbone interact. energy: 0.396
local terms energy: -624.106928
where:
bonds (distance) C4'-P energy: -115.245
bonds (distance) P-C4' energy: -109.451
flat angles C4'-P-C4' energy: -139.241
flat angles P-C4'-P energy: -81.092
tors. eta vs tors. theta energy: -179.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -1972.125031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.125031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.125031 (E_RNA)
where:
Base-Base interactions energy: -1363.762
where: short stacking energy: -539.999
Base-Backbone interact. energy: -2.131
local terms energy: -606.232710
where:
bonds (distance) C4'-P energy: -111.256
bonds (distance) P-C4' energy: -114.193
flat angles C4'-P-C4' energy: -143.624
flat angles P-C4'-P energy: -80.993
tors. eta vs tors. theta energy: -156.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1905.404405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.404405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.404405 (E_RNA)
where:
Base-Base interactions energy: -1302.695
where: short stacking energy: -543.631
Base-Backbone interact. energy: 0.952
local terms energy: -603.661549
where:
bonds (distance) C4'-P energy: -109.013
bonds (distance) P-C4' energy: -121.259
flat angles C4'-P-C4' energy: -139.402
flat angles P-C4'-P energy: -71.293
tors. eta vs tors. theta energy: -162.695
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: 7
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1689.636675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.636675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.636675 (E_RNA)
where:
Base-Base interactions energy: -1133.097
where: short stacking energy: -499.352
Base-Backbone interact. energy: 3.008
local terms energy: -559.547368
where:
bonds (distance) C4'-P energy: -98.867
bonds (distance) P-C4' energy: -118.187
flat angles C4'-P-C4' energy: -126.274
flat angles P-C4'-P energy: -77.871
tors. eta vs tors. theta energy: -138.348
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: 5, replica: 1
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -1628.986167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.986167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.986167 (E_RNA)
where:
Base-Base interactions energy: -1081.634
where: short stacking energy: -483.515
Base-Backbone interact. energy: -2.007
local terms energy: -545.345742
where:
bonds (distance) C4'-P energy: -102.620
bonds (distance) P-C4' energy: -94.883
flat angles C4'-P-C4' energy: -127.759
flat angles P-C4'-P energy: -77.822
tors. eta vs tors. theta energy: -142.262
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: 10
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -1498.603773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.603773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.603773 (E_RNA)
where:
Base-Base interactions energy: -971.588
where: short stacking energy: -445.401
Base-Backbone interact. energy: -1.076
local terms energy: -525.939357
where:
bonds (distance) C4'-P energy: -109.819
bonds (distance) P-C4' energy: -101.099
flat angles C4'-P-C4' energy: -113.406
flat angles P-C4'-P energy: -76.440
tors. eta vs tors. theta energy: -125.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -1282.872479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.872479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.872479 (E_RNA)
where:
Base-Base interactions energy: -857.670
where: short stacking energy: -384.824
Base-Backbone interact. energy: 3.978
local terms energy: -429.179710
where:
bonds (distance) C4'-P energy: -96.211
bonds (distance) P-C4' energy: -99.341
flat angles C4'-P-C4' energy: -85.370
flat angles P-C4'-P energy: -59.825
tors. eta vs tors. theta energy: -88.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -993.206085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.206085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.206085 (E_RNA)
where:
Base-Base interactions energy: -581.939
where: short stacking energy: -274.012
Base-Backbone interact. energy: -1.551
local terms energy: -409.715398
where:
bonds (distance) C4'-P energy: -103.968
bonds (distance) P-C4' energy: -108.597
flat angles C4'-P-C4' energy: -93.302
flat angles P-C4'-P energy: -57.739
tors. eta vs tors. theta energy: -46.108
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: 9, replica: 2
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -725.970818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.970818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.970818 (E_RNA)
where:
Base-Base interactions energy: -386.520
where: short stacking energy: -198.473
Base-Backbone interact. energy: 5.913
local terms energy: -345.363942
where:
bonds (distance) C4'-P energy: -97.350
bonds (distance) P-C4' energy: -94.535
flat angles C4'-P-C4' energy: -81.723
flat angles P-C4'-P energy: -50.677
tors. eta vs tors. theta energy: -21.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -572.521892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.521892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.521892 (E_RNA)
where:
Base-Base interactions energy: -260.020
where: short stacking energy: -156.334
Base-Backbone interact. energy: -2.713
local terms energy: -309.788048
where:
bonds (distance) C4'-P energy: -97.199
bonds (distance) P-C4' energy: -89.134
flat angles C4'-P-C4' energy: -76.609
flat angles P-C4'-P energy: -50.878
tors. eta vs tors. theta energy: 4.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -2012.068858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.068858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.068858 (E_RNA)
where:
Base-Base interactions energy: -1380.795
where: short stacking energy: -582.794
Base-Backbone interact. energy: -1.157
local terms energy: -630.116785
where:
bonds (distance) C4'-P energy: -120.801
bonds (distance) P-C4' energy: -122.323
flat angles C4'-P-C4' energy: -130.805
flat angles P-C4'-P energy: -86.686
tors. eta vs tors. theta energy: -169.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1979.462263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.462263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.462263 (E_RNA)
where:
Base-Base interactions energy: -1390.807
where: short stacking energy: -539.592
Base-Backbone interact. energy: -1.168
local terms energy: -587.487587
where:
bonds (distance) C4'-P energy: -106.750
bonds (distance) P-C4' energy: -121.107
flat angles C4'-P-C4' energy: -122.350
flat angles P-C4'-P energy: -82.177
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: 3, replica: 9
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1890.616308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.616308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.616308 (E_RNA)
where:
Base-Base interactions energy: -1302.736
where: short stacking energy: -537.289
Base-Backbone interact. energy: -1.914
local terms energy: -585.966681
where:
bonds (distance) C4'-P energy: -100.364
bonds (distance) P-C4' energy: -118.070
flat angles C4'-P-C4' energy: -131.239
flat angles P-C4'-P energy: -85.612
tors. eta vs tors. theta energy: -150.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -1729.970634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.970634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.970634 (E_RNA)
where:
Base-Base interactions energy: -1149.173
where: short stacking energy: -502.095
Base-Backbone interact. energy: -3.134
local terms energy: -577.663814
where:
bonds (distance) C4'-P energy: -107.410
bonds (distance) P-C4' energy: -100.967
flat angles C4'-P-C4' energy: -138.699
flat angles P-C4'-P energy: -80.919
tors. eta vs tors. theta energy: -149.669
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: 1
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -1635.242178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.242178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.242178 (E_RNA)
where:
Base-Base interactions energy: -1091.578
where: short stacking energy: -477.140
Base-Backbone interact. energy: -1.265
local terms energy: -542.398474
where:
bonds (distance) C4'-P energy: -112.363
bonds (distance) P-C4' energy: -118.047
flat angles C4'-P-C4' energy: -112.615
flat angles P-C4'-P energy: -68.761
tors. eta vs tors. theta energy: -130.613
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: 10
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -1515.415145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.415145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.415145 (E_RNA)
where:
Base-Base interactions energy: -1035.826
where: short stacking energy: -445.805
Base-Backbone interact. energy: 3.745
local terms energy: -483.334636
where:
bonds (distance) C4'-P energy: -103.193
bonds (distance) P-C4' energy: -102.099
flat angles C4'-P-C4' energy: -114.905
flat angles P-C4'-P energy: -63.080
tors. eta vs tors. theta energy: -100.057
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: 3
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1255.816395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.816395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.816395 (E_RNA)
where:
Base-Base interactions energy: -812.941
where: short stacking energy: -342.010
Base-Backbone interact. energy: -0.336
local terms energy: -442.539352
where:
bonds (distance) C4'-P energy: -92.053
bonds (distance) P-C4' energy: -96.129
flat angles C4'-P-C4' energy: -111.558
flat angles P-C4'-P energy: -62.717
tors. eta vs tors. theta energy: -80.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -958.329659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.329659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.329659 (E_RNA)
where:
Base-Base interactions energy: -561.048
where: short stacking energy: -246.909
Base-Backbone interact. energy: -1.221
local terms energy: -396.061207
where:
bonds (distance) C4'-P energy: -88.435
bonds (distance) P-C4' energy: -94.383
flat angles C4'-P-C4' energy: -114.518
flat angles P-C4'-P energy: -60.898
tors. eta vs tors. theta energy: -37.828
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: 9, replica: 2
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -703.042176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.042176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.042176 (E_RNA)
where:
Base-Base interactions energy: -381.027
where: short stacking energy: -205.293
Base-Backbone interact. energy: 1.937
local terms energy: -323.952616
where:
bonds (distance) C4'-P energy: -79.957
bonds (distance) P-C4' energy: -104.546
flat angles C4'-P-C4' energy: -98.427
flat angles P-C4'-P energy: -36.330
tors. eta vs tors. theta energy: -4.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -549.725962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.725962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.725962 (E_RNA)
where:
Base-Base interactions energy: -254.790
where: short stacking energy: -158.677
Base-Backbone interact. energy: 4.930
local terms energy: -299.865559
where:
bonds (distance) C4'-P energy: -87.668
bonds (distance) P-C4' energy: -110.620
flat angles C4'-P-C4' energy: -68.934
flat angles P-C4'-P energy: -46.609
tors. eta vs tors. theta energy: 13.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -2024.630028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.630028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.630028 (E_RNA)
where:
Base-Base interactions energy: -1380.761
where: short stacking energy: -608.161
Base-Backbone interact. energy: -0.608
local terms energy: -643.260532
where:
bonds (distance) C4'-P energy: -121.367
bonds (distance) P-C4' energy: -114.032
flat angles C4'-P-C4' energy: -140.299
flat angles P-C4'-P energy: -81.979
tors. eta vs tors. theta energy: -185.583
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: 4
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1959.418994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.418994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.418994 (E_RNA)
where:
Base-Base interactions energy: -1353.888
where: short stacking energy: -529.404
Base-Backbone interact. energy: -2.853
local terms energy: -602.677933
where:
bonds (distance) C4'-P energy: -109.288
bonds (distance) P-C4' energy: -112.713
flat angles C4'-P-C4' energy: -132.010
flat angles P-C4'-P energy: -94.156
tors. eta vs tors. theta energy: -154.511
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: 9
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1905.383069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.383069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.383069 (E_RNA)
where:
Base-Base interactions energy: -1311.282
where: short stacking energy: -541.179
Base-Backbone interact. energy: -3.774
local terms energy: -590.327953
where:
bonds (distance) C4'-P energy: -109.490
bonds (distance) P-C4' energy: -90.107
flat angles C4'-P-C4' energy: -138.773
flat angles P-C4'-P energy: -91.222
tors. eta vs tors. theta energy: -160.736
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: 4, replica: 7
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1750.902198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.902198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.902198 (E_RNA)
where:
Base-Base interactions energy: -1218.639
where: short stacking energy: -501.225
Base-Backbone interact. energy: -2.565
local terms energy: -529.698900
where:
bonds (distance) C4'-P energy: -97.700
bonds (distance) P-C4' energy: -101.634
flat angles C4'-P-C4' energy: -113.186
flat angles P-C4'-P energy: -80.168
tors. eta vs tors. theta energy: -137.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1622.031017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.031017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.031017 (E_RNA)
where:
Base-Base interactions energy: -1111.894
where: short stacking energy: -479.944
Base-Backbone interact. energy: -0.783
local terms energy: -509.353698
where:
bonds (distance) C4'-P energy: -104.383
bonds (distance) P-C4' energy: -87.002
flat angles C4'-P-C4' energy: -113.784
flat angles P-C4'-P energy: -70.316
tors. eta vs tors. theta energy: -133.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1511.176150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.176150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.176150 (E_RNA)
where:
Base-Base interactions energy: -987.994
where: short stacking energy: -435.732
Base-Backbone interact. energy: -4.007
local terms energy: -519.174869
where:
bonds (distance) C4'-P energy: -107.518
bonds (distance) P-C4' energy: -92.615
flat angles C4'-P-C4' energy: -112.570
flat angles P-C4'-P energy: -84.271
tors. eta vs tors. theta energy: -122.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1274.699154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.699154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.699154 (E_RNA)
where:
Base-Base interactions energy: -803.348
where: short stacking energy: -367.099
Base-Backbone interact. energy: -3.547
local terms energy: -467.803471
where:
bonds (distance) C4'-P energy: -106.026
bonds (distance) P-C4' energy: -101.280
flat angles C4'-P-C4' energy: -106.579
flat angles P-C4'-P energy: -65.616
tors. eta vs tors. theta energy: -88.302
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: 194
Temperature: 1.250000
Total energy: -980.722473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.722473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.722473 (E_RNA)
where:
Base-Base interactions energy: -591.575
where: short stacking energy: -301.475
Base-Backbone interact. energy: 5.073
local terms energy: -394.220780
where:
bonds (distance) C4'-P energy: -108.355
bonds (distance) P-C4' energy: -96.069
flat angles C4'-P-C4' energy: -92.782
flat angles P-C4'-P energy: -56.611
tors. eta vs tors. theta energy: -40.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -685.212610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.212610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.212610 (E_RNA)
where:
Base-Base interactions energy: -368.328
where: short stacking energy: -187.405
Base-Backbone interact. energy: -0.302
local terms energy: -316.582394
where:
bonds (distance) C4'-P energy: -103.813
bonds (distance) P-C4' energy: -83.417
flat angles C4'-P-C4' energy: -73.206
flat angles P-C4'-P energy: -51.922
tors. eta vs tors. theta energy: -4.224
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: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -552.840468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.840468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.840468 (E_RNA)
where:
Base-Base interactions energy: -251.232
where: short stacking energy: -143.698
Base-Backbone interact. energy: -2.441
local terms energy: -299.167341
where:
bonds (distance) C4'-P energy: -90.796
bonds (distance) P-C4' energy: -104.925
flat angles C4'-P-C4' energy: -90.795
flat angles P-C4'-P energy: -26.175
tors. eta vs tors. theta energy: 13.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -2036.945689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.945689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.945689 (E_RNA)
where:
Base-Base interactions energy: -1398.102
where: short stacking energy: -615.325
Base-Backbone interact. energy: -2.623
local terms energy: -636.220378
where:
bonds (distance) C4'-P energy: -103.284
bonds (distance) P-C4' energy: -112.559
flat angles C4'-P-C4' energy: -130.703
flat angles P-C4'-P energy: -100.786
tors. eta vs tors. theta energy: -188.889
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: 9
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1953.232001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.232001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.232001 (E_RNA)
where:
Base-Base interactions energy: -1359.595
where: short stacking energy: -538.855
Base-Backbone interact. energy: -3.185
local terms energy: -590.452101
where:
bonds (distance) C4'-P energy: -114.563
bonds (distance) P-C4' energy: -112.755
flat angles C4'-P-C4' energy: -129.131
flat angles P-C4'-P energy: -76.113
tors. eta vs tors. theta energy: -157.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1901.591769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.591769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.591769 (E_RNA)
where:
Base-Base interactions energy: -1320.259
where: short stacking energy: -528.454
Base-Backbone interact. energy: -0.798
local terms energy: -580.535132
where:
bonds (distance) C4'-P energy: -98.436
bonds (distance) P-C4' energy: -122.904
flat angles C4'-P-C4' energy: -124.204
flat angles P-C4'-P energy: -83.540
tors. eta vs tors. theta energy: -151.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1767.006041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.006041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.006041 (E_RNA)
where:
Base-Base interactions energy: -1211.606
where: short stacking energy: -503.341
Base-Backbone interact. energy: 1.787
local terms energy: -557.187041
where:
bonds (distance) C4'-P energy: -102.728
bonds (distance) P-C4' energy: -106.197
flat angles C4'-P-C4' energy: -120.082
flat angles P-C4'-P energy: -81.387
tors. eta vs tors. theta energy: -146.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -1582.100064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.100064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.100064 (E_RNA)
where:
Base-Base interactions energy: -1052.441
where: short stacking energy: -452.953
Base-Backbone interact. energy: 0.375
local terms energy: -530.034653
where:
bonds (distance) C4'-P energy: -98.096
bonds (distance) P-C4' energy: -100.347
flat angles C4'-P-C4' energy: -131.464
flat angles P-C4'-P energy: -75.767
tors. eta vs tors. theta energy: -124.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1502.010126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.010126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.010126 (E_RNA)
where:
Base-Base interactions energy: -966.068
where: short stacking energy: -422.592
Base-Backbone interact. energy: -3.178
local terms energy: -532.763373
where:
bonds (distance) C4'-P energy: -92.170
bonds (distance) P-C4' energy: -119.402
flat angles C4'-P-C4' energy: -122.373
flat angles P-C4'-P energy: -84.552
tors. eta vs tors. theta energy: -114.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -1170.453277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.453277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.453277 (E_RNA)
where:
Base-Base interactions energy: -761.029
where: short stacking energy: -326.208
Base-Backbone interact. energy: -1.039
local terms energy: -408.385583
where:
bonds (distance) C4'-P energy: -101.018
bonds (distance) P-C4' energy: -97.421
flat angles C4'-P-C4' energy: -98.665
flat angles P-C4'-P energy: -40.724
tors. eta vs tors. theta energy: -70.557
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: 195
Temperature: 1.250000
Total energy: -958.691684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.691684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.691684 (E_RNA)
where:
Base-Base interactions energy: -588.474
where: short stacking energy: -288.514
Base-Backbone interact. energy: -4.465
local terms energy: -365.752488
where:
bonds (distance) C4'-P energy: -70.170
bonds (distance) P-C4' energy: -86.387
flat angles C4'-P-C4' energy: -103.495
flat angles P-C4'-P energy: -60.267
tors. eta vs tors. theta energy: -45.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -709.952210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.952210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.952210 (E_RNA)
where:
Base-Base interactions energy: -366.716
where: short stacking energy: -191.664
Base-Backbone interact. energy: 5.657
local terms energy: -348.893257
where:
bonds (distance) C4'-P energy: -90.424
bonds (distance) P-C4' energy: -112.353
flat angles C4'-P-C4' energy: -74.846
flat angles P-C4'-P energy: -54.041
tors. eta vs tors. theta energy: -17.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -543.766926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.766926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.766926 (E_RNA)
where:
Base-Base interactions energy: -232.515
where: short stacking energy: -128.778
Base-Backbone interact. energy: -2.362
local terms energy: -308.889793
where:
bonds (distance) C4'-P energy: -79.553
bonds (distance) P-C4' energy: -114.423
flat angles C4'-P-C4' energy: -80.209
flat angles P-C4'-P energy: -57.156
tors. eta vs tors. theta energy: 22.451
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: 1, replica: 8
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -2052.808260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.808260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.808260 (E_RNA)
where:
Base-Base interactions energy: -1414.838
where: short stacking energy: -609.769
Base-Backbone interact. energy: -1.467
local terms energy: -636.502850
where:
bonds (distance) C4'-P energy: -108.228
bonds (distance) P-C4' energy: -125.992
flat angles C4'-P-C4' energy: -127.317
flat angles P-C4'-P energy: -92.511
tors. eta vs tors. theta energy: -182.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1986.201165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.201165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.201165 (E_RNA)
where:
Base-Base interactions energy: -1357.979
where: short stacking energy: -576.196
Base-Backbone interact. energy: -5.171
local terms energy: -623.050896
where:
bonds (distance) C4'-P energy: -114.617
bonds (distance) P-C4' energy: -129.436
flat angles C4'-P-C4' energy: -128.891
flat angles P-C4'-P energy: -78.451
tors. eta vs tors. theta energy: -171.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -1908.135570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.135570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.135570 (E_RNA)
where:
Base-Base interactions energy: -1333.724
where: short stacking energy: -541.692
Base-Backbone interact. energy: 3.015
local terms energy: -577.425811
where:
bonds (distance) C4'-P energy: -104.197
bonds (distance) P-C4' energy: -100.502
flat angles C4'-P-C4' energy: -132.519
flat angles P-C4'-P energy: -84.729
tors. eta vs tors. theta energy: -155.479
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: 7
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1780.040487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.040487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.040487 (E_RNA)
where:
Base-Base interactions energy: -1217.932
where: short stacking energy: -494.024
Base-Backbone interact. energy: -0.785
local terms energy: -561.323311
where:
bonds (distance) C4'-P energy: -100.958
bonds (distance) P-C4' energy: -115.043
flat angles C4'-P-C4' energy: -124.127
flat angles P-C4'-P energy: -84.714
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: 5, replica: 1
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1631.967779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.967779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.967779 (E_RNA)
where:
Base-Base interactions energy: -1094.493
where: short stacking energy: -489.247
Base-Backbone interact. energy: 1.619
local terms energy: -539.094238
where:
bonds (distance) C4'-P energy: -105.743
bonds (distance) P-C4' energy: -100.900
flat angles C4'-P-C4' energy: -120.644
flat angles P-C4'-P energy: -68.040
tors. eta vs tors. theta energy: -143.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -1463.404249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.404249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.404249 (E_RNA)
where:
Base-Base interactions energy: -990.340
where: short stacking energy: -448.722
Base-Backbone interact. energy: -2.912
local terms energy: -470.152162
where:
bonds (distance) C4'-P energy: -69.096
bonds (distance) P-C4' energy: -113.838
flat angles C4'-P-C4' energy: -109.629
flat angles P-C4'-P energy: -66.864
tors. eta vs tors. theta energy: -110.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1150.481356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.481356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.481356 (E_RNA)
where:
Base-Base interactions energy: -715.507
where: short stacking energy: -337.895
Base-Backbone interact. energy: -1.210
local terms energy: -433.764128
where:
bonds (distance) C4'-P energy: -94.344
bonds (distance) P-C4' energy: -108.935
flat angles C4'-P-C4' energy: -98.859
flat angles P-C4'-P energy: -61.648
tors. eta vs tors. theta energy: -69.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -926.155129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.155129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.155129 (E_RNA)
where:
Base-Base interactions energy: -555.854
where: short stacking energy: -240.271
Base-Backbone interact. energy: -2.842
local terms energy: -367.458877
where:
bonds (distance) C4'-P energy: -99.607
bonds (distance) P-C4' energy: -94.395
flat angles C4'-P-C4' energy: -80.039
flat angles P-C4'-P energy: -51.939
tors. eta vs tors. theta energy: -41.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -728.684671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.684671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.684671 (E_RNA)
where:
Base-Base interactions energy: -371.059
where: short stacking energy: -213.435
Base-Backbone interact. energy: -0.082
local terms energy: -357.543847
where:
bonds (distance) C4'-P energy: -94.472
bonds (distance) P-C4' energy: -106.340
flat angles C4'-P-C4' energy: -93.731
flat angles P-C4'-P energy: -46.414
tors. eta vs tors. theta energy: -16.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -564.006069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.006069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.006069 (E_RNA)
where:
Base-Base interactions energy: -286.962
where: short stacking energy: -174.321
Base-Backbone interact. energy: 2.707
local terms energy: -279.751742
where:
bonds (distance) C4'-P energy: -93.120
bonds (distance) P-C4' energy: -87.977
flat angles C4'-P-C4' energy: -75.817
flat angles P-C4'-P energy: -51.729
tors. eta vs tors. theta energy: 28.891
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: 8
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -2041.575560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.575560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.575560 (E_RNA)
where:
Base-Base interactions energy: -1407.587
where: short stacking energy: -580.050
Base-Backbone interact. energy: -0.375
local terms energy: -633.613995
where:
bonds (distance) C4'-P energy: -113.199
bonds (distance) P-C4' energy: -118.339
flat angles C4'-P-C4' energy: -126.661
flat angles P-C4'-P energy: -95.350
tors. eta vs tors. theta energy: -180.065
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: 9
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1980.369911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.369911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.369911 (E_RNA)
where:
Base-Base interactions energy: -1373.983
where: short stacking energy: -562.438
Base-Backbone interact. energy: -2.731
local terms energy: -603.655613
where:
bonds (distance) C4'-P energy: -111.188
bonds (distance) P-C4' energy: -121.901
flat angles C4'-P-C4' energy: -124.720
flat angles P-C4'-P energy: -81.296
tors. eta vs tors. theta energy: -164.550
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: 197
Temperature: 1.000000
Total energy: -1921.995784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.995784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.995784 (E_RNA)
where:
Base-Base interactions energy: -1324.850
where: short stacking energy: -543.273
Base-Backbone interact. energy: -2.753
local terms energy: -594.392867
where:
bonds (distance) C4'-P energy: -101.426
bonds (distance) P-C4' energy: -113.726
flat angles C4'-P-C4' energy: -138.909
flat angles P-C4'-P energy: -86.215
tors. eta vs tors. theta energy: -154.117
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: 7
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1792.725678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.725678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.725678 (E_RNA)
where:
Base-Base interactions energy: -1225.143
where: short stacking energy: -513.634
Base-Backbone interact. energy: 0.964
local terms energy: -568.546388
where:
bonds (distance) C4'-P energy: -95.918
bonds (distance) P-C4' energy: -111.981
flat angles C4'-P-C4' energy: -131.171
flat angles P-C4'-P energy: -73.717
tors. eta vs tors. theta energy: -155.759
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: 1
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -1676.241168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.241168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.241168 (E_RNA)
where:
Base-Base interactions energy: -1106.617
where: short stacking energy: -497.455
Base-Backbone interact. energy: -1.680
local terms energy: -567.943827
where:
bonds (distance) C4'-P energy: -115.809
bonds (distance) P-C4' energy: -118.774
flat angles C4'-P-C4' energy: -108.787
flat angles P-C4'-P energy: -81.940
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: 6, replica: 10
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -1507.465028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.465028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.465028 (E_RNA)
where:
Base-Base interactions energy: -1028.547
where: short stacking energy: -444.887
Base-Backbone interact. energy: 6.401
local terms energy: -485.318764
where:
bonds (distance) C4'-P energy: -89.705
bonds (distance) P-C4' energy: -102.609
flat angles C4'-P-C4' energy: -102.978
flat angles P-C4'-P energy: -74.306
tors. eta vs tors. theta energy: -115.721
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: 7, replica: 3
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1171.547200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.547200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.547200 (E_RNA)
where:
Base-Base interactions energy: -756.541
where: short stacking energy: -350.189
Base-Backbone interact. energy: -3.156
local terms energy: -411.850431
where:
bonds (distance) C4'-P energy: -95.525
bonds (distance) P-C4' energy: -72.841
flat angles C4'-P-C4' energy: -104.963
flat angles P-C4'-P energy: -62.013
tors. eta vs tors. theta energy: -76.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -1025.874061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.874061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.874061 (E_RNA)
where:
Base-Base interactions energy: -635.896
where: short stacking energy: -303.206
Base-Backbone interact. energy: 1.255
local terms energy: -391.233347
where:
bonds (distance) C4'-P energy: -100.160
bonds (distance) P-C4' energy: -97.833
flat angles C4'-P-C4' energy: -97.418
flat angles P-C4'-P energy: -59.660
tors. eta vs tors. theta energy: -36.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -688.340999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.340999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.340999 (E_RNA)
where:
Base-Base interactions energy: -327.609
where: short stacking energy: -164.290
Base-Backbone interact. energy: -1.635
local terms energy: -359.096721
where:
bonds (distance) C4'-P energy: -109.294
bonds (distance) P-C4' energy: -86.967
flat angles C4'-P-C4' energy: -92.219
flat angles P-C4'-P energy: -59.774
tors. eta vs tors. theta energy: -10.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -580.013944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.013944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.013944 (E_RNA)
where:
Base-Base interactions energy: -260.628
where: short stacking energy: -145.431
Base-Backbone interact. energy: 2.063
local terms energy: -321.449543
where:
bonds (distance) C4'-P energy: -90.911
bonds (distance) P-C4' energy: -105.725
flat angles C4'-P-C4' energy: -92.481
flat angles P-C4'-P energy: -41.405
tors. eta vs tors. theta energy: 9.073
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: 8
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -2066.902376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.902376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.902376 (E_RNA)
where:
Base-Base interactions energy: -1395.709
where: short stacking energy: -605.998
Base-Backbone interact. energy: -3.818
local terms energy: -667.375241
where:
bonds (distance) C4'-P energy: -130.375
bonds (distance) P-C4' energy: -117.362
flat angles C4'-P-C4' energy: -134.069
flat angles P-C4'-P energy: -92.801
tors. eta vs tors. theta energy: -192.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1954.807514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.807514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.807514 (E_RNA)
where:
Base-Base interactions energy: -1358.634
where: short stacking energy: -552.451
Base-Backbone interact. energy: -4.032
local terms energy: -592.142052
where:
bonds (distance) C4'-P energy: -107.874
bonds (distance) P-C4' energy: -120.876
flat angles C4'-P-C4' energy: -117.102
flat angles P-C4'-P energy: -89.171
tors. eta vs tors. theta energy: -157.119
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: 4
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1955.123308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.123308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.123308 (E_RNA)
where:
Base-Base interactions energy: -1378.124
where: short stacking energy: -577.882
Base-Backbone interact. energy: -1.787
local terms energy: -575.212529
where:
bonds (distance) C4'-P energy: -104.178
bonds (distance) P-C4' energy: -106.303
flat angles C4'-P-C4' energy: -122.914
flat angles P-C4'-P energy: -84.201
tors. eta vs tors. theta energy: -157.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1792.844580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.844580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.844580 (E_RNA)
where:
Base-Base interactions energy: -1194.507
where: short stacking energy: -501.568
Base-Backbone interact. energy: -3.127
local terms energy: -595.210028
where:
bonds (distance) C4'-P energy: -109.772
bonds (distance) P-C4' energy: -109.622
flat angles C4'-P-C4' energy: -116.146
flat angles P-C4'-P energy: -95.912
tors. eta vs tors. theta energy: -163.759
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: 1
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -1620.186677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.186677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.186677 (E_RNA)
where:
Base-Base interactions energy: -1114.887
where: short stacking energy: -485.102
Base-Backbone interact. energy: -3.406
local terms energy: -501.893996
where:
bonds (distance) C4'-P energy: -80.200
bonds (distance) P-C4' energy: -101.244
flat angles C4'-P-C4' energy: -120.132
flat angles P-C4'-P energy: -64.796
tors. eta vs tors. theta energy: -135.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -1460.421496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.421496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.421496 (E_RNA)
where:
Base-Base interactions energy: -961.388
where: short stacking energy: -421.494
Base-Backbone interact. energy: -1.927
local terms energy: -497.106672
where:
bonds (distance) C4'-P energy: -103.760
bonds (distance) P-C4' energy: -109.923
flat angles C4'-P-C4' energy: -115.141
flat angles P-C4'-P energy: -61.008
tors. eta vs tors. theta energy: -107.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1154.136391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.136391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.136391 (E_RNA)
where:
Base-Base interactions energy: -714.565
where: short stacking energy: -353.988
Base-Backbone interact. energy: -1.512
local terms energy: -438.059748
where:
bonds (distance) C4'-P energy: -89.533
bonds (distance) P-C4' energy: -92.857
flat angles C4'-P-C4' energy: -110.312
flat angles P-C4'-P energy: -69.142
tors. eta vs tors. theta energy: -76.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -982.283239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.283239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.283239 (E_RNA)
where:
Base-Base interactions energy: -574.544
where: short stacking energy: -267.959
Base-Backbone interact. energy: 1.550
local terms energy: -409.289637
where:
bonds (distance) C4'-P energy: -89.628
bonds (distance) P-C4' energy: -103.864
flat angles C4'-P-C4' energy: -118.717
flat angles P-C4'-P energy: -58.049
tors. eta vs tors. theta energy: -39.031
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: 2
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -728.812168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.812168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.812168 (E_RNA)
where:
Base-Base interactions energy: -360.991
where: short stacking energy: -179.191
Base-Backbone interact. energy: -1.761
local terms energy: -366.059896
where:
bonds (distance) C4'-P energy: -104.118
bonds (distance) P-C4' energy: -109.405
flat angles C4'-P-C4' energy: -91.003
flat angles P-C4'-P energy: -48.861
tors. eta vs tors. theta energy: -12.673
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: 6
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -576.422559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.422559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.422559 (E_RNA)
where:
Base-Base interactions energy: -275.285
where: short stacking energy: -173.052
Base-Backbone interact. energy: 1.144
local terms energy: -302.281865
where:
bonds (distance) C4'-P energy: -102.017
bonds (distance) P-C4' energy: -83.313
flat angles C4'-P-C4' energy: -69.369
flat angles P-C4'-P energy: -45.686
tors. eta vs tors. theta energy: -1.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -2073.854529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.854529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.854529 (E_RNA)
where:
Base-Base interactions energy: -1413.474
where: short stacking energy: -620.194
Base-Backbone interact. energy: 0.775
local terms energy: -661.155996
where:
bonds (distance) C4'-P energy: -113.204
bonds (distance) P-C4' energy: -123.890
flat angles C4'-P-C4' energy: -135.063
flat angles P-C4'-P energy: -96.177
tors. eta vs tors. theta energy: -192.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1985.188474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.188474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.188474 (E_RNA)
where:
Base-Base interactions energy: -1385.731
where: short stacking energy: -560.820
Base-Backbone interact. energy: -0.810
local terms energy: -598.647524
where:
bonds (distance) C4'-P energy: -110.203
bonds (distance) P-C4' energy: -124.311
flat angles C4'-P-C4' energy: -125.670
flat angles P-C4'-P energy: -77.058
tors. eta vs tors. theta energy: -161.407
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: 9
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1911.834284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.834284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.834284 (E_RNA)
where:
Base-Base interactions energy: -1327.806
where: short stacking energy: -544.663
Base-Backbone interact. energy: -1.154
local terms energy: -582.874819
where:
bonds (distance) C4'-P energy: -109.049
bonds (distance) P-C4' energy: -97.791
flat angles C4'-P-C4' energy: -118.006
flat angles P-C4'-P energy: -87.956
tors. eta vs tors. theta energy: -170.072
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: 4, replica: 7
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1753.212171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.212171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.212171 (E_RNA)
where:
Base-Base interactions energy: -1196.355
where: short stacking energy: -512.886
Base-Backbone interact. energy: -2.585
local terms energy: -554.272883
where:
bonds (distance) C4'-P energy: -107.425
bonds (distance) P-C4' energy: -113.557
flat angles C4'-P-C4' energy: -99.454
flat angles P-C4'-P energy: -81.025
tors. eta vs tors. theta energy: -152.813
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: 5, replica: 1
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -1640.550445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.550445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.550445 (E_RNA)
where:
Base-Base interactions energy: -1119.120
where: short stacking energy: -507.235
Base-Backbone interact. energy: 7.853
local terms energy: -529.283026
where:
bonds (distance) C4'-P energy: -86.859
bonds (distance) P-C4' energy: -112.348
flat angles C4'-P-C4' energy: -111.351
flat angles P-C4'-P energy: -75.777
tors. eta vs tors. theta energy: -142.948
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: 10
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1544.643092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.643092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.643092 (E_RNA)
where:
Base-Base interactions energy: -1025.622
where: short stacking energy: -448.879
Base-Backbone interact. energy: -1.125
local terms energy: -517.895739
where:
bonds (distance) C4'-P energy: -94.096
bonds (distance) P-C4' energy: -121.061
flat angles C4'-P-C4' energy: -114.511
flat angles P-C4'-P energy: -62.574
tors. eta vs tors. theta energy: -125.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -1146.896209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.896209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.896209 (E_RNA)
where:
Base-Base interactions energy: -708.435
where: short stacking energy: -320.951
Base-Backbone interact. energy: -1.785
local terms energy: -436.676439
where:
bonds (distance) C4'-P energy: -100.090
bonds (distance) P-C4' energy: -113.341
flat angles C4'-P-C4' energy: -95.653
flat angles P-C4'-P energy: -58.002
tors. eta vs tors. theta energy: -69.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -967.739192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.739192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.739192 (E_RNA)
where:
Base-Base interactions energy: -550.145
where: short stacking energy: -265.386
Base-Backbone interact. energy: 1.566
local terms energy: -419.160522
where:
bonds (distance) C4'-P energy: -94.566
bonds (distance) P-C4' energy: -111.222
flat angles C4'-P-C4' energy: -113.325
flat angles P-C4'-P energy: -62.776
tors. eta vs tors. theta energy: -37.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -747.756330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.756330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.756330 (E_RNA)
where:
Base-Base interactions energy: -386.108
where: short stacking energy: -200.621
Base-Backbone interact. energy: -1.468
local terms energy: -360.180812
where:
bonds (distance) C4'-P energy: -103.962
bonds (distance) P-C4' energy: -99.757
flat angles C4'-P-C4' energy: -87.952
flat angles P-C4'-P energy: -50.950
tors. eta vs tors. theta energy: -17.560
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: 6
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -555.342995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.342995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.342995 (E_RNA)
where:
Base-Base interactions energy: -252.246
where: short stacking energy: -166.340
Base-Backbone interact. energy: 2.582
local terms energy: -305.678130
where:
bonds (distance) C4'-P energy: -97.892
bonds (distance) P-C4' energy: -84.345
flat angles C4'-P-C4' energy: -77.298
flat angles P-C4'-P energy: -45.404
tors. eta vs tors. theta energy: -0.738
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: 8
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -2065.230330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.230330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.230330 (E_RNA)
where:
Base-Base interactions energy: -1423.482
where: short stacking energy: -630.229
Base-Backbone interact. energy: 3.708
local terms energy: -645.456087
where:
bonds (distance) C4'-P energy: -121.055
bonds (distance) P-C4' energy: -117.024
flat angles C4'-P-C4' energy: -136.906
flat angles P-C4'-P energy: -84.139
tors. eta vs tors. theta energy: -186.332
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: 200
Temperature: 0.950000
Total energy: -1988.613110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.613110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.613110 (E_RNA)
where:
Base-Base interactions energy: -1351.149
where: short stacking energy: -544.973
Base-Backbone interact. energy: -4.942
local terms energy: -632.522734
where:
bonds (distance) C4'-P energy: -120.025
bonds (distance) P-C4' energy: -119.507
flat angles C4'-P-C4' energy: -129.205
flat angles P-C4'-P energy: -95.879
tors. eta vs tors. theta energy: -167.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1902.436277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.436277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.436277 (E_RNA)
where:
Base-Base interactions energy: -1320.699
where: short stacking energy: -531.972
Base-Backbone interact. energy: -2.618
local terms energy: -579.118709
where:
bonds (distance) C4'-P energy: -104.077
bonds (distance) P-C4' energy: -103.355
flat angles C4'-P-C4' energy: -128.305
flat angles P-C4'-P energy: -80.087
tors. eta vs tors. theta energy: -163.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1759.000723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.000723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.000723 (E_RNA)
where:
Base-Base interactions energy: -1183.862
where: short stacking energy: -504.311
Base-Backbone interact. energy: -4.562
local terms energy: -570.576754
where:
bonds (distance) C4'-P energy: -106.261
bonds (distance) P-C4' energy: -120.489
flat angles C4'-P-C4' energy: -124.780
flat angles P-C4'-P energy: -65.255
tors. eta vs tors. theta energy: -153.791
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: 5, replica: 1
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1645.511863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.511863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.511863 (E_RNA)
where:
Base-Base interactions energy: -1097.720
where: short stacking energy: -484.383
Base-Backbone interact. energy: -4.208
local terms energy: -543.583945
where:
bonds (distance) C4'-P energy: -105.385
bonds (distance) P-C4' energy: -101.038
flat angles C4'-P-C4' energy: -126.322
flat angles P-C4'-P energy: -70.693
tors. eta vs tors. theta energy: -140.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -1508.533352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.533352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.533352 (E_RNA)
where:
Base-Base interactions energy: -977.722
where: short stacking energy: -438.060
Base-Backbone interact. energy: -3.375
local terms energy: -527.435522
where:
bonds (distance) C4'-P energy: -94.020
bonds (distance) P-C4' energy: -100.880
flat angles C4'-P-C4' energy: -125.458
flat angles P-C4'-P energy: -82.111
tors. eta vs tors. theta energy: -124.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1146.530760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.530760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.530760 (E_RNA)
where:
Base-Base interactions energy: -695.873
where: short stacking energy: -338.987
Base-Backbone interact. energy: -2.150
local terms energy: -448.507635
where:
bonds (distance) C4'-P energy: -102.622
bonds (distance) P-C4' energy: -111.323
flat angles C4'-P-C4' energy: -97.466
flat angles P-C4'-P energy: -65.458
tors. eta vs tors. theta energy: -71.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -933.947384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.947384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.947384 (E_RNA)
where:
Base-Base interactions energy: -558.796
where: short stacking energy: -271.393
Base-Backbone interact. energy: -0.068
local terms energy: -375.083930
where:
bonds (distance) C4'-P energy: -105.837
bonds (distance) P-C4' energy: -99.328
flat angles C4'-P-C4' energy: -84.610
flat angles P-C4'-P energy: -51.501
tors. eta vs tors. theta energy: -33.808
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: 2
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -814.366961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.366961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.366961 (E_RNA)
where:
Base-Base interactions energy: -422.605
where: short stacking energy: -211.794
Base-Backbone interact. energy: -1.552
local terms energy: -390.210675
where:
bonds (distance) C4'-P energy: -109.551
bonds (distance) P-C4' energy: -113.755
flat angles C4'-P-C4' energy: -80.809
flat angles P-C4'-P energy: -66.511
tors. eta vs tors. theta energy: -19.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -528.216361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.216361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.216361 (E_RNA)
where:
Base-Base interactions energy: -250.873
where: short stacking energy: -129.401
Base-Backbone interact. energy: 2.471
local terms energy: -279.814005
where:
bonds (distance) C4'-P energy: -79.945
bonds (distance) P-C4' energy: -94.731
flat angles C4'-P-C4' energy: -74.913
flat angles P-C4'-P energy: -49.854
tors. eta vs tors. theta energy: 19.629
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: 8
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -2055.345677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.345677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.345677 (E_RNA)
where:
Base-Base interactions energy: -1420.007
where: short stacking energy: -608.747
Base-Backbone interact. energy: 1.556
local terms energy: -636.894559
where:
bonds (distance) C4'-P energy: -108.142
bonds (distance) P-C4' energy: -118.622
flat angles C4'-P-C4' energy: -137.371
flat angles P-C4'-P energy: -84.919
tors. eta vs tors. theta energy: -187.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1980.449981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.449981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.449981 (E_RNA)
where:
Base-Base interactions energy: -1371.309
where: short stacking energy: -552.695
Base-Backbone interact. energy: 7.477
local terms energy: -616.617703
where:
bonds (distance) C4'-P energy: -112.671
bonds (distance) P-C4' energy: -121.661
flat angles C4'-P-C4' energy: -135.085
flat angles P-C4'-P energy: -81.616
tors. eta vs tors. theta energy: -165.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1860.181891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.181891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.181891 (E_RNA)
where:
Base-Base interactions energy: -1264.537
where: short stacking energy: -511.448
Base-Backbone interact. energy: -3.094
local terms energy: -592.550653
where:
bonds (distance) C4'-P energy: -97.634
bonds (distance) P-C4' energy: -112.530
flat angles C4'-P-C4' energy: -123.600
flat angles P-C4'-P energy: -101.194
tors. eta vs tors. theta energy: -157.593
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: 7
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1775.601102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.601102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.601102 (E_RNA)
where:
Base-Base interactions energy: -1203.761
where: short stacking energy: -480.170
Base-Backbone interact. energy: -1.320
local terms energy: -570.520173
where:
bonds (distance) C4'-P energy: -126.120
bonds (distance) P-C4' energy: -109.538
flat angles C4'-P-C4' energy: -120.995
flat angles P-C4'-P energy: -76.414
tors. eta vs tors. theta energy: -137.453
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: 1
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1673.405596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.405596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.405596 (E_RNA)
where:
Base-Base interactions energy: -1139.579
where: short stacking energy: -481.046
Base-Backbone interact. energy: -0.943
local terms energy: -532.883482
where:
bonds (distance) C4'-P energy: -100.204
bonds (distance) P-C4' energy: -97.883
flat angles C4'-P-C4' energy: -119.608
flat angles P-C4'-P energy: -69.524
tors. eta vs tors. theta energy: -145.665
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: 10
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -1508.824909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.824909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.824909 (E_RNA)
where:
Base-Base interactions energy: -1006.390
where: short stacking energy: -458.327
Base-Backbone interact. energy: -0.871
local terms energy: -501.564108
where:
bonds (distance) C4'-P energy: -99.621
bonds (distance) P-C4' energy: -109.435
flat angles C4'-P-C4' energy: -106.697
flat angles P-C4'-P energy: -64.761
tors. eta vs tors. theta energy: -121.049
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: 3
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1142.200819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.200819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.200819 (E_RNA)
where:
Base-Base interactions energy: -704.185
where: short stacking energy: -335.683
Base-Backbone interact. energy: -4.026
local terms energy: -433.989927
where:
bonds (distance) C4'-P energy: -104.645
bonds (distance) P-C4' energy: -97.707
flat angles C4'-P-C4' energy: -104.888
flat angles P-C4'-P energy: -64.725
tors. eta vs tors. theta energy: -62.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -897.803763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.803763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.803763 (E_RNA)
where:
Base-Base interactions energy: -513.725
where: short stacking energy: -277.030
Base-Backbone interact. energy: -0.756
local terms energy: -383.322658
where:
bonds (distance) C4'-P energy: -82.708
bonds (distance) P-C4' energy: -108.073
flat angles C4'-P-C4' energy: -88.930
flat angles P-C4'-P energy: -66.003
tors. eta vs tors. theta energy: -37.608
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: 9, replica: 5
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -902.724746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.724746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.724746 (E_RNA)
where:
Base-Base interactions energy: -503.998
where: short stacking energy: -241.710
Base-Backbone interact. energy: -1.066
local terms energy: -397.660546
where:
bonds (distance) C4'-P energy: -88.608
bonds (distance) P-C4' energy: -99.059
flat angles C4'-P-C4' energy: -107.839
flat angles P-C4'-P energy: -70.083
tors. eta vs tors. theta energy: -32.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -547.453712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.453712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.453712 (E_RNA)
where:
Base-Base interactions energy: -236.408
where: short stacking energy: -152.702
Base-Backbone interact. energy: 1.836
local terms energy: -312.881878
where:
bonds (distance) C4'-P energy: -107.969
bonds (distance) P-C4' energy: -92.729
flat angles C4'-P-C4' energy: -97.526
flat angles P-C4'-P energy: -45.925
tors. eta vs tors. theta energy: 31.268
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: 1, replica: 8
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -2082.058013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.058013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.058013 (E_RNA)
where:
Base-Base interactions energy: -1443.851
where: short stacking energy: -627.464
Base-Backbone interact. energy: -1.593
local terms energy: -636.614475
where:
bonds (distance) C4'-P energy: -117.803
bonds (distance) P-C4' energy: -127.984
flat angles C4'-P-C4' energy: -130.633
flat angles P-C4'-P energy: -75.131
tors. eta vs tors. theta energy: -185.063
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: 4
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1983.156984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.156984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.156984 (E_RNA)
where:
Base-Base interactions energy: -1362.783
where: short stacking energy: -546.582
Base-Backbone interact. energy: 0.626
local terms energy: -620.999583
where:
bonds (distance) C4'-P energy: -118.301
bonds (distance) P-C4' energy: -115.001
flat angles C4'-P-C4' energy: -131.463
flat angles P-C4'-P energy: -90.971
tors. eta vs tors. theta energy: -165.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1880.044628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.044628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.044628 (E_RNA)
where:
Base-Base interactions energy: -1273.845
where: short stacking energy: -531.889
Base-Backbone interact. energy: 1.775
local terms energy: -607.974647
where:
bonds (distance) C4'-P energy: -121.825
bonds (distance) P-C4' energy: -120.024
flat angles C4'-P-C4' energy: -129.021
flat angles P-C4'-P energy: -82.484
tors. eta vs tors. theta energy: -154.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1808.725377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.725377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.725377 (E_RNA)
where:
Base-Base interactions energy: -1249.048
where: short stacking energy: -505.411
Base-Backbone interact. energy: -1.684
local terms energy: -557.993472
where:
bonds (distance) C4'-P energy: -104.862
bonds (distance) P-C4' energy: -117.845
flat angles C4'-P-C4' energy: -111.682
flat angles P-C4'-P energy: -77.535
tors. eta vs tors. theta energy: -146.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1666.972091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.972091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.972091 (E_RNA)
where:
Base-Base interactions energy: -1099.864
where: short stacking energy: -472.854
Base-Backbone interact. energy: -2.561
local terms energy: -564.546705
where:
bonds (distance) C4'-P energy: -110.519
bonds (distance) P-C4' energy: -104.626
flat angles C4'-P-C4' energy: -119.434
flat angles P-C4'-P energy: -81.916
tors. eta vs tors. theta energy: -148.051
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: 10
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1532.909198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.909198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.909198 (E_RNA)
where:
Base-Base interactions energy: -1044.822
where: short stacking energy: -443.349
Base-Backbone interact. energy: 2.292
local terms energy: -490.378614
where:
bonds (distance) C4'-P energy: -90.211
bonds (distance) P-C4' energy: -113.904
flat angles C4'-P-C4' energy: -100.850
flat angles P-C4'-P energy: -74.755
tors. eta vs tors. theta energy: -110.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -1110.382753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.382753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.382753 (E_RNA)
where:
Base-Base interactions energy: -667.479
where: short stacking energy: -325.704
Base-Backbone interact. energy: -1.973
local terms energy: -440.930358
where:
bonds (distance) C4'-P energy: -93.290
bonds (distance) P-C4' energy: -101.289
flat angles C4'-P-C4' energy: -112.660
flat angles P-C4'-P energy: -59.155
tors. eta vs tors. theta energy: -74.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -873.973374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.973374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.973374 (E_RNA)
where:
Base-Base interactions energy: -499.925
where: short stacking energy: -270.630
Base-Backbone interact. energy: 7.714
local terms energy: -381.761856
where:
bonds (distance) C4'-P energy: -91.235
bonds (distance) P-C4' energy: -90.644
flat angles C4'-P-C4' energy: -84.609
flat angles P-C4'-P energy: -62.560
tors. eta vs tors. theta energy: -52.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -699.423700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.423700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.423700 (E_RNA)
where:
Base-Base interactions energy: -368.997
where: short stacking energy: -217.200
Base-Backbone interact. energy: 1.502
local terms energy: -331.928799
where:
bonds (distance) C4'-P energy: -88.712
bonds (distance) P-C4' energy: -89.380
flat angles C4'-P-C4' energy: -72.860
flat angles P-C4'-P energy: -57.635
tors. eta vs tors. theta energy: -23.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -568.639122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.639122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.639122 (E_RNA)
where:
Base-Base interactions energy: -265.686
where: short stacking energy: -156.192
Base-Backbone interact. energy: -1.716
local terms energy: -301.237138
where:
bonds (distance) C4'-P energy: -87.240
bonds (distance) P-C4' energy: -112.122
flat angles C4'-P-C4' energy: -89.043
flat angles P-C4'-P energy: -42.631
tors. eta vs tors. theta energy: 29.798
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: 8
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -2086.799102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.799102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.799102 (E_RNA)
where:
Base-Base interactions energy: -1431.564
where: short stacking energy: -616.323
Base-Backbone interact. energy: -2.318
local terms energy: -652.917282
where:
bonds (distance) C4'-P energy: -110.484
bonds (distance) P-C4' energy: -115.786
flat angles C4'-P-C4' energy: -141.883
flat angles P-C4'-P energy: -96.444
tors. eta vs tors. theta energy: -188.320
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: 4
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1967.440242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.440242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.440242 (E_RNA)
where:
Base-Base interactions energy: -1349.194
where: short stacking energy: -552.123
Base-Backbone interact. energy: 0.232
local terms energy: -618.477838
where:
bonds (distance) C4'-P energy: -113.325
bonds (distance) P-C4' energy: -125.300
flat angles C4'-P-C4' energy: -121.886
flat angles P-C4'-P energy: -94.673
tors. eta vs tors. theta energy: -163.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1887.215257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.215257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.215257 (E_RNA)
where:
Base-Base interactions energy: -1313.934
where: short stacking energy: -535.470
Base-Backbone interact. energy: -1.022
local terms energy: -572.258847
where:
bonds (distance) C4'-P energy: -92.410
bonds (distance) P-C4' energy: -116.279
flat angles C4'-P-C4' energy: -130.531
flat angles P-C4'-P energy: -87.108
tors. eta vs tors. theta energy: -145.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -1837.970345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.970345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.970345 (E_RNA)
where:
Base-Base interactions energy: -1254.858
where: short stacking energy: -534.976
Base-Backbone interact. energy: -1.167
local terms energy: -581.945839
where:
bonds (distance) C4'-P energy: -107.549
bonds (distance) P-C4' energy: -111.230
flat angles C4'-P-C4' energy: -128.218
flat angles P-C4'-P energy: -86.091
tors. eta vs tors. theta energy: -148.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1643.263920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.263920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.263920 (E_RNA)
where:
Base-Base interactions energy: -1069.449
where: short stacking energy: -490.334
Base-Backbone interact. energy: -0.222
local terms energy: -573.593316
where:
bonds (distance) C4'-P energy: -118.737
bonds (distance) P-C4' energy: -110.889
flat angles C4'-P-C4' energy: -125.342
flat angles P-C4'-P energy: -77.797
tors. eta vs tors. theta energy: -140.828
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: 10
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -1545.222442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.222442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.222442 (E_RNA)
where:
Base-Base interactions energy: -1027.134
where: short stacking energy: -436.765
Base-Backbone interact. energy: -1.283
local terms energy: -516.805696
where:
bonds (distance) C4'-P energy: -96.256
bonds (distance) P-C4' energy: -103.903
flat angles C4'-P-C4' energy: -115.003
flat angles P-C4'-P energy: -78.358
tors. eta vs tors. theta energy: -123.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -1122.947162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.947162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.947162 (E_RNA)
where:
Base-Base interactions energy: -671.374
where: short stacking energy: -319.976
Base-Backbone interact. energy: -0.577
local terms energy: -450.996475
where:
bonds (distance) C4'-P energy: -92.055
bonds (distance) P-C4' energy: -105.990
flat angles C4'-P-C4' energy: -118.576
flat angles P-C4'-P energy: -62.476
tors. eta vs tors. theta energy: -71.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -878.986050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.986050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.986050 (E_RNA)
where:
Base-Base interactions energy: -475.320
where: short stacking energy: -235.838
Base-Backbone interact. energy: 1.103
local terms energy: -404.769919
where:
bonds (distance) C4'-P energy: -98.135
bonds (distance) P-C4' energy: -98.668
flat angles C4'-P-C4' energy: -98.666
flat angles P-C4'-P energy: -76.276
tors. eta vs tors. theta energy: -33.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -751.957702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.957702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.957702 (E_RNA)
where:
Base-Base interactions energy: -419.934
where: short stacking energy: -222.608
Base-Backbone interact. energy: -0.292
local terms energy: -331.731621
where:
bonds (distance) C4'-P energy: -92.311
bonds (distance) P-C4' energy: -110.240
flat angles C4'-P-C4' energy: -92.138
flat angles P-C4'-P energy: -28.623
tors. eta vs tors. theta energy: -8.420
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: 10, replica: 6
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -588.578121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.578121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.578121 (E_RNA)
where:
Base-Base interactions energy: -309.365
where: short stacking energy: -207.942
Base-Backbone interact. energy: 0.376
local terms energy: -279.588543
where:
bonds (distance) C4'-P energy: -75.662
bonds (distance) P-C4' energy: -93.197
flat angles C4'-P-C4' energy: -76.969
flat angles P-C4'-P energy: -37.255
tors. eta vs tors. theta energy: 3.495
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: 1, replica: 8
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -2095.328205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.328205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.328205 (E_RNA)
where:
Base-Base interactions energy: -1431.805
where: short stacking energy: -618.937
Base-Backbone interact. energy: -2.997
local terms energy: -660.526097
where:
bonds (distance) C4'-P energy: -120.304
bonds (distance) P-C4' energy: -123.337
flat angles C4'-P-C4' energy: -143.941
flat angles P-C4'-P energy: -82.965
tors. eta vs tors. theta energy: -189.979
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: 4
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1954.082775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.082775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.082775 (E_RNA)
where:
Base-Base interactions energy: -1348.786
where: short stacking energy: -560.120
Base-Backbone interact. energy: -1.609
local terms energy: -603.687769
where:
bonds (distance) C4'-P energy: -112.257
bonds (distance) P-C4' energy: -114.478
flat angles C4'-P-C4' energy: -126.664
flat angles P-C4'-P energy: -81.440
tors. eta vs tors. theta energy: -168.849
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: 3, replica: 9
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1912.211942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.211942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.211942 (E_RNA)
where:
Base-Base interactions energy: -1334.843
where: short stacking energy: -540.931
Base-Backbone interact. energy: -2.005
local terms energy: -575.363829
where:
bonds (distance) C4'-P energy: -100.593
bonds (distance) P-C4' energy: -113.440
flat angles C4'-P-C4' energy: -123.572
flat angles P-C4'-P energy: -87.870
tors. eta vs tors. theta energy: -149.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1803.242554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.242554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.242554 (E_RNA)
where:
Base-Base interactions energy: -1238.008
where: short stacking energy: -535.999
Base-Backbone interact. energy: -2.102
local terms energy: -563.132092
where:
bonds (distance) C4'-P energy: -101.674
bonds (distance) P-C4' energy: -97.787
flat angles C4'-P-C4' energy: -119.666
flat angles P-C4'-P energy: -83.221
tors. eta vs tors. theta energy: -160.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1622.720382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.720382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.720382 (E_RNA)
where:
Base-Base interactions energy: -1084.501
where: short stacking energy: -480.108
Base-Backbone interact. energy: -3.019
local terms energy: -535.200633
where:
bonds (distance) C4'-P energy: -104.446
bonds (distance) P-C4' energy: -119.438
flat angles C4'-P-C4' energy: -111.194
flat angles P-C4'-P energy: -68.298
tors. eta vs tors. theta energy: -131.825
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: 10
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -1545.543748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.543748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.543748 (E_RNA)
where:
Base-Base interactions energy: -1056.972
where: short stacking energy: -435.651
Base-Backbone interact. energy: 7.596
local terms energy: -496.167959
where:
bonds (distance) C4'-P energy: -95.073
bonds (distance) P-C4' energy: -99.758
flat angles C4'-P-C4' energy: -112.123
flat angles P-C4'-P energy: -77.129
tors. eta vs tors. theta energy: -112.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1183.726737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.726737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.726737 (E_RNA)
where:
Base-Base interactions energy: -725.045
where: short stacking energy: -357.018
Base-Backbone interact. energy: -1.090
local terms energy: -457.591684
where:
bonds (distance) C4'-P energy: -110.265
bonds (distance) P-C4' energy: -104.027
flat angles C4'-P-C4' energy: -91.341
flat angles P-C4'-P energy: -68.487
tors. eta vs tors. theta energy: -83.471
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: 2
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -868.130652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.130652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.130652 (E_RNA)
where:
Base-Base interactions energy: -461.041
where: short stacking energy: -247.305
Base-Backbone interact. energy: -0.698
local terms energy: -406.391141
where:
bonds (distance) C4'-P energy: -86.964
bonds (distance) P-C4' energy: -113.542
flat angles C4'-P-C4' energy: -112.903
flat angles P-C4'-P energy: -47.115
tors. eta vs tors. theta energy: -45.867
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: 9, replica: 5
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -754.968909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.968909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.968909 (E_RNA)
where:
Base-Base interactions energy: -406.514
where: short stacking energy: -221.558
Base-Backbone interact. energy: 2.336
local terms energy: -350.791015
where:
bonds (distance) C4'-P energy: -100.957
bonds (distance) P-C4' energy: -91.166
flat angles C4'-P-C4' energy: -93.516
flat angles P-C4'-P energy: -48.890
tors. eta vs tors. theta energy: -16.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -626.165273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.165273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.165273 (E_RNA)
where:
Base-Base interactions energy: -318.278
where: short stacking energy: -183.107
Base-Backbone interact. energy: 2.066
local terms energy: -309.953755
where:
bonds (distance) C4'-P energy: -88.084
bonds (distance) P-C4' energy: -80.869
flat angles C4'-P-C4' energy: -85.990
flat angles P-C4'-P energy: -53.333
tors. eta vs tors. theta energy: -1.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -2104.340038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.340038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.340038 (E_RNA)
where:
Base-Base interactions energy: -1457.116
where: short stacking energy: -622.245
Base-Backbone interact. energy: -0.325
local terms energy: -646.899449
where:
bonds (distance) C4'-P energy: -128.583
bonds (distance) P-C4' energy: -118.602
flat angles C4'-P-C4' energy: -127.895
flat angles P-C4'-P energy: -90.845
tors. eta vs tors. theta energy: -180.975
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: 4
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1973.832240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.832240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.832240 (E_RNA)
where:
Base-Base interactions energy: -1385.639
where: short stacking energy: -557.769
Base-Backbone interact. energy: 0.811
local terms energy: -589.004205
where:
bonds (distance) C4'-P energy: -98.965
bonds (distance) P-C4' energy: -117.116
flat angles C4'-P-C4' energy: -125.595
flat angles P-C4'-P energy: -81.670
tors. eta vs tors. theta energy: -165.658
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: 9
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1875.208156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.208156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.208156 (E_RNA)
where:
Base-Base interactions energy: -1306.513
where: short stacking energy: -522.156
Base-Backbone interact. energy: -1.378
local terms energy: -567.317162
where:
bonds (distance) C4'-P energy: -98.797
bonds (distance) P-C4' energy: -117.538
flat angles C4'-P-C4' energy: -128.798
flat angles P-C4'-P energy: -71.455
tors. eta vs tors. theta energy: -150.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1797.898502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.898502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.898502 (E_RNA)
where:
Base-Base interactions energy: -1241.251
where: short stacking energy: -491.102
Base-Backbone interact. energy: -0.506
local terms energy: -556.141639
where:
bonds (distance) C4'-P energy: -95.821
bonds (distance) P-C4' energy: -107.073
flat angles C4'-P-C4' energy: -118.406
flat angles P-C4'-P energy: -96.672
tors. eta vs tors. theta energy: -138.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1656.600684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.600684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.600684 (E_RNA)
where:
Base-Base interactions energy: -1129.015
where: short stacking energy: -455.513
Base-Backbone interact. energy: 1.405
local terms energy: -528.990018
where:
bonds (distance) C4'-P energy: -106.598
bonds (distance) P-C4' energy: -97.646
flat angles C4'-P-C4' energy: -112.089
flat angles P-C4'-P energy: -70.218
tors. eta vs tors. theta energy: -142.439
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: 10
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -1553.382628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.382628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.382628 (E_RNA)
where:
Base-Base interactions energy: -1059.068
where: short stacking energy: -439.257
Base-Backbone interact. energy: -1.574
local terms energy: -492.741265
where:
bonds (distance) C4'-P energy: -92.181
bonds (distance) P-C4' energy: -105.427
flat angles C4'-P-C4' energy: -118.053
flat angles P-C4'-P energy: -61.115
tors. eta vs tors. theta energy: -115.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -1147.023819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.023819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.023819 (E_RNA)
where:
Base-Base interactions energy: -704.155
where: short stacking energy: -305.615
Base-Backbone interact. energy: 1.023
local terms energy: -443.891897
where:
bonds (distance) C4'-P energy: -110.747
bonds (distance) P-C4' energy: -109.168
flat angles C4'-P-C4' energy: -89.261
flat angles P-C4'-P energy: -57.646
tors. eta vs tors. theta energy: -77.070
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: 8, replica: 2
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -905.645023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.645023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.645023 (E_RNA)
where:
Base-Base interactions energy: -492.961
where: short stacking energy: -237.358
Base-Backbone interact. energy: -1.559
local terms energy: -411.124298
where:
bonds (distance) C4'-P energy: -89.624
bonds (distance) P-C4' energy: -112.223
flat angles C4'-P-C4' energy: -104.702
flat angles P-C4'-P energy: -68.144
tors. eta vs tors. theta energy: -36.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -820.790145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.790145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.790145 (E_RNA)
where:
Base-Base interactions energy: -458.056
where: short stacking energy: -219.900
Base-Backbone interact. energy: -1.723
local terms energy: -361.011222
where:
bonds (distance) C4'-P energy: -99.039
bonds (distance) P-C4' energy: -87.129
flat angles C4'-P-C4' energy: -94.424
flat angles P-C4'-P energy: -53.919
tors. eta vs tors. theta energy: -26.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -603.951510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.951510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.951510 (E_RNA)
where:
Base-Base interactions energy: -258.573
where: short stacking energy: -156.281
Base-Backbone interact. energy: 0.977
local terms energy: -346.356256
where:
bonds (distance) C4'-P energy: -91.499
bonds (distance) P-C4' energy: -108.972
flat angles C4'-P-C4' energy: -86.648
flat angles P-C4'-P energy: -60.341
tors. eta vs tors. theta energy: 1.103
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: 1, replica: 8
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -2115.622999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.622999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.622999 (E_RNA)
where:
Base-Base interactions energy: -1462.138
where: short stacking energy: -636.541
Base-Backbone interact. energy: 1.491
local terms energy: -654.976087
where:
bonds (distance) C4'-P energy: -116.049
bonds (distance) P-C4' energy: -114.706
flat angles C4'-P-C4' energy: -140.454
flat angles P-C4'-P energy: -90.535
tors. eta vs tors. theta energy: -193.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1991.506202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.506202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.506202 (E_RNA)
where:
Base-Base interactions energy: -1394.452
where: short stacking energy: -578.587
Base-Backbone interact. energy: -4.626
local terms energy: -592.428153
where:
bonds (distance) C4'-P energy: -104.055
bonds (distance) P-C4' energy: -99.937
flat angles C4'-P-C4' energy: -130.735
flat angles P-C4'-P energy: -85.834
tors. eta vs tors. theta energy: -171.867
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: 3, replica: 9
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1940.792032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.792032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.792032 (E_RNA)
where:
Base-Base interactions energy: -1342.304
where: short stacking energy: -530.271
Base-Backbone interact. energy: -2.443
local terms energy: -596.045302
where:
bonds (distance) C4'-P energy: -107.144
bonds (distance) P-C4' energy: -116.159
flat angles C4'-P-C4' energy: -132.156
flat angles P-C4'-P energy: -81.111
tors. eta vs tors. theta energy: -159.476
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: 4, replica: 7
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -1800.260757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.260757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.260757 (E_RNA)
where:
Base-Base interactions energy: -1220.441
where: short stacking energy: -503.891
Base-Backbone interact. energy: -1.493
local terms energy: -578.326996
where:
bonds (distance) C4'-P energy: -106.007
bonds (distance) P-C4' energy: -113.931
flat angles C4'-P-C4' energy: -129.009
flat angles P-C4'-P energy: -78.658
tors. eta vs tors. theta energy: -150.722
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: 1
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -1619.473436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.473436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.473436 (E_RNA)
where:
Base-Base interactions energy: -1081.136
where: short stacking energy: -488.811
Base-Backbone interact. energy: -0.312
local terms energy: -538.024930
where:
bonds (distance) C4'-P energy: -105.600
bonds (distance) P-C4' energy: -86.435
flat angles C4'-P-C4' energy: -118.648
flat angles P-C4'-P energy: -73.850
tors. eta vs tors. theta energy: -153.492
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: 6, replica: 10
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -1520.631562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.631562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.631562 (E_RNA)
where:
Base-Base interactions energy: -1012.930
where: short stacking energy: -445.911
Base-Backbone interact. energy: 0.263
local terms energy: -507.965040
where:
bonds (distance) C4'-P energy: -107.215
bonds (distance) P-C4' energy: -95.331
flat angles C4'-P-C4' energy: -103.279
flat angles P-C4'-P energy: -74.662
tors. eta vs tors. theta energy: -127.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -1104.975981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.975981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.975981 (E_RNA)
where:
Base-Base interactions energy: -658.166
where: short stacking energy: -310.722
Base-Backbone interact. energy: -0.465
local terms energy: -446.344882
where:
bonds (distance) C4'-P energy: -101.650
bonds (distance) P-C4' energy: -118.438
flat angles C4'-P-C4' energy: -83.738
flat angles P-C4'-P energy: -73.723
tors. eta vs tors. theta energy: -68.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -933.070251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.070251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.070251 (E_RNA)
where:
Base-Base interactions energy: -527.785
where: short stacking energy: -290.584
Base-Backbone interact. energy: 1.017
local terms energy: -406.302963
where:
bonds (distance) C4'-P energy: -108.208
bonds (distance) P-C4' energy: -91.382
flat angles C4'-P-C4' energy: -105.938
flat angles P-C4'-P energy: -48.455
tors. eta vs tors. theta energy: -52.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -823.861327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.861327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.861327 (E_RNA)
where:
Base-Base interactions energy: -465.960
where: short stacking energy: -216.675
Base-Backbone interact. energy: 0.383
local terms energy: -358.284276
where:
bonds (distance) C4'-P energy: -86.715
bonds (distance) P-C4' energy: -98.508
flat angles C4'-P-C4' energy: -87.831
flat angles P-C4'-P energy: -67.808
tors. eta vs tors. theta energy: -17.422
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: 6
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -559.820509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.820509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.820509 (E_RNA)
where:
Base-Base interactions energy: -250.650
where: short stacking energy: -143.827
Base-Backbone interact. energy: 1.349
local terms energy: -310.520454
where:
bonds (distance) C4'-P energy: -85.002
bonds (distance) P-C4' energy: -100.358
flat angles C4'-P-C4' energy: -83.493
flat angles P-C4'-P energy: -60.349
tors. eta vs tors. theta energy: 18.682
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: 1, replica: 8
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -2097.770730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.770730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.770730 (E_RNA)
where:
Base-Base interactions energy: -1452.475
where: short stacking energy: -625.987
Base-Backbone interact. energy: -2.870
local terms energy: -642.426079
where:
bonds (distance) C4'-P energy: -104.627
bonds (distance) P-C4' energy: -126.880
flat angles C4'-P-C4' energy: -131.197
flat angles P-C4'-P energy: -92.285
tors. eta vs tors. theta energy: -187.437
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: 2, replica: 9
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1950.474844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.474844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.474844 (E_RNA)
where:
Base-Base interactions energy: -1370.514
where: short stacking energy: -567.802
Base-Backbone interact. energy: -3.543
local terms energy: -576.418517
where:
bonds (distance) C4'-P energy: -105.282
bonds (distance) P-C4' energy: -108.137
flat angles C4'-P-C4' energy: -128.078
flat angles P-C4'-P energy: -84.882
tors. eta vs tors. theta energy: -150.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1918.638832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.638832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.638832 (E_RNA)
where:
Base-Base interactions energy: -1326.604
where: short stacking energy: -537.796
Base-Backbone interact. energy: 1.878
local terms energy: -593.913346
where:
bonds (distance) C4'-P energy: -117.144
bonds (distance) P-C4' energy: -114.918
flat angles C4'-P-C4' energy: -124.944
flat angles P-C4'-P energy: -73.972
tors. eta vs tors. theta energy: -162.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -1790.845497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.845497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.845497 (E_RNA)
where:
Base-Base interactions energy: -1226.135
where: short stacking energy: -525.336
Base-Backbone interact. energy: -1.557
local terms energy: -563.154390
where:
bonds (distance) C4'-P energy: -108.359
bonds (distance) P-C4' energy: -99.809
flat angles C4'-P-C4' energy: -128.544
flat angles P-C4'-P energy: -78.710
tors. eta vs tors. theta energy: -147.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1661.145322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.145322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.145322 (E_RNA)
where:
Base-Base interactions energy: -1108.034
where: short stacking energy: -509.956
Base-Backbone interact. energy: -3.208
local terms energy: -549.904029
where:
bonds (distance) C4'-P energy: -102.596
bonds (distance) P-C4' energy: -109.726
flat angles C4'-P-C4' energy: -108.363
flat angles P-C4'-P energy: -78.586
tors. eta vs tors. theta energy: -150.633
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: 10
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1552.799486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.799486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.799486 (E_RNA)
where:
Base-Base interactions energy: -1036.122
where: short stacking energy: -453.775
Base-Backbone interact. energy: 1.860
local terms energy: -518.537556
where:
bonds (distance) C4'-P energy: -95.784
bonds (distance) P-C4' energy: -100.469
flat angles C4'-P-C4' energy: -115.157
flat angles P-C4'-P energy: -86.977
tors. eta vs tors. theta energy: -120.151
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: 7, replica: 3
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -1130.658209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.658209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.658209 (E_RNA)
where:
Base-Base interactions energy: -676.500
where: short stacking energy: -334.902
Base-Backbone interact. energy: 1.412
local terms energy: -455.570634
where:
bonds (distance) C4'-P energy: -96.305
bonds (distance) P-C4' energy: -109.478
flat angles C4'-P-C4' energy: -117.392
flat angles P-C4'-P energy: -59.269
tors. eta vs tors. theta energy: -73.126
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: 8, replica: 2
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -943.208222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.208222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.208222 (E_RNA)
where:
Base-Base interactions energy: -561.006
where: short stacking energy: -274.864
Base-Backbone interact. energy: -3.236
local terms energy: -378.966713
where:
bonds (distance) C4'-P energy: -85.659
bonds (distance) P-C4' energy: -113.327
flat angles C4'-P-C4' energy: -86.229
flat angles P-C4'-P energy: -62.762
tors. eta vs tors. theta energy: -30.990
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: 9, replica: 5
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -767.013227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.013227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.013227 (E_RNA)
where:
Base-Base interactions energy: -406.702
where: short stacking energy: -202.699
Base-Backbone interact. energy: 2.730
local terms energy: -363.041144
where:
bonds (distance) C4'-P energy: -89.624
bonds (distance) P-C4' energy: -92.000
flat angles C4'-P-C4' energy: -89.366
flat angles P-C4'-P energy: -70.832
tors. eta vs tors. theta energy: -21.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -546.128476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.128476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.128476 (E_RNA)
where:
Base-Base interactions energy: -230.141
where: short stacking energy: -148.652
Base-Backbone interact. energy: 3.258
local terms energy: -319.246104
where:
bonds (distance) C4'-P energy: -97.069
bonds (distance) P-C4' energy: -90.169
flat angles C4'-P-C4' energy: -75.017
flat angles P-C4'-P energy: -60.868
tors. eta vs tors. theta energy: 3.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -2095.072791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.072791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.072791 (E_RNA)
where:
Base-Base interactions energy: -1439.636
where: short stacking energy: -621.822
Base-Backbone interact. energy: -1.336
local terms energy: -654.100532
where:
bonds (distance) C4'-P energy: -114.405
bonds (distance) P-C4' energy: -124.290
flat angles C4'-P-C4' energy: -142.202
flat angles P-C4'-P energy: -83.405
tors. eta vs tors. theta energy: -189.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1942.537132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.537132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.537132 (E_RNA)
where:
Base-Base interactions energy: -1352.351
where: short stacking energy: -561.886
Base-Backbone interact. energy: -4.194
local terms energy: -585.992449
where:
bonds (distance) C4'-P energy: -96.321
bonds (distance) P-C4' energy: -113.254
flat angles C4'-P-C4' energy: -134.261
flat angles P-C4'-P energy: -87.935
tors. eta vs tors. theta energy: -154.222
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: 4
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1937.613099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.613099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.613099 (E_RNA)
where:
Base-Base interactions energy: -1334.396
where: short stacking energy: -548.483
Base-Backbone interact. energy: -1.232
local terms energy: -601.985426
where:
bonds (distance) C4'-P energy: -119.061
bonds (distance) P-C4' energy: -112.222
flat angles C4'-P-C4' energy: -114.885
flat angles P-C4'-P energy: -81.437
tors. eta vs tors. theta energy: -174.380
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: 7
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -1784.389256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.389256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.389256 (E_RNA)
where:
Base-Base interactions energy: -1226.924
where: short stacking energy: -505.113
Base-Backbone interact. energy: -2.366
local terms energy: -555.098666
where:
bonds (distance) C4'-P energy: -104.455
bonds (distance) P-C4' energy: -111.759
flat angles C4'-P-C4' energy: -126.504
flat angles P-C4'-P energy: -68.041
tors. eta vs tors. theta energy: -144.339
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: 1
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1630.046781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.046781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.046781 (E_RNA)
where:
Base-Base interactions energy: -1091.511
where: short stacking energy: -463.570
Base-Backbone interact. energy: -3.375
local terms energy: -535.160306
where:
bonds (distance) C4'-P energy: -93.591
bonds (distance) P-C4' energy: -111.715
flat angles C4'-P-C4' energy: -126.341
flat angles P-C4'-P energy: -63.964
tors. eta vs tors. theta energy: -139.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -1562.213460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.213460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.213460 (E_RNA)
where:
Base-Base interactions energy: -1053.126
where: short stacking energy: -457.934
Base-Backbone interact. energy: -2.194
local terms energy: -506.892688
where:
bonds (distance) C4'-P energy: -91.216
bonds (distance) P-C4' energy: -104.871
flat angles C4'-P-C4' energy: -122.886
flat angles P-C4'-P energy: -68.803
tors. eta vs tors. theta energy: -119.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -1174.976876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.976876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.976876 (E_RNA)
where:
Base-Base interactions energy: -730.542
where: short stacking energy: -314.010
Base-Backbone interact. energy: -0.412
local terms energy: -444.022071
where:
bonds (distance) C4'-P energy: -101.353
bonds (distance) P-C4' energy: -114.636
flat angles C4'-P-C4' energy: -99.718
flat angles P-C4'-P energy: -69.839
tors. eta vs tors. theta energy: -58.476
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: 2
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -942.875747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.875747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.875747 (E_RNA)
where:
Base-Base interactions energy: -529.890
where: short stacking energy: -273.561
Base-Backbone interact. energy: -1.272
local terms energy: -411.713849
where:
bonds (distance) C4'-P energy: -103.104
bonds (distance) P-C4' energy: -106.866
flat angles C4'-P-C4' energy: -107.567
flat angles P-C4'-P energy: -64.538
tors. eta vs tors. theta energy: -29.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -775.353713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.353713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.353713 (E_RNA)
where:
Base-Base interactions energy: -415.390
where: short stacking energy: -233.217
Base-Backbone interact. energy: 2.606
local terms energy: -362.569500
where:
bonds (distance) C4'-P energy: -102.779
bonds (distance) P-C4' energy: -111.000
flat angles C4'-P-C4' energy: -88.212
flat angles P-C4'-P energy: -43.081
tors. eta vs tors. theta energy: -17.498
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: 6
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -565.611594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.611594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.611594 (E_RNA)
where:
Base-Base interactions energy: -261.050
where: short stacking energy: -139.669
Base-Backbone interact. energy: -0.744
local terms energy: -303.817598
where:
bonds (distance) C4'-P energy: -97.294
bonds (distance) P-C4' energy: -94.568
flat angles C4'-P-C4' energy: -88.246
flat angles P-C4'-P energy: -39.365
tors. eta vs tors. theta energy: 15.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -2103.842208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.842208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.842208 (E_RNA)
where:
Base-Base interactions energy: -1460.780
where: short stacking energy: -601.560
Base-Backbone interact. energy: -1.111
local terms energy: -641.951517
where:
bonds (distance) C4'-P energy: -115.789
bonds (distance) P-C4' energy: -115.226
flat angles C4'-P-C4' energy: -128.770
flat angles P-C4'-P energy: -92.563
tors. eta vs tors. theta energy: -189.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1957.490710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.490710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.490710 (E_RNA)
where:
Base-Base interactions energy: -1333.112
where: short stacking energy: -543.265
Base-Backbone interact. energy: -1.992
local terms energy: -622.386344
where:
bonds (distance) C4'-P energy: -110.994
bonds (distance) P-C4' energy: -124.972
flat angles C4'-P-C4' energy: -130.998
flat angles P-C4'-P energy: -94.743
tors. eta vs tors. theta energy: -160.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1937.845218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.845218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.845218 (E_RNA)
where:
Base-Base interactions energy: -1320.568
where: short stacking energy: -548.931
Base-Backbone interact. energy: -2.208
local terms energy: -615.069647
where:
bonds (distance) C4'-P energy: -105.933
bonds (distance) P-C4' energy: -116.588
flat angles C4'-P-C4' energy: -130.914
flat angles P-C4'-P energy: -90.748
tors. eta vs tors. theta energy: -170.886
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: 7
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1818.106877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.106877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.106877 (E_RNA)
where:
Base-Base interactions energy: -1256.829
where: short stacking energy: -519.547
Base-Backbone interact. energy: -2.535
local terms energy: -558.743145
where:
bonds (distance) C4'-P energy: -85.462
bonds (distance) P-C4' energy: -119.879
flat angles C4'-P-C4' energy: -115.994
flat angles P-C4'-P energy: -82.288
tors. eta vs tors. theta energy: -155.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1612.232632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.232632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.232632 (E_RNA)
where:
Base-Base interactions energy: -1074.043
where: short stacking energy: -477.069
Base-Backbone interact. energy: -1.481
local terms energy: -536.709303
where:
bonds (distance) C4'-P energy: -108.509
bonds (distance) P-C4' energy: -114.627
flat angles C4'-P-C4' energy: -121.864
flat angles P-C4'-P energy: -58.421
tors. eta vs tors. theta energy: -133.288
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: 6, replica: 10
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -1606.457330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.457330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.457330 (E_RNA)
where:
Base-Base interactions energy: -1093.479
where: short stacking energy: -470.043
Base-Backbone interact. energy: -3.285
local terms energy: -509.693433
where:
bonds (distance) C4'-P energy: -86.217
bonds (distance) P-C4' energy: -103.405
flat angles C4'-P-C4' energy: -104.421
flat angles P-C4'-P energy: -77.480
tors. eta vs tors. theta energy: -138.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -1150.145672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.145672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.145672 (E_RNA)
where:
Base-Base interactions energy: -722.865
where: short stacking energy: -327.039
Base-Backbone interact. energy: -0.975
local terms energy: -426.306232
where:
bonds (distance) C4'-P energy: -96.177
bonds (distance) P-C4' energy: -106.688
flat angles C4'-P-C4' energy: -89.076
flat angles P-C4'-P energy: -62.317
tors. eta vs tors. theta energy: -72.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -938.691947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.691947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.691947 (E_RNA)
where:
Base-Base interactions energy: -550.912
where: short stacking energy: -257.318
Base-Backbone interact. energy: -2.610
local terms energy: -385.170178
where:
bonds (distance) C4'-P energy: -95.228
bonds (distance) P-C4' energy: -117.332
flat angles C4'-P-C4' energy: -97.320
flat angles P-C4'-P energy: -44.238
tors. eta vs tors. theta energy: -31.053
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: 5
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -761.039935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.039935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.039935 (E_RNA)
where:
Base-Base interactions energy: -414.706
where: short stacking energy: -209.068
Base-Backbone interact. energy: -0.164
local terms energy: -346.169954
where:
bonds (distance) C4'-P energy: -98.217
bonds (distance) P-C4' energy: -95.880
flat angles C4'-P-C4' energy: -84.066
flat angles P-C4'-P energy: -62.417
tors. eta vs tors. theta energy: -5.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -567.110949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.110949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.110949 (E_RNA)
where:
Base-Base interactions energy: -257.860
where: short stacking energy: -158.016
Base-Backbone interact. energy: 2.014
local terms energy: -311.265540
where:
bonds (distance) C4'-P energy: -93.762
bonds (distance) P-C4' energy: -85.747
flat angles C4'-P-C4' energy: -89.081
flat angles P-C4'-P energy: -49.598
tors. eta vs tors. theta energy: 6.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -2121.339549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.339549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.339549 (E_RNA)
where:
Base-Base interactions energy: -1457.610
where: short stacking energy: -616.463
Base-Backbone interact. energy: -1.408
local terms energy: -662.321562
where:
bonds (distance) C4'-P energy: -119.736
bonds (distance) P-C4' energy: -117.480
flat angles C4'-P-C4' energy: -138.602
flat angles P-C4'-P energy: -85.239
tors. eta vs tors. theta energy: -201.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1929.708776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.708776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.708776 (E_RNA)
where:
Base-Base interactions energy: -1365.649
where: short stacking energy: -534.522
Base-Backbone interact. energy: 0.964
local terms energy: -565.022999
where:
bonds (distance) C4'-P energy: -93.515
bonds (distance) P-C4' energy: -107.062
flat angles C4'-P-C4' energy: -130.572
flat angles P-C4'-P energy: -83.237
tors. eta vs tors. theta energy: -150.638
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: 4
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1945.245634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.245634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.245634 (E_RNA)
where:
Base-Base interactions energy: -1332.530
where: short stacking energy: -564.185
Base-Backbone interact. energy: 0.610
local terms energy: -613.325741
where:
bonds (distance) C4'-P energy: -101.906
bonds (distance) P-C4' energy: -113.774
flat angles C4'-P-C4' energy: -125.824
flat angles P-C4'-P energy: -95.806
tors. eta vs tors. theta energy: -176.016
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: 4, replica: 7
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1837.888888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.888888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.888888 (E_RNA)
where:
Base-Base interactions energy: -1240.935
where: short stacking energy: -526.310
Base-Backbone interact. energy: -2.416
local terms energy: -594.538559
where:
bonds (distance) C4'-P energy: -102.494
bonds (distance) P-C4' energy: -116.572
flat angles C4'-P-C4' energy: -117.287
flat angles P-C4'-P energy: -92.485
tors. eta vs tors. theta energy: -165.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1606.188490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.188490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.188490 (E_RNA)
where:
Base-Base interactions energy: -1046.343
where: short stacking energy: -454.271
Base-Backbone interact. energy: -3.199
local terms energy: -556.647423
where:
bonds (distance) C4'-P energy: -114.536
bonds (distance) P-C4' energy: -115.878
flat angles C4'-P-C4' energy: -121.353
flat angles P-C4'-P energy: -71.859
tors. eta vs tors. theta energy: -133.021
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: 6, replica: 10
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -1539.431165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.431165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.431165 (E_RNA)
where:
Base-Base interactions energy: -1006.698
where: short stacking energy: -443.131
Base-Backbone interact. energy: -2.298
local terms energy: -530.434540
where:
bonds (distance) C4'-P energy: -96.753
bonds (distance) P-C4' energy: -114.406
flat angles C4'-P-C4' energy: -120.359
flat angles P-C4'-P energy: -74.924
tors. eta vs tors. theta energy: -123.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -1134.876768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.876768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.876768 (E_RNA)
where:
Base-Base interactions energy: -701.464
where: short stacking energy: -339.165
Base-Backbone interact. energy: -2.105
local terms energy: -431.307554
where:
bonds (distance) C4'-P energy: -88.461
bonds (distance) P-C4' energy: -110.905
flat angles C4'-P-C4' energy: -94.117
flat angles P-C4'-P energy: -63.222
tors. eta vs tors. theta energy: -74.603
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: 8, replica: 2
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -984.518859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.518859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.518859 (E_RNA)
where:
Base-Base interactions energy: -584.198
where: short stacking energy: -292.871
Base-Backbone interact. energy: 2.188
local terms energy: -402.509371
where:
bonds (distance) C4'-P energy: -97.208
bonds (distance) P-C4' energy: -101.393
flat angles C4'-P-C4' energy: -95.784
flat angles P-C4'-P energy: -61.962
tors. eta vs tors. theta energy: -46.162
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: 210
Temperature: 1.300000
Total energy: -745.403804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.403804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.403804 (E_RNA)
where:
Base-Base interactions energy: -407.673
where: short stacking energy: -202.666
Base-Backbone interact. energy: 5.531
local terms energy: -343.261783
where:
bonds (distance) C4'-P energy: -84.373
bonds (distance) P-C4' energy: -93.389
flat angles C4'-P-C4' energy: -99.893
flat angles P-C4'-P energy: -40.111
tors. eta vs tors. theta energy: -25.496
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: 6
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -536.237049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.237049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.237049 (E_RNA)
where:
Base-Base interactions energy: -238.978
where: short stacking energy: -144.728
Base-Backbone interact. energy: -0.226
local terms energy: -297.032545
where:
bonds (distance) C4'-P energy: -93.523
bonds (distance) P-C4' energy: -108.281
flat angles C4'-P-C4' energy: -84.114
flat angles P-C4'-P energy: -32.380
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: 1, replica: 8
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -2116.893418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.893418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.893418 (E_RNA)
where:
Base-Base interactions energy: -1463.551
where: short stacking energy: -618.116
Base-Backbone interact. energy: -4.272
local terms energy: -649.070655
where:
bonds (distance) C4'-P energy: -114.337
bonds (distance) P-C4' energy: -116.642
flat angles C4'-P-C4' energy: -130.977
flat angles P-C4'-P energy: -97.790
tors. eta vs tors. theta energy: -189.325
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: 2, replica: 4
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1966.545775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.545775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.545775 (E_RNA)
where:
Base-Base interactions energy: -1352.339
where: short stacking energy: -554.950
Base-Backbone interact. energy: -0.999
local terms energy: -613.207440
where:
bonds (distance) C4'-P energy: -117.715
bonds (distance) P-C4' energy: -119.515
flat angles C4'-P-C4' energy: -120.370
flat angles P-C4'-P energy: -86.282
tors. eta vs tors. theta energy: -169.327
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: 9
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1931.743211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.743211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.743211 (E_RNA)
where:
Base-Base interactions energy: -1348.855
where: short stacking energy: -510.095
Base-Backbone interact. energy: -2.775
local terms energy: -580.112583
where:
bonds (distance) C4'-P energy: -98.127
bonds (distance) P-C4' energy: -105.773
flat angles C4'-P-C4' energy: -128.197
flat angles P-C4'-P energy: -83.507
tors. eta vs tors. theta energy: -164.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -1839.867888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.867888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.867888 (E_RNA)
where:
Base-Base interactions energy: -1251.570
where: short stacking energy: -521.564
Base-Backbone interact. energy: -4.652
local terms energy: -583.646487
where:
bonds (distance) C4'-P energy: -113.351
bonds (distance) P-C4' energy: -105.017
flat angles C4'-P-C4' energy: -124.294
flat angles P-C4'-P energy: -76.273
tors. eta vs tors. theta energy: -164.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -1589.506913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.506913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.506913 (E_RNA)
where:
Base-Base interactions energy: -1058.159
where: short stacking energy: -451.976
Base-Backbone interact. energy: -0.973
local terms energy: -530.375675
where:
bonds (distance) C4'-P energy: -97.970
bonds (distance) P-C4' energy: -107.811
flat angles C4'-P-C4' energy: -129.028
flat angles P-C4'-P energy: -67.084
tors. eta vs tors. theta energy: -128.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1514.100874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.100874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.100874 (E_RNA)
where:
Base-Base interactions energy: -990.905
where: short stacking energy: -440.189
Base-Backbone interact. energy: -1.534
local terms energy: -521.661867
where:
bonds (distance) C4'-P energy: -108.402
bonds (distance) P-C4' energy: -106.267
flat angles C4'-P-C4' energy: -116.381
flat angles P-C4'-P energy: -84.204
tors. eta vs tors. theta energy: -106.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1112.383937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.383937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.383937 (E_RNA)
where:
Base-Base interactions energy: -698.251
where: short stacking energy: -307.275
Base-Backbone interact. energy: -0.098
local terms energy: -414.034534
where:
bonds (distance) C4'-P energy: -77.878
bonds (distance) P-C4' energy: -104.410
flat angles C4'-P-C4' energy: -102.108
flat angles P-C4'-P energy: -73.845
tors. eta vs tors. theta energy: -55.794
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: 8, replica: 2
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -975.396130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.396130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.396130 (E_RNA)
where:
Base-Base interactions energy: -619.731
where: short stacking energy: -280.256
Base-Backbone interact. energy: -0.855
local terms energy: -354.809400
where:
bonds (distance) C4'-P energy: -79.878
bonds (distance) P-C4' energy: -91.517
flat angles C4'-P-C4' energy: -98.390
flat angles P-C4'-P energy: -47.736
tors. eta vs tors. theta energy: -37.288
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: 9, replica: 5
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -770.263376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.263376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.263376 (E_RNA)
where:
Base-Base interactions energy: -396.502
where: short stacking energy: -219.263
Base-Backbone interact. energy: -1.211
local terms energy: -372.551041
where:
bonds (distance) C4'-P energy: -88.373
bonds (distance) P-C4' energy: -97.389
flat angles C4'-P-C4' energy: -96.689
flat angles P-C4'-P energy: -53.180
tors. eta vs tors. theta energy: -36.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -553.962657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.962657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.962657 (E_RNA)
where:
Base-Base interactions energy: -254.208
where: short stacking energy: -156.118
Base-Backbone interact. energy: -1.568
local terms energy: -298.187328
where:
bonds (distance) C4'-P energy: -76.006
bonds (distance) P-C4' energy: -97.319
flat angles C4'-P-C4' energy: -76.770
flat angles P-C4'-P energy: -61.356
tors. eta vs tors. theta energy: 13.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -2107.263508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.263508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.263508 (E_RNA)
where:
Base-Base interactions energy: -1467.143
where: short stacking energy: -611.092
Base-Backbone interact. energy: -0.667
local terms energy: -639.453625
where:
bonds (distance) C4'-P energy: -105.288
bonds (distance) P-C4' energy: -116.468
flat angles C4'-P-C4' energy: -128.108
flat angles P-C4'-P energy: -103.429
tors. eta vs tors. theta energy: -186.161
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: 212
Temperature: 0.950000
Total energy: -1968.009562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.009562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.009562 (E_RNA)
where:
Base-Base interactions energy: -1349.271
where: short stacking energy: -561.165
Base-Backbone interact. energy: -1.824
local terms energy: -616.914576
where:
bonds (distance) C4'-P energy: -114.166
bonds (distance) P-C4' energy: -121.293
flat angles C4'-P-C4' energy: -126.114
flat angles P-C4'-P energy: -86.168
tors. eta vs tors. theta energy: -169.173
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: 3, replica: 9
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1893.113666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.113666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.113666 (E_RNA)
where:
Base-Base interactions energy: -1302.860
where: short stacking energy: -525.416
Base-Backbone interact. energy: -1.042
local terms energy: -589.212525
where:
bonds (distance) C4'-P energy: -97.883
bonds (distance) P-C4' energy: -118.602
flat angles C4'-P-C4' energy: -137.345
flat angles P-C4'-P energy: -84.527
tors. eta vs tors. theta energy: -150.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1849.151822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.151822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.151822 (E_RNA)
where:
Base-Base interactions energy: -1255.545
where: short stacking energy: -537.763
Base-Backbone interact. energy: 5.959
local terms energy: -599.565825
where:
bonds (distance) C4'-P energy: -102.343
bonds (distance) P-C4' energy: -119.812
flat angles C4'-P-C4' energy: -136.367
flat angles P-C4'-P energy: -80.736
tors. eta vs tors. theta energy: -160.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1610.539288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.539288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.539288 (E_RNA)
where:
Base-Base interactions energy: -1075.879
where: short stacking energy: -463.288
Base-Backbone interact. energy: -1.330
local terms energy: -533.330277
where:
bonds (distance) C4'-P energy: -104.783
bonds (distance) P-C4' energy: -96.692
flat angles C4'-P-C4' energy: -129.341
flat angles P-C4'-P energy: -78.205
tors. eta vs tors. theta energy: -124.309
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: 10
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -1565.250201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.250201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.250201 (E_RNA)
where:
Base-Base interactions energy: -1038.402
where: short stacking energy: -467.538
Base-Backbone interact. energy: -0.931
local terms energy: -525.917528
where:
bonds (distance) C4'-P energy: -107.429
bonds (distance) P-C4' energy: -100.261
flat angles C4'-P-C4' energy: -118.368
flat angles P-C4'-P energy: -70.132
tors. eta vs tors. theta energy: -129.728
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: 3
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -1131.289806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.289806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.289806 (E_RNA)
where:
Base-Base interactions energy: -689.106
where: short stacking energy: -302.604
Base-Backbone interact. energy: 2.144
local terms energy: -444.327616
where:
bonds (distance) C4'-P energy: -93.630
bonds (distance) P-C4' energy: -117.662
flat angles C4'-P-C4' energy: -104.154
flat angles P-C4'-P energy: -76.256
tors. eta vs tors. theta energy: -52.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -948.187019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.187019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.187019 (E_RNA)
where:
Base-Base interactions energy: -561.280
where: short stacking energy: -252.069
Base-Backbone interact. energy: -2.947
local terms energy: -383.960001
where:
bonds (distance) C4'-P energy: -83.565
bonds (distance) P-C4' energy: -93.353
flat angles C4'-P-C4' energy: -109.456
flat angles P-C4'-P energy: -64.670
tors. eta vs tors. theta energy: -32.915
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: 5
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -803.205977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.205977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.205977 (E_RNA)
where:
Base-Base interactions energy: -439.647
where: short stacking energy: -235.129
Base-Backbone interact. energy: 0.179
local terms energy: -363.738222
where:
bonds (distance) C4'-P energy: -98.250
bonds (distance) P-C4' energy: -86.632
flat angles C4'-P-C4' energy: -85.915
flat angles P-C4'-P energy: -51.775
tors. eta vs tors. theta energy: -41.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -561.345116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.345116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.345116 (E_RNA)
where:
Base-Base interactions energy: -257.967
where: short stacking energy: -146.045
Base-Backbone interact. energy: -0.439
local terms energy: -302.939179
where:
bonds (distance) C4'-P energy: -86.121
bonds (distance) P-C4' energy: -102.777
flat angles C4'-P-C4' energy: -73.845
flat angles P-C4'-P energy: -50.924
tors. eta vs tors. theta energy: 10.727
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: 1, replica: 8
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -2087.484206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.484206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.484206 (E_RNA)
where:
Base-Base interactions energy: -1429.431
where: short stacking energy: -589.306
Base-Backbone interact. energy: -2.854
local terms energy: -655.199442
where:
bonds (distance) C4'-P energy: -121.715
bonds (distance) P-C4' energy: -117.381
flat angles C4'-P-C4' energy: -134.392
flat angles P-C4'-P energy: -96.233
tors. eta vs tors. theta energy: -185.479
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: 2, replica: 4
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1981.283008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.283008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.283008 (E_RNA)
where:
Base-Base interactions energy: -1380.486
where: short stacking energy: -593.844
Base-Backbone interact. energy: -4.825
local terms energy: -595.972471
where:
bonds (distance) C4'-P energy: -101.972
bonds (distance) P-C4' energy: -107.951
flat angles C4'-P-C4' energy: -130.332
flat angles P-C4'-P energy: -78.751
tors. eta vs tors. theta energy: -176.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1857.265618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.265618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.265618 (E_RNA)
where:
Base-Base interactions energy: -1298.262
where: short stacking energy: -529.781
Base-Backbone interact. energy: -3.703
local terms energy: -555.300365
where:
bonds (distance) C4'-P energy: -98.818
bonds (distance) P-C4' energy: -99.699
flat angles C4'-P-C4' energy: -125.623
flat angles P-C4'-P energy: -80.139
tors. eta vs tors. theta energy: -151.022
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: 4, replica: 7
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -1834.246901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.246901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.246901 (E_RNA)
where:
Base-Base interactions energy: -1235.080
where: short stacking energy: -517.931
Base-Backbone interact. energy: -1.585
local terms energy: -597.582351
where:
bonds (distance) C4'-P energy: -111.465
bonds (distance) P-C4' energy: -111.667
flat angles C4'-P-C4' energy: -123.248
flat angles P-C4'-P energy: -93.706
tors. eta vs tors. theta energy: -157.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1631.810720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.810720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.810720 (E_RNA)
where:
Base-Base interactions energy: -1101.617
where: short stacking energy: -473.450
Base-Backbone interact. energy: -3.030
local terms energy: -527.164039
where:
bonds (distance) C4'-P energy: -95.534
bonds (distance) P-C4' energy: -94.890
flat angles C4'-P-C4' energy: -119.658
flat angles P-C4'-P energy: -82.701
tors. eta vs tors. theta energy: -134.381
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: 10
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -1532.621319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.621319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.621319 (E_RNA)
where:
Base-Base interactions energy: -1052.953
where: short stacking energy: -458.496
Base-Backbone interact. energy: 2.752
local terms energy: -482.420181
where:
bonds (distance) C4'-P energy: -87.432
bonds (distance) P-C4' energy: -114.824
flat angles C4'-P-C4' energy: -97.086
flat angles P-C4'-P energy: -73.890
tors. eta vs tors. theta energy: -109.188
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: 3
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1124.185065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.185065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.185065 (E_RNA)
where:
Base-Base interactions energy: -680.965
where: short stacking energy: -312.598
Base-Backbone interact. energy: 0.647
local terms energy: -443.866955
where:
bonds (distance) C4'-P energy: -98.830
bonds (distance) P-C4' energy: -115.501
flat angles C4'-P-C4' energy: -101.720
flat angles P-C4'-P energy: -66.001
tors. eta vs tors. theta energy: -61.815
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: 2
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -1005.273962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.273962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.273962 (E_RNA)
where:
Base-Base interactions energy: -614.679
where: short stacking energy: -302.287
Base-Backbone interact. energy: -1.341
local terms energy: -389.253314
where:
bonds (distance) C4'-P energy: -80.269
bonds (distance) P-C4' energy: -95.852
flat angles C4'-P-C4' energy: -106.331
flat angles P-C4'-P energy: -52.822
tors. eta vs tors. theta energy: -53.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -780.118736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.118736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.118736 (E_RNA)
where:
Base-Base interactions energy: -411.248
where: short stacking energy: -222.729
Base-Backbone interact. energy: -3.228
local terms energy: -365.642571
where:
bonds (distance) C4'-P energy: -106.106
bonds (distance) P-C4' energy: -97.272
flat angles C4'-P-C4' energy: -96.930
flat angles P-C4'-P energy: -49.819
tors. eta vs tors. theta energy: -15.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -517.508872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.508872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.508872 (E_RNA)
where:
Base-Base interactions energy: -234.053
where: short stacking energy: -141.642
Base-Backbone interact. energy: 1.983
local terms energy: -285.438982
where:
bonds (distance) C4'-P energy: -70.539
bonds (distance) P-C4' energy: -98.156
flat angles C4'-P-C4' energy: -81.545
flat angles P-C4'-P energy: -47.840
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: 1, replica: 8
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -2087.833428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.833428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.833428 (E_RNA)
where:
Base-Base interactions energy: -1447.878
where: short stacking energy: -591.688
Base-Backbone interact. energy: -0.233
local terms energy: -639.722496
where:
bonds (distance) C4'-P energy: -100.991
bonds (distance) P-C4' energy: -116.513
flat angles C4'-P-C4' energy: -142.999
flat angles P-C4'-P energy: -94.115
tors. eta vs tors. theta energy: -185.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1996.556429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.556429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.556429 (E_RNA)
where:
Base-Base interactions energy: -1377.215
where: short stacking energy: -567.773
Base-Backbone interact. energy: 3.072
local terms energy: -622.413643
where:
bonds (distance) C4'-P energy: -103.414
bonds (distance) P-C4' energy: -111.612
flat angles C4'-P-C4' energy: -128.120
flat angles P-C4'-P energy: -94.690
tors. eta vs tors. theta energy: -184.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1869.420674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.420674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.420674 (E_RNA)
where:
Base-Base interactions energy: -1310.920
where: short stacking energy: -526.947
Base-Backbone interact. energy: -2.163
local terms energy: -556.337572
where:
bonds (distance) C4'-P energy: -96.140
bonds (distance) P-C4' energy: -119.676
flat angles C4'-P-C4' energy: -124.955
flat angles P-C4'-P energy: -74.328
tors. eta vs tors. theta energy: -141.239
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: 7
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -1825.560415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.560415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.560415 (E_RNA)
where:
Base-Base interactions energy: -1258.340
where: short stacking energy: -504.943
Base-Backbone interact. energy: -2.264
local terms energy: -564.956383
where:
bonds (distance) C4'-P energy: -101.960
bonds (distance) P-C4' energy: -101.952
flat angles C4'-P-C4' energy: -126.333
flat angles P-C4'-P energy: -80.179
tors. eta vs tors. theta energy: -154.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1647.887704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.887704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.887704 (E_RNA)
where:
Base-Base interactions energy: -1118.533
where: short stacking energy: -481.924
Base-Backbone interact. energy: -2.282
local terms energy: -527.073253
where:
bonds (distance) C4'-P energy: -91.350
bonds (distance) P-C4' energy: -106.586
flat angles C4'-P-C4' energy: -109.287
flat angles P-C4'-P energy: -74.079
tors. eta vs tors. theta energy: -145.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1546.875281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.875281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.875281 (E_RNA)
where:
Base-Base interactions energy: -1032.712
where: short stacking energy: -431.897
Base-Backbone interact. energy: -3.924
local terms energy: -510.239757
where:
bonds (distance) C4'-P energy: -111.130
bonds (distance) P-C4' energy: -114.248
flat angles C4'-P-C4' energy: -106.078
flat angles P-C4'-P energy: -67.698
tors. eta vs tors. theta energy: -111.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -1144.555665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.555665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.555665 (E_RNA)
where:
Base-Base interactions energy: -680.311
where: short stacking energy: -321.709
Base-Backbone interact. energy: -0.757
local terms energy: -463.487929
where:
bonds (distance) C4'-P energy: -87.944
bonds (distance) P-C4' energy: -121.133
flat angles C4'-P-C4' energy: -105.352
flat angles P-C4'-P energy: -67.029
tors. eta vs tors. theta energy: -82.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -958.567982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.567982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.567982 (E_RNA)
where:
Base-Base interactions energy: -586.051
where: short stacking energy: -276.633
Base-Backbone interact. energy: 1.342
local terms energy: -373.859479
where:
bonds (distance) C4'-P energy: -94.046
bonds (distance) P-C4' energy: -101.911
flat angles C4'-P-C4' energy: -83.981
flat angles P-C4'-P energy: -44.263
tors. eta vs tors. theta energy: -49.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -743.929529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.929529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.929529 (E_RNA)
where:
Base-Base interactions energy: -395.332
where: short stacking energy: -201.315
Base-Backbone interact. energy: 2.282
local terms energy: -350.880072
where:
bonds (distance) C4'-P energy: -97.333
bonds (distance) P-C4' energy: -100.304
flat angles C4'-P-C4' energy: -83.634
flat angles P-C4'-P energy: -49.027
tors. eta vs tors. theta energy: -20.583
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: 6
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -429.274291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.274291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.274291 (E_RNA)
where:
Base-Base interactions energy: -150.456
where: short stacking energy: -100.553
Base-Backbone interact. energy: -2.240
local terms energy: -276.578798
where:
bonds (distance) C4'-P energy: -96.560
bonds (distance) P-C4' energy: -105.306
flat angles C4'-P-C4' energy: -69.855
flat angles P-C4'-P energy: -44.663
tors. eta vs tors. theta energy: 39.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -2106.720214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.720214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.720214 (E_RNA)
where:
Base-Base interactions energy: -1478.333
where: short stacking energy: -627.328
Base-Backbone interact. energy: -3.003
local terms energy: -625.384364
where:
bonds (distance) C4'-P energy: -108.339
bonds (distance) P-C4' energy: -102.148
flat angles C4'-P-C4' energy: -127.369
flat angles P-C4'-P energy: -104.639
tors. eta vs tors. theta energy: -182.891
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: 4
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1995.879256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.879256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.879256 (E_RNA)
where:
Base-Base interactions energy: -1358.616
where: short stacking energy: -557.136
Base-Backbone interact. energy: -1.323
local terms energy: -635.940329
where:
bonds (distance) C4'-P energy: -125.612
bonds (distance) P-C4' energy: -123.422
flat angles C4'-P-C4' energy: -126.413
flat angles P-C4'-P energy: -87.417
tors. eta vs tors. theta energy: -173.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1880.787309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.787309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.787309 (E_RNA)
where:
Base-Base interactions energy: -1315.888
where: short stacking energy: -518.738
Base-Backbone interact. energy: -1.107
local terms energy: -563.792006
where:
bonds (distance) C4'-P energy: -113.808
bonds (distance) P-C4' energy: -116.364
flat angles C4'-P-C4' energy: -114.706
flat angles P-C4'-P energy: -73.749
tors. eta vs tors. theta energy: -145.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1835.673231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.673231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.673231 (E_RNA)
where:
Base-Base interactions energy: -1261.064
where: short stacking energy: -531.182
Base-Backbone interact. energy: -1.647
local terms energy: -572.962147
where:
bonds (distance) C4'-P energy: -116.601
bonds (distance) P-C4' energy: -114.529
flat angles C4'-P-C4' energy: -125.215
flat angles P-C4'-P energy: -63.015
tors. eta vs tors. theta energy: -153.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1657.331681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.331681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.331681 (E_RNA)
where:
Base-Base interactions energy: -1126.502
where: short stacking energy: -499.000
Base-Backbone interact. energy: -1.808
local terms energy: -529.021908
where:
bonds (distance) C4'-P energy: -99.011
bonds (distance) P-C4' energy: -104.963
flat angles C4'-P-C4' energy: -107.711
flat angles P-C4'-P energy: -80.918
tors. eta vs tors. theta energy: -136.420
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: 10
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -1535.441294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.441294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.441294 (E_RNA)
where:
Base-Base interactions energy: -1052.494
where: short stacking energy: -455.903
Base-Backbone interact. energy: 0.167
local terms energy: -483.115225
where:
bonds (distance) C4'-P energy: -94.334
bonds (distance) P-C4' energy: -104.803
flat angles C4'-P-C4' energy: -113.785
flat angles P-C4'-P energy: -65.930
tors. eta vs tors. theta energy: -104.262
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: 3
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1082.250354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.250354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.250354 (E_RNA)
where:
Base-Base interactions energy: -666.262
where: short stacking energy: -310.232
Base-Backbone interact. energy: -1.538
local terms energy: -414.450848
where:
bonds (distance) C4'-P energy: -83.940
bonds (distance) P-C4' energy: -110.669
flat angles C4'-P-C4' energy: -99.472
flat angles P-C4'-P energy: -70.539
tors. eta vs tors. theta energy: -49.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -1038.884209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.884209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.884209 (E_RNA)
where:
Base-Base interactions energy: -639.605
where: short stacking energy: -306.318
Base-Backbone interact. energy: 1.375
local terms energy: -400.654857
where:
bonds (distance) C4'-P energy: -99.588
bonds (distance) P-C4' energy: -96.046
flat angles C4'-P-C4' energy: -93.854
flat angles P-C4'-P energy: -55.312
tors. eta vs tors. theta energy: -55.855
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: 9, replica: 5
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -796.122808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.122808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.122808 (E_RNA)
where:
Base-Base interactions energy: -423.782
where: short stacking energy: -221.222
Base-Backbone interact. energy: -1.821
local terms energy: -370.519810
where:
bonds (distance) C4'-P energy: -90.112
bonds (distance) P-C4' energy: -84.033
flat angles C4'-P-C4' energy: -110.806
flat angles P-C4'-P energy: -49.252
tors. eta vs tors. theta energy: -36.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -498.965247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.965247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.965247 (E_RNA)
where:
Base-Base interactions energy: -183.603
where: short stacking energy: -157.425
Base-Backbone interact. energy: -0.570
local terms energy: -314.791932
where:
bonds (distance) C4'-P energy: -96.430
bonds (distance) P-C4' energy: -96.611
flat angles C4'-P-C4' energy: -74.242
flat angles P-C4'-P energy: -45.529
tors. eta vs tors. theta energy: -1.980
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: 8
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -2099.740630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.740630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.740630 (E_RNA)
where:
Base-Base interactions energy: -1428.933
where: short stacking energy: -625.725
Base-Backbone interact. energy: -3.127
local terms energy: -667.680994
where:
bonds (distance) C4'-P energy: -122.603
bonds (distance) P-C4' energy: -120.097
flat angles C4'-P-C4' energy: -131.904
flat angles P-C4'-P energy: -96.436
tors. eta vs tors. theta energy: -196.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1974.021312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.021312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.021312 (E_RNA)
where:
Base-Base interactions energy: -1388.247
where: short stacking energy: -576.857
Base-Backbone interact. energy: 5.191
local terms energy: -590.965160
where:
bonds (distance) C4'-P energy: -99.010
bonds (distance) P-C4' energy: -106.783
flat angles C4'-P-C4' energy: -133.365
flat angles P-C4'-P energy: -84.736
tors. eta vs tors. theta energy: -167.071
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: 7
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1898.559673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.559673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.559673 (E_RNA)
where:
Base-Base interactions energy: -1321.253
where: short stacking energy: -549.625
Base-Backbone interact. energy: -0.059
local terms energy: -577.247523
where:
bonds (distance) C4'-P energy: -98.688
bonds (distance) P-C4' energy: -108.382
flat angles C4'-P-C4' energy: -130.966
flat angles P-C4'-P energy: -80.199
tors. eta vs tors. theta energy: -159.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1816.245782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.245782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.245782 (E_RNA)
where:
Base-Base interactions energy: -1283.312
where: short stacking energy: -526.078
Base-Backbone interact. energy: -5.878
local terms energy: -527.055915
where:
bonds (distance) C4'-P energy: -99.181
bonds (distance) P-C4' energy: -95.548
flat angles C4'-P-C4' energy: -126.196
flat angles P-C4'-P energy: -67.240
tors. eta vs tors. theta energy: -138.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1618.436464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.436464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.436464 (E_RNA)
where:
Base-Base interactions energy: -1104.527
where: short stacking energy: -464.808
Base-Backbone interact. energy: -0.416
local terms energy: -513.493458
where:
bonds (distance) C4'-P energy: -102.224
bonds (distance) P-C4' energy: -81.845
flat angles C4'-P-C4' energy: -121.134
flat angles P-C4'-P energy: -78.271
tors. eta vs tors. theta energy: -130.019
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: 10
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1490.591825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.591825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.591825 (E_RNA)
where:
Base-Base interactions energy: -984.803
where: short stacking energy: -429.470
Base-Backbone interact. energy: 1.862
local terms energy: -507.650796
where:
bonds (distance) C4'-P energy: -112.745
bonds (distance) P-C4' energy: -118.805
flat angles C4'-P-C4' energy: -96.184
flat angles P-C4'-P energy: -79.011
tors. eta vs tors. theta energy: -100.905
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: 7, replica: 3
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1139.385776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.385776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.385776 (E_RNA)
where:
Base-Base interactions energy: -691.305
where: short stacking energy: -344.090
Base-Backbone interact. energy: 0.571
local terms energy: -448.652089
where:
bonds (distance) C4'-P energy: -99.231
bonds (distance) P-C4' energy: -99.501
flat angles C4'-P-C4' energy: -108.316
flat angles P-C4'-P energy: -62.530
tors. eta vs tors. theta energy: -79.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -1004.643531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.643531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.643531 (E_RNA)
where:
Base-Base interactions energy: -626.981
where: short stacking energy: -282.920
Base-Backbone interact. energy: 5.108
local terms energy: -382.771164
where:
bonds (distance) C4'-P energy: -100.336
bonds (distance) P-C4' energy: -94.711
flat angles C4'-P-C4' energy: -91.865
flat angles P-C4'-P energy: -62.703
tors. eta vs tors. theta energy: -33.156
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: 5
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -774.376259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.376259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.376259 (E_RNA)
where:
Base-Base interactions energy: -417.157
where: short stacking energy: -197.062
Base-Backbone interact. energy: 0.324
local terms energy: -357.543725
where:
bonds (distance) C4'-P energy: -81.521
bonds (distance) P-C4' energy: -93.423
flat angles C4'-P-C4' energy: -109.343
flat angles P-C4'-P energy: -65.229
tors. eta vs tors. theta energy: -8.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -434.396553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.396553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.396553 (E_RNA)
where:
Base-Base interactions energy: -146.917
where: short stacking energy: -117.805
Base-Backbone interact. energy: 0.845
local terms energy: -288.324433
where:
bonds (distance) C4'-P energy: -89.917
bonds (distance) P-C4' energy: -71.863
flat angles C4'-P-C4' energy: -94.437
flat angles P-C4'-P energy: -50.376
tors. eta vs tors. theta energy: 18.268
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: 1, replica: 8
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -2107.371048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.371048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.371048 (E_RNA)
where:
Base-Base interactions energy: -1442.394
where: short stacking energy: -641.139
Base-Backbone interact. energy: -3.008
local terms energy: -661.968359
where:
bonds (distance) C4'-P energy: -128.780
bonds (distance) P-C4' energy: -116.349
flat angles C4'-P-C4' energy: -131.392
flat angles P-C4'-P energy: -95.254
tors. eta vs tors. theta energy: -190.194
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: 4
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1974.847215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.847215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.847215 (E_RNA)
where:
Base-Base interactions energy: -1365.701
where: short stacking energy: -553.393
Base-Backbone interact. energy: 3.225
local terms energy: -612.370906
where:
bonds (distance) C4'-P energy: -122.611
bonds (distance) P-C4' energy: -118.825
flat angles C4'-P-C4' energy: -120.952
flat angles P-C4'-P energy: -79.749
tors. eta vs tors. theta energy: -170.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1900.257596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.257596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.257596 (E_RNA)
where:
Base-Base interactions energy: -1294.226
where: short stacking energy: -524.802
Base-Backbone interact. energy: -0.611
local terms energy: -605.420627
where:
bonds (distance) C4'-P energy: -119.432
bonds (distance) P-C4' energy: -109.954
flat angles C4'-P-C4' energy: -135.951
flat angles P-C4'-P energy: -86.508
tors. eta vs tors. theta energy: -153.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -1827.147388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.147388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.147388 (E_RNA)
where:
Base-Base interactions energy: -1256.548
where: short stacking energy: -519.744
Base-Backbone interact. energy: -2.434
local terms energy: -568.165560
where:
bonds (distance) C4'-P energy: -100.857
bonds (distance) P-C4' energy: -108.164
flat angles C4'-P-C4' energy: -126.492
flat angles P-C4'-P energy: -87.364
tors. eta vs tors. theta energy: -145.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -1608.403413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.403413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.403413 (E_RNA)
where:
Base-Base interactions energy: -1118.045
where: short stacking energy: -466.645
Base-Backbone interact. energy: -0.302
local terms energy: -490.056241
where:
bonds (distance) C4'-P energy: -86.065
bonds (distance) P-C4' energy: -107.295
flat angles C4'-P-C4' energy: -119.407
flat angles P-C4'-P energy: -51.251
tors. eta vs tors. theta energy: -126.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -1491.190063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.190063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.190063 (E_RNA)
where:
Base-Base interactions energy: -977.473
where: short stacking energy: -429.202
Base-Backbone interact. energy: -1.843
local terms energy: -511.874884
where:
bonds (distance) C4'-P energy: -109.403
bonds (distance) P-C4' energy: -104.254
flat angles C4'-P-C4' energy: -113.776
flat angles P-C4'-P energy: -72.232
tors. eta vs tors. theta energy: -112.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1096.107351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.107351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.107351 (E_RNA)
where:
Base-Base interactions energy: -647.110
where: short stacking energy: -286.927
Base-Backbone interact. energy: -0.786
local terms energy: -448.211078
where:
bonds (distance) C4'-P energy: -109.147
bonds (distance) P-C4' energy: -105.457
flat angles C4'-P-C4' energy: -109.073
flat angles P-C4'-P energy: -62.227
tors. eta vs tors. theta energy: -62.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -1022.178898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.178898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.178898 (E_RNA)
where:
Base-Base interactions energy: -617.141
where: short stacking energy: -285.138
Base-Backbone interact. energy: -0.868
local terms energy: -404.169539
where:
bonds (distance) C4'-P energy: -91.647
bonds (distance) P-C4' energy: -114.171
flat angles C4'-P-C4' energy: -95.189
flat angles P-C4'-P energy: -49.627
tors. eta vs tors. theta energy: -53.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -780.838114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.838114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.838114 (E_RNA)
where:
Base-Base interactions energy: -428.791
where: short stacking energy: -215.954
Base-Backbone interact. energy: 5.421
local terms energy: -357.468925
where:
bonds (distance) C4'-P energy: -100.321
bonds (distance) P-C4' energy: -83.544
flat angles C4'-P-C4' energy: -112.096
flat angles P-C4'-P energy: -42.682
tors. eta vs tors. theta energy: -18.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -448.490343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.490343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.490343 (E_RNA)
where:
Base-Base interactions energy: -135.049
where: short stacking energy: -100.571
Base-Backbone interact. energy: -2.066
local terms energy: -311.375614
where:
bonds (distance) C4'-P energy: -93.468
bonds (distance) P-C4' energy: -101.608
flat angles C4'-P-C4' energy: -100.258
flat angles P-C4'-P energy: -49.349
tors. eta vs tors. theta energy: 33.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -2093.117657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.117657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.117657 (E_RNA)
where:
Base-Base interactions energy: -1434.653
where: short stacking energy: -641.186
Base-Backbone interact. energy: -2.697
local terms energy: -655.767348
where:
bonds (distance) C4'-P energy: -113.715
bonds (distance) P-C4' energy: -120.307
flat angles C4'-P-C4' energy: -137.442
flat angles P-C4'-P energy: -93.505
tors. eta vs tors. theta energy: -190.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1965.659948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.659948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.659948 (E_RNA)
where:
Base-Base interactions energy: -1343.151
where: short stacking energy: -547.500
Base-Backbone interact. energy: -0.936
local terms energy: -621.573187
where:
bonds (distance) C4'-P energy: -124.211
bonds (distance) P-C4' energy: -108.785
flat angles C4'-P-C4' energy: -128.865
flat angles P-C4'-P energy: -89.159
tors. eta vs tors. theta energy: -170.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1927.642597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.642597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.642597 (E_RNA)
where:
Base-Base interactions energy: -1332.232
where: short stacking energy: -540.011
Base-Backbone interact. energy: -3.417
local terms energy: -591.994364
where:
bonds (distance) C4'-P energy: -104.538
bonds (distance) P-C4' energy: -109.843
flat angles C4'-P-C4' energy: -125.225
flat angles P-C4'-P energy: -86.434
tors. eta vs tors. theta energy: -165.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1826.907904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.907904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.907904 (E_RNA)
where:
Base-Base interactions energy: -1247.351
where: short stacking energy: -488.118
Base-Backbone interact. energy: -0.177
local terms energy: -579.380462
where:
bonds (distance) C4'-P energy: -106.089
bonds (distance) P-C4' energy: -113.368
flat angles C4'-P-C4' energy: -124.278
flat angles P-C4'-P energy: -86.649
tors. eta vs tors. theta energy: -148.996
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: 1
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1628.665509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.665509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.665509 (E_RNA)
where:
Base-Base interactions energy: -1084.080
where: short stacking energy: -453.586
Base-Backbone interact. energy: -2.909
local terms energy: -541.676459
where:
bonds (distance) C4'-P energy: -102.328
bonds (distance) P-C4' energy: -104.578
flat angles C4'-P-C4' energy: -118.414
flat angles P-C4'-P energy: -89.670
tors. eta vs tors. theta energy: -126.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -1562.695217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.695217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.695217 (E_RNA)
where:
Base-Base interactions energy: -1052.441
where: short stacking energy: -459.828
Base-Backbone interact. energy: 0.146
local terms energy: -510.400216
where:
bonds (distance) C4'-P energy: -95.437
bonds (distance) P-C4' energy: -111.034
flat angles C4'-P-C4' energy: -103.055
flat angles P-C4'-P energy: -70.888
tors. eta vs tors. theta energy: -129.985
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: 3
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1128.877167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.877167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.877167 (E_RNA)
where:
Base-Base interactions energy: -687.054
where: short stacking energy: -323.727
Base-Backbone interact. energy: -1.715
local terms energy: -440.108700
where:
bonds (distance) C4'-P energy: -90.892
bonds (distance) P-C4' energy: -103.948
flat angles C4'-P-C4' energy: -110.650
flat angles P-C4'-P energy: -63.675
tors. eta vs tors. theta energy: -70.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -1004.126721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.126721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.126721 (E_RNA)
where:
Base-Base interactions energy: -606.466
where: short stacking energy: -283.341
Base-Backbone interact. energy: 2.426
local terms energy: -400.086130
where:
bonds (distance) C4'-P energy: -98.027
bonds (distance) P-C4' energy: -101.905
flat angles C4'-P-C4' energy: -101.624
flat angles P-C4'-P energy: -51.966
tors. eta vs tors. theta energy: -46.565
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: 5
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -764.539919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.539919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.539919 (E_RNA)
where:
Base-Base interactions energy: -447.464
where: short stacking energy: -225.553
Base-Backbone interact. energy: 5.470
local terms energy: -322.546054
where:
bonds (distance) C4'-P energy: -84.417
bonds (distance) P-C4' energy: -91.812
flat angles C4'-P-C4' energy: -85.721
flat angles P-C4'-P energy: -44.063
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: 10, replica: 6
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -449.059017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.059017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.059017 (E_RNA)
where:
Base-Base interactions energy: -153.950
where: short stacking energy: -103.678
Base-Backbone interact. energy: -1.247
local terms energy: -293.862142
where:
bonds (distance) C4'-P energy: -101.615
bonds (distance) P-C4' energy: -105.239
flat angles C4'-P-C4' energy: -68.217
flat angles P-C4'-P energy: -46.406
tors. eta vs tors. theta energy: 27.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -2097.106250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.106250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.106250 (E_RNA)
where:
Base-Base interactions energy: -1434.510
where: short stacking energy: -632.589
Base-Backbone interact. energy: -0.910
local terms energy: -661.687115
where:
bonds (distance) C4'-P energy: -114.803
bonds (distance) P-C4' energy: -131.174
flat angles C4'-P-C4' energy: -142.120
flat angles P-C4'-P energy: -85.590
tors. eta vs tors. theta energy: -188.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1983.411995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.411995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.411995 (E_RNA)
where:
Base-Base interactions energy: -1386.783
where: short stacking energy: -557.781
Base-Backbone interact. energy: -1.954
local terms energy: -594.674499
where:
bonds (distance) C4'-P energy: -115.637
bonds (distance) P-C4' energy: -110.705
flat angles C4'-P-C4' energy: -115.605
flat angles P-C4'-P energy: -83.786
tors. eta vs tors. theta energy: -168.942
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: 219
Temperature: 1.000000
Total energy: -1928.163630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.163630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.163630 (E_RNA)
where:
Base-Base interactions energy: -1343.603
where: short stacking energy: -567.934
Base-Backbone interact. energy: -2.290
local terms energy: -582.271010
where:
bonds (distance) C4'-P energy: -101.473
bonds (distance) P-C4' energy: -111.070
flat angles C4'-P-C4' energy: -129.182
flat angles P-C4'-P energy: -71.294
tors. eta vs tors. theta energy: -169.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -1866.054090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.054090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.054090 (E_RNA)
where:
Base-Base interactions energy: -1297.797
where: short stacking energy: -508.984
Base-Backbone interact. energy: 9.206
local terms energy: -577.463222
where:
bonds (distance) C4'-P energy: -111.058
bonds (distance) P-C4' energy: -108.685
flat angles C4'-P-C4' energy: -121.882
flat angles P-C4'-P energy: -86.179
tors. eta vs tors. theta energy: -149.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1642.045574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.045574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.045574 (E_RNA)
where:
Base-Base interactions energy: -1110.237
where: short stacking energy: -464.239
Base-Backbone interact. energy: -1.875
local terms energy: -529.934258
where:
bonds (distance) C4'-P energy: -96.270
bonds (distance) P-C4' energy: -97.770
flat angles C4'-P-C4' energy: -112.943
flat angles P-C4'-P energy: -75.480
tors. eta vs tors. theta energy: -147.472
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: 10
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1576.100761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.100761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.100761 (E_RNA)
where:
Base-Base interactions energy: -1051.155
where: short stacking energy: -469.114
Base-Backbone interact. energy: 1.424
local terms energy: -526.369017
where:
bonds (distance) C4'-P energy: -110.003
bonds (distance) P-C4' energy: -102.777
flat angles C4'-P-C4' energy: -112.710
flat angles P-C4'-P energy: -76.965
tors. eta vs tors. theta energy: -123.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1107.350964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.350964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.350964 (E_RNA)
where:
Base-Base interactions energy: -680.371
where: short stacking energy: -321.462
Base-Backbone interact. energy: -2.070
local terms energy: -424.909848
where:
bonds (distance) C4'-P energy: -89.359
bonds (distance) P-C4' energy: -94.662
flat angles C4'-P-C4' energy: -94.539
flat angles P-C4'-P energy: -65.343
tors. eta vs tors. theta energy: -81.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -1028.816935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.816935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.816935 (E_RNA)
where:
Base-Base interactions energy: -606.887
where: short stacking energy: -322.150
Base-Backbone interact. energy: -1.583
local terms energy: -420.346970
where:
bonds (distance) C4'-P energy: -114.289
bonds (distance) P-C4' energy: -104.482
flat angles C4'-P-C4' energy: -101.242
flat angles P-C4'-P energy: -52.639
tors. eta vs tors. theta energy: -47.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -746.003453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.003453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.003453 (E_RNA)
where:
Base-Base interactions energy: -395.998
where: short stacking energy: -205.199
Base-Backbone interact. energy: 0.087
local terms energy: -350.092976
where:
bonds (distance) C4'-P energy: -103.564
bonds (distance) P-C4' energy: -78.512
flat angles C4'-P-C4' energy: -104.699
flat angles P-C4'-P energy: -39.792
tors. eta vs tors. theta energy: -23.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -507.119660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.119660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.119660 (E_RNA)
where:
Base-Base interactions energy: -204.598
where: short stacking energy: -141.402
Base-Backbone interact. energy: -1.899
local terms energy: -300.622060
where:
bonds (distance) C4'-P energy: -87.333
bonds (distance) P-C4' energy: -96.179
flat angles C4'-P-C4' energy: -87.762
flat angles P-C4'-P energy: -38.784
tors. eta vs tors. theta energy: 9.436
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: 8
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -2106.032194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.032194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.032194 (E_RNA)
where:
Base-Base interactions energy: -1439.303
where: short stacking energy: -633.868
Base-Backbone interact. energy: -0.587
local terms energy: -666.141667
where:
bonds (distance) C4'-P energy: -109.736
bonds (distance) P-C4' energy: -114.573
flat angles C4'-P-C4' energy: -143.812
flat angles P-C4'-P energy: -102.216
tors. eta vs tors. theta energy: -195.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -2017.565148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.565148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.565148 (E_RNA)
where:
Base-Base interactions energy: -1399.489
where: short stacking energy: -574.283
Base-Backbone interact. energy: -3.449
local terms energy: -614.626495
where:
bonds (distance) C4'-P energy: -105.254
bonds (distance) P-C4' energy: -108.824
flat angles C4'-P-C4' energy: -131.174
flat angles P-C4'-P energy: -98.165
tors. eta vs tors. theta energy: -171.210
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: 4
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1915.303935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.303935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.303935 (E_RNA)
where:
Base-Base interactions energy: -1330.172
where: short stacking energy: -538.213
Base-Backbone interact. energy: -0.244
local terms energy: -584.887690
where:
bonds (distance) C4'-P energy: -103.096
bonds (distance) P-C4' energy: -101.133
flat angles C4'-P-C4' energy: -134.303
flat angles P-C4'-P energy: -84.108
tors. eta vs tors. theta energy: -162.247
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: 9
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1824.108872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.108872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.108872 (E_RNA)
where:
Base-Base interactions energy: -1271.287
where: short stacking energy: -505.990
Base-Backbone interact. energy: -3.476
local terms energy: -549.345161
where:
bonds (distance) C4'-P energy: -103.418
bonds (distance) P-C4' energy: -101.455
flat angles C4'-P-C4' energy: -113.818
flat angles P-C4'-P energy: -82.253
tors. eta vs tors. theta energy: -148.401
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: 1
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1649.359892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.359892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.359892 (E_RNA)
where:
Base-Base interactions energy: -1081.597
where: short stacking energy: -470.971
Base-Backbone interact. energy: -1.475
local terms energy: -566.288095
where:
bonds (distance) C4'-P energy: -123.306
bonds (distance) P-C4' energy: -110.626
flat angles C4'-P-C4' energy: -118.885
flat angles P-C4'-P energy: -73.689
tors. eta vs tors. theta energy: -139.782
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: 10
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -1570.564672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.564672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.564672 (E_RNA)
where:
Base-Base interactions energy: -1053.154
where: short stacking energy: -430.119
Base-Backbone interact. energy: -2.919
local terms energy: -514.491363
where:
bonds (distance) C4'-P energy: -101.818
bonds (distance) P-C4' energy: -98.248
flat angles C4'-P-C4' energy: -118.301
flat angles P-C4'-P energy: -71.253
tors. eta vs tors. theta energy: -124.872
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: 3
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1074.850442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.850442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.850442 (E_RNA)
where:
Base-Base interactions energy: -622.458
where: short stacking energy: -283.020
Base-Backbone interact. energy: 0.263
local terms energy: -452.656340
where:
bonds (distance) C4'-P energy: -96.792
bonds (distance) P-C4' energy: -108.246
flat angles C4'-P-C4' energy: -106.458
flat angles P-C4'-P energy: -75.592
tors. eta vs tors. theta energy: -65.570
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: 2
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -1023.307352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.307352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.307352 (E_RNA)
where:
Base-Base interactions energy: -640.699
where: short stacking energy: -290.322
Base-Backbone interact. energy: 5.462
local terms energy: -388.070516
where:
bonds (distance) C4'-P energy: -75.053
bonds (distance) P-C4' energy: -103.361
flat angles C4'-P-C4' energy: -101.110
flat angles P-C4'-P energy: -55.583
tors. eta vs tors. theta energy: -52.963
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: 5
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -753.590616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.590616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.590616 (E_RNA)
where:
Base-Base interactions energy: -381.187
where: short stacking energy: -219.402
Base-Backbone interact. energy: -1.891
local terms energy: -370.512676
where:
bonds (distance) C4'-P energy: -97.079
bonds (distance) P-C4' energy: -105.378
flat angles C4'-P-C4' energy: -101.070
flat angles P-C4'-P energy: -47.588
tors. eta vs tors. theta energy: -19.397
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: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -491.329366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.329366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.329366 (E_RNA)
where:
Base-Base interactions energy: -172.105
where: short stacking energy: -130.117
Base-Backbone interact. energy: 2.589
local terms energy: -321.812888
where:
bonds (distance) C4'-P energy: -89.044
bonds (distance) P-C4' energy: -108.605
flat angles C4'-P-C4' energy: -77.333
flat angles P-C4'-P energy: -50.345
tors. eta vs tors. theta energy: 3.513
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: 8
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -2095.244958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.244958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.244958 (E_RNA)
where:
Base-Base interactions energy: -1447.607
where: short stacking energy: -597.224
Base-Backbone interact. energy: -1.085
local terms energy: -646.553087
where:
bonds (distance) C4'-P energy: -122.292
bonds (distance) P-C4' energy: -121.156
flat angles C4'-P-C4' energy: -133.629
flat angles P-C4'-P energy: -89.050
tors. eta vs tors. theta energy: -180.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -2023.335466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.335466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.335466 (E_RNA)
where:
Base-Base interactions energy: -1400.994
where: short stacking energy: -571.533
Base-Backbone interact. energy: -2.624
local terms energy: -619.718247
where:
bonds (distance) C4'-P energy: -117.363
bonds (distance) P-C4' energy: -117.697
flat angles C4'-P-C4' energy: -123.731
flat angles P-C4'-P energy: -88.374
tors. eta vs tors. theta energy: -172.553
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: 4
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1897.829527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.829527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.829527 (E_RNA)
where:
Base-Base interactions energy: -1297.463
where: short stacking energy: -542.585
Base-Backbone interact. energy: -2.710
local terms energy: -597.656568
where:
bonds (distance) C4'-P energy: -106.304
bonds (distance) P-C4' energy: -120.435
flat angles C4'-P-C4' energy: -140.267
flat angles P-C4'-P energy: -76.602
tors. eta vs tors. theta energy: -154.050
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: 9
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1834.014497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.014497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.014497 (E_RNA)
where:
Base-Base interactions energy: -1285.053
where: short stacking energy: -526.097
Base-Backbone interact. energy: -1.329
local terms energy: -547.632054
where:
bonds (distance) C4'-P energy: -106.207
bonds (distance) P-C4' energy: -110.332
flat angles C4'-P-C4' energy: -119.677
flat angles P-C4'-P energy: -79.625
tors. eta vs tors. theta energy: -131.791
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: 5, replica: 1
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1600.785849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.785849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.785849 (E_RNA)
where:
Base-Base interactions energy: -1080.263
where: short stacking energy: -475.603
Base-Backbone interact. energy: -1.655
local terms energy: -518.867570
where:
bonds (distance) C4'-P energy: -88.181
bonds (distance) P-C4' energy: -112.432
flat angles C4'-P-C4' energy: -103.422
flat angles P-C4'-P energy: -78.580
tors. eta vs tors. theta energy: -136.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1484.299653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.299653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.299653 (E_RNA)
where:
Base-Base interactions energy: -989.824
where: short stacking energy: -431.916
Base-Backbone interact. energy: 3.526
local terms energy: -498.001650
where:
bonds (distance) C4'-P energy: -96.561
bonds (distance) P-C4' energy: -105.969
flat angles C4'-P-C4' energy: -112.006
flat angles P-C4'-P energy: -68.833
tors. eta vs tors. theta energy: -114.632
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: 3
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -1026.493529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.493529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.493529 (E_RNA)
where:
Base-Base interactions energy: -608.211
where: short stacking energy: -305.425
Base-Backbone interact. energy: -2.648
local terms energy: -415.634421
where:
bonds (distance) C4'-P energy: -98.725
bonds (distance) P-C4' energy: -111.591
flat angles C4'-P-C4' energy: -98.766
flat angles P-C4'-P energy: -52.602
tors. eta vs tors. theta energy: -53.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -1002.130242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.130242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.130242 (E_RNA)
where:
Base-Base interactions energy: -600.644
where: short stacking energy: -302.311
Base-Backbone interact. energy: -0.964
local terms energy: -400.522293
where:
bonds (distance) C4'-P energy: -92.408
bonds (distance) P-C4' energy: -105.884
flat angles C4'-P-C4' energy: -93.247
flat angles P-C4'-P energy: -57.036
tors. eta vs tors. theta energy: -51.947
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: 9, replica: 5
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -752.330116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.330116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.330116 (E_RNA)
where:
Base-Base interactions energy: -426.484
where: short stacking energy: -220.350
Base-Backbone interact. energy: 4.785
local terms energy: -330.631069
where:
bonds (distance) C4'-P energy: -90.140
bonds (distance) P-C4' energy: -101.897
flat angles C4'-P-C4' energy: -67.858
flat angles P-C4'-P energy: -45.934
tors. eta vs tors. theta energy: -24.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -463.898092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.898092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.898092 (E_RNA)
where:
Base-Base interactions energy: -169.225
where: short stacking energy: -105.579
Base-Backbone interact. energy: 3.340
local terms energy: -298.012650
where:
bonds (distance) C4'-P energy: -88.153
bonds (distance) P-C4' energy: -101.088
flat angles C4'-P-C4' energy: -82.767
flat angles P-C4'-P energy: -51.979
tors. eta vs tors. theta energy: 25.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -2067.717690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.717690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.717690 (E_RNA)
where:
Base-Base interactions energy: -1416.443
where: short stacking energy: -594.033
Base-Backbone interact. energy: 0.764
local terms energy: -652.039036
where:
bonds (distance) C4'-P energy: -114.255
bonds (distance) P-C4' energy: -112.219
flat angles C4'-P-C4' energy: -133.387
flat angles P-C4'-P energy: -103.428
tors. eta vs tors. theta energy: -188.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -2036.021376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.021376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.021376 (E_RNA)
where:
Base-Base interactions energy: -1432.006
where: short stacking energy: -598.813
Base-Backbone interact. energy: 1.525
local terms energy: -605.540505
where:
bonds (distance) C4'-P energy: -102.024
bonds (distance) P-C4' energy: -106.776
flat angles C4'-P-C4' energy: -126.797
flat angles P-C4'-P energy: -91.637
tors. eta vs tors. theta energy: -178.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1896.546853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.546853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.546853 (E_RNA)
where:
Base-Base interactions energy: -1311.504
where: short stacking energy: -558.402
Base-Backbone interact. energy: -2.877
local terms energy: -582.166549
where:
bonds (distance) C4'-P energy: -98.038
bonds (distance) P-C4' energy: -115.841
flat angles C4'-P-C4' energy: -122.113
flat angles P-C4'-P energy: -82.450
tors. eta vs tors. theta energy: -163.724
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: 4, replica: 4
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1817.520237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.520237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.520237 (E_RNA)
where:
Base-Base interactions energy: -1256.532
where: short stacking energy: -521.673
Base-Backbone interact. energy: 0.278
local terms energy: -561.266349
where:
bonds (distance) C4'-P energy: -110.808
bonds (distance) P-C4' energy: -99.520
flat angles C4'-P-C4' energy: -132.444
flat angles P-C4'-P energy: -72.743
tors. eta vs tors. theta energy: -145.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1661.016395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.016395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.016395 (E_RNA)
where:
Base-Base interactions energy: -1127.841
where: short stacking energy: -492.716
Base-Backbone interact. energy: 2.331
local terms energy: -535.506654
where:
bonds (distance) C4'-P energy: -93.810
bonds (distance) P-C4' energy: -99.633
flat angles C4'-P-C4' energy: -124.885
flat angles P-C4'-P energy: -69.415
tors. eta vs tors. theta energy: -147.763
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: 10
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1507.587781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.587781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.587781 (E_RNA)
where:
Base-Base interactions energy: -1013.736
where: short stacking energy: -439.677
Base-Backbone interact. energy: 0.815
local terms energy: -494.666080
where:
bonds (distance) C4'-P energy: -90.188
bonds (distance) P-C4' energy: -107.335
flat angles C4'-P-C4' energy: -109.574
flat angles P-C4'-P energy: -66.810
tors. eta vs tors. theta energy: -120.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1074.303491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.303491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.303491 (E_RNA)
where:
Base-Base interactions energy: -654.306
where: short stacking energy: -309.530
Base-Backbone interact. energy: -1.429
local terms energy: -418.568617
where:
bonds (distance) C4'-P energy: -98.207
bonds (distance) P-C4' energy: -91.308
flat angles C4'-P-C4' energy: -95.832
flat angles P-C4'-P energy: -71.705
tors. eta vs tors. theta energy: -61.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -1040.765980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.765980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.765980 (E_RNA)
where:
Base-Base interactions energy: -612.459
where: short stacking energy: -281.354
Base-Backbone interact. energy: -3.856
local terms energy: -424.451162
where:
bonds (distance) C4'-P energy: -94.480
bonds (distance) P-C4' energy: -91.907
flat angles C4'-P-C4' energy: -102.924
flat angles P-C4'-P energy: -80.172
tors. eta vs tors. theta energy: -54.969
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: 5
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -759.667323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.667323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.667323 (E_RNA)
where:
Base-Base interactions energy: -391.500
where: short stacking energy: -195.348
Base-Backbone interact. energy: 0.353
local terms energy: -368.520664
where:
bonds (distance) C4'-P energy: -95.962
bonds (distance) P-C4' energy: -98.053
flat angles C4'-P-C4' energy: -75.202
flat angles P-C4'-P energy: -67.986
tors. eta vs tors. theta energy: -31.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -469.138356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.138356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.138356 (E_RNA)
where:
Base-Base interactions energy: -151.431
where: short stacking energy: -138.701
Base-Backbone interact. energy: 3.456
local terms energy: -321.163340
where:
bonds (distance) C4'-P energy: -95.913
bonds (distance) P-C4' energy: -106.230
flat angles C4'-P-C4' energy: -95.003
flat angles P-C4'-P energy: -33.573
tors. eta vs tors. theta energy: 9.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -2079.429391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.429391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.429391 (E_RNA)
where:
Base-Base interactions energy: -1415.681
where: short stacking energy: -612.312
Base-Backbone interact. energy: -1.360
local terms energy: -662.389074
where:
bonds (distance) C4'-P energy: -117.144
bonds (distance) P-C4' energy: -124.716
flat angles C4'-P-C4' energy: -139.927
flat angles P-C4'-P energy: -100.321
tors. eta vs tors. theta energy: -180.281
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: 7
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -2042.693161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.693161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.693161 (E_RNA)
where:
Base-Base interactions energy: -1408.756
where: short stacking energy: -605.479
Base-Backbone interact. energy: -2.737
local terms energy: -631.200643
where:
bonds (distance) C4'-P energy: -120.230
bonds (distance) P-C4' energy: -104.367
flat angles C4'-P-C4' energy: -131.171
flat angles P-C4'-P energy: -86.183
tors. eta vs tors. theta energy: -189.249
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: 9
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1913.871282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.871282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.871282 (E_RNA)
where:
Base-Base interactions energy: -1324.103
where: short stacking energy: -560.308
Base-Backbone interact. energy: -2.862
local terms energy: -586.906916
where:
bonds (distance) C4'-P energy: -96.953
bonds (distance) P-C4' energy: -118.889
flat angles C4'-P-C4' energy: -135.778
flat angles P-C4'-P energy: -81.275
tors. eta vs tors. theta energy: -154.013
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: 4
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -1860.613238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.613238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.613238 (E_RNA)
where:
Base-Base interactions energy: -1266.469
where: short stacking energy: -523.503
Base-Backbone interact. energy: -4.231
local terms energy: -589.913445
where:
bonds (distance) C4'-P energy: -108.766
bonds (distance) P-C4' energy: -123.619
flat angles C4'-P-C4' energy: -121.469
flat angles P-C4'-P energy: -78.830
tors. eta vs tors. theta energy: -157.230
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: 1
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -1636.016866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.016866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.016866 (E_RNA)
where:
Base-Base interactions energy: -1110.034
where: short stacking energy: -472.163
Base-Backbone interact. energy: -4.076
local terms energy: -521.906866
where:
bonds (distance) C4'-P energy: -97.504
bonds (distance) P-C4' energy: -94.620
flat angles C4'-P-C4' energy: -118.509
flat angles P-C4'-P energy: -83.581
tors. eta vs tors. theta energy: -127.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1527.464015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.464015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.464015 (E_RNA)
where:
Base-Base interactions energy: -1007.761
where: short stacking energy: -447.976
Base-Backbone interact. energy: -2.895
local terms energy: -516.808566
where:
bonds (distance) C4'-P energy: -90.286
bonds (distance) P-C4' energy: -105.328
flat angles C4'-P-C4' energy: -112.251
flat angles P-C4'-P energy: -81.867
tors. eta vs tors. theta energy: -127.078
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: 3
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1114.603151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.603151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.603151 (E_RNA)
where:
Base-Base interactions energy: -694.745
where: short stacking energy: -343.129
Base-Backbone interact. energy: -2.347
local terms energy: -417.511003
where:
bonds (distance) C4'-P energy: -85.802
bonds (distance) P-C4' energy: -118.223
flat angles C4'-P-C4' energy: -91.685
flat angles P-C4'-P energy: -41.715
tors. eta vs tors. theta energy: -80.086
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: 2
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -944.488178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.488178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.488178 (E_RNA)
where:
Base-Base interactions energy: -567.630
where: short stacking energy: -276.272
Base-Backbone interact. energy: -3.150
local terms energy: -373.708602
where:
bonds (distance) C4'-P energy: -90.735
bonds (distance) P-C4' energy: -88.733
flat angles C4'-P-C4' energy: -77.951
flat angles P-C4'-P energy: -64.866
tors. eta vs tors. theta energy: -51.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -795.562884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.562884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.562884 (E_RNA)
where:
Base-Base interactions energy: -446.367
where: short stacking energy: -230.055
Base-Backbone interact. energy: -0.054
local terms energy: -349.142537
where:
bonds (distance) C4'-P energy: -84.433
bonds (distance) P-C4' energy: -98.687
flat angles C4'-P-C4' energy: -97.254
flat angles P-C4'-P energy: -40.398
tors. eta vs tors. theta energy: -28.371
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: 6
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -483.499004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.499004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.499004 (E_RNA)
where:
Base-Base interactions energy: -181.288
where: short stacking energy: -121.654
Base-Backbone interact. energy: -1.209
local terms energy: -301.002036
where:
bonds (distance) C4'-P energy: -91.644
bonds (distance) P-C4' energy: -97.231
flat angles C4'-P-C4' energy: -83.438
flat angles P-C4'-P energy: -47.540
tors. eta vs tors. theta energy: 18.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -2084.852559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.852559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.852559 (E_RNA)
where:
Base-Base interactions energy: -1410.329
where: short stacking energy: -590.553
Base-Backbone interact. energy: -3.410
local terms energy: -671.113211
where:
bonds (distance) C4'-P energy: -119.658
bonds (distance) P-C4' energy: -127.439
flat angles C4'-P-C4' energy: -137.161
flat angles P-C4'-P energy: -99.339
tors. eta vs tors. theta energy: -187.516
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: 2, replica: 7
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -2030.932097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.932097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.932097 (E_RNA)
where:
Base-Base interactions energy: -1408.527
where: short stacking energy: -586.007
Base-Backbone interact. energy: 0.417
local terms energy: -622.822658
where:
bonds (distance) C4'-P energy: -109.783
bonds (distance) P-C4' energy: -117.131
flat angles C4'-P-C4' energy: -129.429
flat angles P-C4'-P energy: -81.276
tors. eta vs tors. theta energy: -185.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1894.877618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.877618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.877618 (E_RNA)
where:
Base-Base interactions energy: -1296.883
where: short stacking energy: -514.340
Base-Backbone interact. energy: -2.365
local terms energy: -595.628731
where:
bonds (distance) C4'-P energy: -105.051
bonds (distance) P-C4' energy: -111.869
flat angles C4'-P-C4' energy: -134.033
flat angles P-C4'-P energy: -89.053
tors. eta vs tors. theta energy: -155.623
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: 4
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -1792.241159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.241159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.241159 (E_RNA)
where:
Base-Base interactions energy: -1225.473
where: short stacking energy: -513.088
Base-Backbone interact. energy: -4.151
local terms energy: -562.616914
where:
bonds (distance) C4'-P energy: -106.703
bonds (distance) P-C4' energy: -99.596
flat angles C4'-P-C4' energy: -120.634
flat angles P-C4'-P energy: -82.848
tors. eta vs tors. theta energy: -152.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -1589.974416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.974416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.974416 (E_RNA)
where:
Base-Base interactions energy: -1075.655
where: short stacking energy: -435.435
Base-Backbone interact. energy: -2.509
local terms energy: -511.810126
where:
bonds (distance) C4'-P energy: -117.491
bonds (distance) P-C4' energy: -87.761
flat angles C4'-P-C4' energy: -107.525
flat angles P-C4'-P energy: -73.277
tors. eta vs tors. theta energy: -125.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1473.648758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.648758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.648758 (E_RNA)
where:
Base-Base interactions energy: -966.427
where: short stacking energy: -402.469
Base-Backbone interact. energy: -1.747
local terms energy: -505.474670
where:
bonds (distance) C4'-P energy: -112.323
bonds (distance) P-C4' energy: -101.626
flat angles C4'-P-C4' energy: -116.862
flat angles P-C4'-P energy: -69.298
tors. eta vs tors. theta energy: -105.366
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: 3
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -1157.947268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.947268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.947268 (E_RNA)
where:
Base-Base interactions energy: -695.366
where: short stacking energy: -308.857
Base-Backbone interact. energy: -1.383
local terms energy: -461.198659
where:
bonds (distance) C4'-P energy: -105.024
bonds (distance) P-C4' energy: -109.582
flat angles C4'-P-C4' energy: -114.679
flat angles P-C4'-P energy: -66.701
tors. eta vs tors. theta energy: -65.212
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: 2
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -898.317058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.317058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.317058 (E_RNA)
where:
Base-Base interactions energy: -523.780
where: short stacking energy: -270.682
Base-Backbone interact. energy: -2.519
local terms energy: -372.018585
where:
bonds (distance) C4'-P energy: -85.454
bonds (distance) P-C4' energy: -89.535
flat angles C4'-P-C4' energy: -99.506
flat angles P-C4'-P energy: -48.835
tors. eta vs tors. theta energy: -48.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -773.828207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.828207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.828207 (E_RNA)
where:
Base-Base interactions energy: -407.991
where: short stacking energy: -222.043
Base-Backbone interact. energy: 3.850
local terms energy: -369.687239
where:
bonds (distance) C4'-P energy: -106.704
bonds (distance) P-C4' energy: -99.377
flat angles C4'-P-C4' energy: -88.782
flat angles P-C4'-P energy: -44.735
tors. eta vs tors. theta energy: -30.089
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: 6
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -487.386804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.386804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.386804 (E_RNA)
where:
Base-Base interactions energy: -197.122
where: short stacking energy: -127.052
Base-Backbone interact. energy: 2.492
local terms energy: -292.757114
where:
bonds (distance) C4'-P energy: -76.893
bonds (distance) P-C4' energy: -105.329
flat angles C4'-P-C4' energy: -80.803
flat angles P-C4'-P energy: -56.426
tors. eta vs tors. theta energy: 26.693
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: 8
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -2074.436444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.436444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.436444 (E_RNA)
where:
Base-Base interactions energy: -1408.855
where: short stacking energy: -606.118
Base-Backbone interact. energy: -2.584
local terms energy: -662.996765
where:
bonds (distance) C4'-P energy: -114.349
bonds (distance) P-C4' energy: -124.211
flat angles C4'-P-C4' energy: -141.956
flat angles P-C4'-P energy: -87.397
tors. eta vs tors. theta energy: -195.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -2033.800172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.800172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.800172 (E_RNA)
where:
Base-Base interactions energy: -1393.323
where: short stacking energy: -582.321
Base-Backbone interact. energy: -3.150
local terms energy: -637.326654
where:
bonds (distance) C4'-P energy: -106.871
bonds (distance) P-C4' energy: -127.357
flat angles C4'-P-C4' energy: -132.477
flat angles P-C4'-P energy: -79.683
tors. eta vs tors. theta energy: -190.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1880.036839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.036839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.036839 (E_RNA)
where:
Base-Base interactions energy: -1302.743
where: short stacking energy: -528.487
Base-Backbone interact. energy: -3.599
local terms energy: -573.695019
where:
bonds (distance) C4'-P energy: -105.194
bonds (distance) P-C4' energy: -107.542
flat angles C4'-P-C4' energy: -128.419
flat angles P-C4'-P energy: -79.627
tors. eta vs tors. theta energy: -152.912
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: 225
Temperature: 1.050000
Total energy: -1810.100180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.100180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.100180 (E_RNA)
where:
Base-Base interactions energy: -1254.970
where: short stacking energy: -511.287
Base-Backbone interact. energy: -1.774
local terms energy: -553.356503
where:
bonds (distance) C4'-P energy: -116.246
bonds (distance) P-C4' energy: -107.340
flat angles C4'-P-C4' energy: -107.508
flat angles P-C4'-P energy: -73.630
tors. eta vs tors. theta energy: -148.632
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: 1
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -1600.199372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.199372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.199372 (E_RNA)
where:
Base-Base interactions energy: -1092.021
where: short stacking energy: -449.395
Base-Backbone interact. energy: -2.331
local terms energy: -505.847310
where:
bonds (distance) C4'-P energy: -85.295
bonds (distance) P-C4' energy: -95.245
flat angles C4'-P-C4' energy: -112.405
flat angles P-C4'-P energy: -86.754
tors. eta vs tors. theta energy: -126.147
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: 10
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -1463.473227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.473227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.473227 (E_RNA)
where:
Base-Base interactions energy: -944.118
where: short stacking energy: -420.344
Base-Backbone interact. energy: -0.617
local terms energy: -518.738404
where:
bonds (distance) C4'-P energy: -107.214
bonds (distance) P-C4' energy: -117.885
flat angles C4'-P-C4' energy: -113.616
flat angles P-C4'-P energy: -73.120
tors. eta vs tors. theta energy: -106.904
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: 3
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -1134.532401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.532401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.532401 (E_RNA)
where:
Base-Base interactions energy: -727.869
where: short stacking energy: -340.062
Base-Backbone interact. energy: 1.116
local terms energy: -407.779723
where:
bonds (distance) C4'-P energy: -84.220
bonds (distance) P-C4' energy: -95.419
flat angles C4'-P-C4' energy: -101.430
flat angles P-C4'-P energy: -62.843
tors. eta vs tors. theta energy: -63.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -896.030343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.030343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.030343 (E_RNA)
where:
Base-Base interactions energy: -501.072
where: short stacking energy: -251.515
Base-Backbone interact. energy: 1.501
local terms energy: -396.460100
where:
bonds (distance) C4'-P energy: -92.116
bonds (distance) P-C4' energy: -106.333
flat angles C4'-P-C4' energy: -99.759
flat angles P-C4'-P energy: -65.855
tors. eta vs tors. theta energy: -32.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -783.132405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.132405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.132405 (E_RNA)
where:
Base-Base interactions energy: -421.067
where: short stacking energy: -214.563
Base-Backbone interact. energy: -3.003
local terms energy: -359.062295
where:
bonds (distance) C4'-P energy: -89.215
bonds (distance) P-C4' energy: -115.638
flat angles C4'-P-C4' energy: -90.830
flat angles P-C4'-P energy: -49.455
tors. eta vs tors. theta energy: -13.923
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: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -466.949203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.949203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.949203 (E_RNA)
where:
Base-Base interactions energy: -202.778
where: short stacking energy: -136.356
Base-Backbone interact. energy: -1.013
local terms energy: -263.157474
where:
bonds (distance) C4'-P energy: -80.128
bonds (distance) P-C4' energy: -104.012
flat angles C4'-P-C4' energy: -73.163
flat angles P-C4'-P energy: -25.732
tors. eta vs tors. theta energy: 19.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -2092.722423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.722423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.722423 (E_RNA)
where:
Base-Base interactions energy: -1433.796
where: short stacking energy: -595.738
Base-Backbone interact. energy: -2.161
local terms energy: -656.764604
where:
bonds (distance) C4'-P energy: -114.462
bonds (distance) P-C4' energy: -125.538
flat angles C4'-P-C4' energy: -133.901
flat angles P-C4'-P energy: -95.181
tors. eta vs tors. theta energy: -187.683
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: 7
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -2025.635286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.635286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.635286 (E_RNA)
where:
Base-Base interactions energy: -1415.540
where: short stacking energy: -572.112
Base-Backbone interact. energy: -2.790
local terms energy: -607.305952
where:
bonds (distance) C4'-P energy: -125.911
bonds (distance) P-C4' energy: -104.843
flat angles C4'-P-C4' energy: -124.618
flat angles P-C4'-P energy: -78.320
tors. eta vs tors. theta energy: -173.613
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: 3, replica: 9
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -1841.925037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.925037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.925037 (E_RNA)
where:
Base-Base interactions energy: -1258.545
where: short stacking energy: -525.292
Base-Backbone interact. energy: -1.236
local terms energy: -582.143703
where:
bonds (distance) C4'-P energy: -113.525
bonds (distance) P-C4' energy: -115.754
flat angles C4'-P-C4' energy: -119.940
flat angles P-C4'-P energy: -81.131
tors. eta vs tors. theta energy: -151.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -1797.971046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.971046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.971046 (E_RNA)
where:
Base-Base interactions energy: -1219.880
where: short stacking energy: -523.937
Base-Backbone interact. energy: -3.235
local terms energy: -574.856533
where:
bonds (distance) C4'-P energy: -100.467
bonds (distance) P-C4' energy: -106.120
flat angles C4'-P-C4' energy: -117.412
flat angles P-C4'-P energy: -84.269
tors. eta vs tors. theta energy: -166.588
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: 1
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -1616.657961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.657961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.657961 (E_RNA)
where:
Base-Base interactions energy: -1082.103
where: short stacking energy: -465.864
Base-Backbone interact. energy: -2.796
local terms energy: -531.758560
where:
bonds (distance) C4'-P energy: -118.527
bonds (distance) P-C4' energy: -90.775
flat angles C4'-P-C4' energy: -123.818
flat angles P-C4'-P energy: -67.140
tors. eta vs tors. theta energy: -131.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -1514.218705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.218705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.218705 (E_RNA)
where:
Base-Base interactions energy: -1010.570
where: short stacking energy: -451.468
Base-Backbone interact. energy: -0.487
local terms energy: -503.161072
where:
bonds (distance) C4'-P energy: -105.120
bonds (distance) P-C4' energy: -119.477
flat angles C4'-P-C4' energy: -117.406
flat angles P-C4'-P energy: -46.659
tors. eta vs tors. theta energy: -114.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1067.852751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.852751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.852751 (E_RNA)
where:
Base-Base interactions energy: -628.590
where: short stacking energy: -299.605
Base-Backbone interact. energy: -2.448
local terms energy: -436.814834
where:
bonds (distance) C4'-P energy: -107.652
bonds (distance) P-C4' energy: -102.760
flat angles C4'-P-C4' energy: -109.014
flat angles P-C4'-P energy: -61.446
tors. eta vs tors. theta energy: -55.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -933.543870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.543870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.543870 (E_RNA)
where:
Base-Base interactions energy: -535.059
where: short stacking energy: -281.106
Base-Backbone interact. energy: 7.413
local terms energy: -405.898478
where:
bonds (distance) C4'-P energy: -109.983
bonds (distance) P-C4' energy: -100.322
flat angles C4'-P-C4' energy: -98.446
flat angles P-C4'-P energy: -49.955
tors. eta vs tors. theta energy: -47.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -783.471179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.471179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.471179 (E_RNA)
where:
Base-Base interactions energy: -431.445
where: short stacking energy: -221.100
Base-Backbone interact. energy: -0.328
local terms energy: -351.698324
where:
bonds (distance) C4'-P energy: -89.410
bonds (distance) P-C4' energy: -101.895
flat angles C4'-P-C4' energy: -103.342
flat angles P-C4'-P energy: -43.740
tors. eta vs tors. theta energy: -13.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -464.658111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.658111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.658111 (E_RNA)
where:
Base-Base interactions energy: -180.601
where: short stacking energy: -137.629
Base-Backbone interact. energy: -1.751
local terms energy: -282.305748
where:
bonds (distance) C4'-P energy: -68.464
bonds (distance) P-C4' energy: -101.904
flat angles C4'-P-C4' energy: -85.877
flat angles P-C4'-P energy: -51.449
tors. eta vs tors. theta energy: 25.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -2091.794896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.794896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.794896 (E_RNA)
where:
Base-Base interactions energy: -1445.947
where: short stacking energy: -612.204
Base-Backbone interact. energy: -3.267
local terms energy: -642.580985
where:
bonds (distance) C4'-P energy: -109.382
bonds (distance) P-C4' energy: -127.128
flat angles C4'-P-C4' energy: -136.139
flat angles P-C4'-P energy: -86.424
tors. eta vs tors. theta energy: -183.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -2013.690035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.690035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.690035 (E_RNA)
where:
Base-Base interactions energy: -1396.469
where: short stacking energy: -577.598
Base-Backbone interact. energy: -3.570
local terms energy: -613.651617
where:
bonds (distance) C4'-P energy: -115.461
bonds (distance) P-C4' energy: -107.469
flat angles C4'-P-C4' energy: -120.408
flat angles P-C4'-P energy: -87.350
tors. eta vs tors. theta energy: -182.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -1876.547518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.547518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.547518 (E_RNA)
where:
Base-Base interactions energy: -1322.170
where: short stacking energy: -554.256
Base-Backbone interact. energy: -1.839
local terms energy: -552.538695
where:
bonds (distance) C4'-P energy: -110.707
bonds (distance) P-C4' energy: -96.208
flat angles C4'-P-C4' energy: -127.763
flat angles P-C4'-P energy: -64.600
tors. eta vs tors. theta energy: -153.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -1825.917934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.917934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.917934 (E_RNA)
where:
Base-Base interactions energy: -1244.212
where: short stacking energy: -504.818
Base-Backbone interact. energy: -2.290
local terms energy: -579.416525
where:
bonds (distance) C4'-P energy: -125.767
bonds (distance) P-C4' energy: -105.395
flat angles C4'-P-C4' energy: -125.652
flat angles P-C4'-P energy: -75.988
tors. eta vs tors. theta energy: -146.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -1659.173464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.173464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.173464 (E_RNA)
where:
Base-Base interactions energy: -1109.544
where: short stacking energy: -495.794
Base-Backbone interact. energy: 0.750
local terms energy: -550.380330
where:
bonds (distance) C4'-P energy: -110.664
bonds (distance) P-C4' energy: -106.241
flat angles C4'-P-C4' energy: -110.880
flat angles P-C4'-P energy: -80.564
tors. eta vs tors. theta energy: -142.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1493.336119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.336119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.336119 (E_RNA)
where:
Base-Base interactions energy: -1005.563
where: short stacking energy: -449.887
Base-Backbone interact. energy: -3.168
local terms energy: -484.604963
where:
bonds (distance) C4'-P energy: -99.150
bonds (distance) P-C4' energy: -88.900
flat angles C4'-P-C4' energy: -105.973
flat angles P-C4'-P energy: -72.211
tors. eta vs tors. theta energy: -118.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1146.143612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.143612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.143612 (E_RNA)
where:
Base-Base interactions energy: -713.910
where: short stacking energy: -326.284
Base-Backbone interact. energy: 2.381
local terms energy: -434.614340
where:
bonds (distance) C4'-P energy: -112.975
bonds (distance) P-C4' energy: -101.634
flat angles C4'-P-C4' energy: -105.882
flat angles P-C4'-P energy: -52.968
tors. eta vs tors. theta energy: -61.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -927.297406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.297406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.297406 (E_RNA)
where:
Base-Base interactions energy: -522.976
where: short stacking energy: -239.275
Base-Backbone interact. energy: 2.195
local terms energy: -406.516606
where:
bonds (distance) C4'-P energy: -99.944
bonds (distance) P-C4' energy: -108.333
flat angles C4'-P-C4' energy: -99.872
flat angles P-C4'-P energy: -63.923
tors. eta vs tors. theta energy: -34.445
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: 227
Temperature: 1.300000
Total energy: -804.417737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.417737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.417737 (E_RNA)
where:
Base-Base interactions energy: -408.886
where: short stacking energy: -201.993
Base-Backbone interact. energy: -1.513
local terms energy: -394.018759
where:
bonds (distance) C4'-P energy: -120.475
bonds (distance) P-C4' energy: -102.680
flat angles C4'-P-C4' energy: -78.400
flat angles P-C4'-P energy: -75.054
tors. eta vs tors. theta energy: -17.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -477.246559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.246559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.246559 (E_RNA)
where:
Base-Base interactions energy: -193.930
where: short stacking energy: -150.387
Base-Backbone interact. energy: 7.914
local terms energy: -291.230378
where:
bonds (distance) C4'-P energy: -79.483
bonds (distance) P-C4' energy: -91.881
flat angles C4'-P-C4' energy: -82.897
flat angles P-C4'-P energy: -46.859
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: 8
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -2083.575891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.575891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.575891 (E_RNA)
where:
Base-Base interactions energy: -1435.892
where: short stacking energy: -598.118
Base-Backbone interact. energy: -2.956
local terms energy: -644.727772
where:
bonds (distance) C4'-P energy: -103.139
bonds (distance) P-C4' energy: -126.635
flat angles C4'-P-C4' energy: -142.518
flat angles P-C4'-P energy: -85.714
tors. eta vs tors. theta energy: -186.722
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: 228
Temperature: 0.950000
Total energy: -2015.861568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.861568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.861568 (E_RNA)
where:
Base-Base interactions energy: -1414.935
where: short stacking energy: -581.749
Base-Backbone interact. energy: -4.399
local terms energy: -596.527376
where:
bonds (distance) C4'-P energy: -109.001
bonds (distance) P-C4' energy: -122.027
flat angles C4'-P-C4' energy: -115.845
flat angles P-C4'-P energy: -78.697
tors. eta vs tors. theta energy: -170.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1881.192487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.192487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.192487 (E_RNA)
where:
Base-Base interactions energy: -1288.083
where: short stacking energy: -526.504
Base-Backbone interact. energy: -1.813
local terms energy: -591.295893
where:
bonds (distance) C4'-P energy: -101.393
bonds (distance) P-C4' energy: -123.426
flat angles C4'-P-C4' energy: -133.283
flat angles P-C4'-P energy: -73.729
tors. eta vs tors. theta energy: -159.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -1792.607554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.607554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.607554 (E_RNA)
where:
Base-Base interactions energy: -1207.660
where: short stacking energy: -478.841
Base-Backbone interact. energy: -4.870
local terms energy: -580.078018
where:
bonds (distance) C4'-P energy: -106.290
bonds (distance) P-C4' energy: -124.152
flat angles C4'-P-C4' energy: -127.315
flat angles P-C4'-P energy: -85.543
tors. eta vs tors. theta energy: -136.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1659.845151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.845151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.845151 (E_RNA)
where:
Base-Base interactions energy: -1119.021
where: short stacking energy: -473.712
Base-Backbone interact. energy: -0.718
local terms energy: -540.106296
where:
bonds (distance) C4'-P energy: -104.544
bonds (distance) P-C4' energy: -103.227
flat angles C4'-P-C4' energy: -114.889
flat angles P-C4'-P energy: -81.709
tors. eta vs tors. theta energy: -135.736
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: 10
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1504.747594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.747594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.747594 (E_RNA)
where:
Base-Base interactions energy: -1009.774
where: short stacking energy: -439.705
Base-Backbone interact. energy: -2.026
local terms energy: -492.947594
where:
bonds (distance) C4'-P energy: -97.503
bonds (distance) P-C4' energy: -103.750
flat angles C4'-P-C4' energy: -113.077
flat angles P-C4'-P energy: -70.612
tors. eta vs tors. theta energy: -108.005
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: 7, replica: 3
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1215.072475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.072475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.072475 (E_RNA)
where:
Base-Base interactions energy: -757.771
where: short stacking energy: -368.925
Base-Backbone interact. energy: 1.219
local terms energy: -458.520004
where:
bonds (distance) C4'-P energy: -91.282
bonds (distance) P-C4' energy: -104.928
flat angles C4'-P-C4' energy: -109.887
flat angles P-C4'-P energy: -67.520
tors. eta vs tors. theta energy: -84.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -922.426199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.426199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.426199 (E_RNA)
where:
Base-Base interactions energy: -553.558
where: short stacking energy: -264.876
Base-Backbone interact. energy: -1.284
local terms energy: -367.583864
where:
bonds (distance) C4'-P energy: -101.546
bonds (distance) P-C4' energy: -95.354
flat angles C4'-P-C4' energy: -89.052
flat angles P-C4'-P energy: -35.927
tors. eta vs tors. theta energy: -45.705
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: 5
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -825.853965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.853965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.853965 (E_RNA)
where:
Base-Base interactions energy: -472.211
where: short stacking energy: -230.597
Base-Backbone interact. energy: 4.319
local terms energy: -357.961531
where:
bonds (distance) C4'-P energy: -96.458
bonds (distance) P-C4' energy: -106.939
flat angles C4'-P-C4' energy: -80.522
flat angles P-C4'-P energy: -56.850
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: 6
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -463.321486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.321486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.321486 (E_RNA)
where:
Base-Base interactions energy: -183.068
where: short stacking energy: -145.034
Base-Backbone interact. energy: 5.067
local terms energy: -285.321060
where:
bonds (distance) C4'-P energy: -93.790
bonds (distance) P-C4' energy: -73.981
flat angles C4'-P-C4' energy: -83.668
flat angles P-C4'-P energy: -47.589
tors. eta vs tors. theta energy: 13.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -2086.220925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.220925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.220925 (E_RNA)
where:
Base-Base interactions energy: -1444.687
where: short stacking energy: -624.466
Base-Backbone interact. energy: -2.572
local terms energy: -638.962059
where:
bonds (distance) C4'-P energy: -107.876
bonds (distance) P-C4' energy: -119.452
flat angles C4'-P-C4' energy: -138.343
flat angles P-C4'-P energy: -82.541
tors. eta vs tors. theta energy: -190.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -2022.312849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.312849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.312849 (E_RNA)
where:
Base-Base interactions energy: -1374.203
where: short stacking energy: -571.724
Base-Backbone interact. energy: -3.478
local terms energy: -644.631656
where:
bonds (distance) C4'-P energy: -121.737
bonds (distance) P-C4' energy: -122.608
flat angles C4'-P-C4' energy: -131.217
flat angles P-C4'-P energy: -96.309
tors. eta vs tors. theta energy: -172.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1884.213953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.213953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.213953 (E_RNA)
where:
Base-Base interactions energy: -1306.696
where: short stacking energy: -516.688
Base-Backbone interact. energy: -1.100
local terms energy: -576.418391
where:
bonds (distance) C4'-P energy: -110.608
bonds (distance) P-C4' energy: -113.501
flat angles C4'-P-C4' energy: -124.455
flat angles P-C4'-P energy: -81.218
tors. eta vs tors. theta energy: -146.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1810.887529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.887529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.887529 (E_RNA)
where:
Base-Base interactions energy: -1228.685
where: short stacking energy: -498.830
Base-Backbone interact. energy: -3.052
local terms energy: -579.151161
where:
bonds (distance) C4'-P energy: -110.130
bonds (distance) P-C4' energy: -118.158
flat angles C4'-P-C4' energy: -132.266
flat angles P-C4'-P energy: -74.763
tors. eta vs tors. theta energy: -143.833
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: 1
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -1672.551635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.551635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.551635 (E_RNA)
where:
Base-Base interactions energy: -1102.978
where: short stacking energy: -443.435
Base-Backbone interact. energy: -0.301
local terms energy: -569.272871
where:
bonds (distance) C4'-P energy: -120.503
bonds (distance) P-C4' energy: -107.971
flat angles C4'-P-C4' energy: -108.629
flat angles P-C4'-P energy: -84.609
tors. eta vs tors. theta energy: -147.561
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: 10
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1531.793989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.793989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.793989 (E_RNA)
where:
Base-Base interactions energy: -1023.590
where: short stacking energy: -442.515
Base-Backbone interact. energy: -1.278
local terms energy: -506.925116
where:
bonds (distance) C4'-P energy: -112.289
bonds (distance) P-C4' energy: -100.631
flat angles C4'-P-C4' energy: -103.059
flat angles P-C4'-P energy: -76.948
tors. eta vs tors. theta energy: -113.999
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: 3
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1177.432937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.432937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.432937 (E_RNA)
where:
Base-Base interactions energy: -713.178
where: short stacking energy: -330.870
Base-Backbone interact. energy: -2.642
local terms energy: -461.613116
where:
bonds (distance) C4'-P energy: -98.655
bonds (distance) P-C4' energy: -103.801
flat angles C4'-P-C4' energy: -111.822
flat angles P-C4'-P energy: -63.225
tors. eta vs tors. theta energy: -84.111
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: 8, replica: 5
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -792.823218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.823218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.823218 (E_RNA)
where:
Base-Base interactions energy: -446.192
where: short stacking energy: -253.794
Base-Backbone interact. energy: 6.709
local terms energy: -353.340109
where:
bonds (distance) C4'-P energy: -82.441
bonds (distance) P-C4' energy: -102.393
flat angles C4'-P-C4' energy: -99.579
flat angles P-C4'-P energy: -53.855
tors. eta vs tors. theta energy: -15.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -823.761225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.761225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.761225 (E_RNA)
where:
Base-Base interactions energy: -439.647
where: short stacking energy: -216.107
Base-Backbone interact. energy: -0.156
local terms energy: -383.958688
where:
bonds (distance) C4'-P energy: -94.127
bonds (distance) P-C4' energy: -109.031
flat angles C4'-P-C4' energy: -97.314
flat angles P-C4'-P energy: -65.132
tors. eta vs tors. theta energy: -18.354
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: 10, replica: 6
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -439.994826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.994826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.994826 (E_RNA)
where:
Base-Base interactions energy: -163.071
where: short stacking energy: -135.337
Base-Backbone interact. energy: -1.045
local terms energy: -275.878952
where:
bonds (distance) C4'-P energy: -102.427
bonds (distance) P-C4' energy: -88.489
flat angles C4'-P-C4' energy: -87.321
flat angles P-C4'-P energy: -19.248
tors. eta vs tors. theta energy: 21.606
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: 1, replica: 8
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -2072.703567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.703567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.703567 (E_RNA)
where:
Base-Base interactions energy: -1426.518
where: short stacking energy: -607.127
Base-Backbone interact. energy: -1.745
local terms energy: -644.439718
where:
bonds (distance) C4'-P energy: -113.139
bonds (distance) P-C4' energy: -130.523
flat angles C4'-P-C4' energy: -127.344
flat angles P-C4'-P energy: -91.524
tors. eta vs tors. theta energy: -181.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -2000.727388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.727388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.727388 (E_RNA)
where:
Base-Base interactions energy: -1389.961
where: short stacking energy: -577.373
Base-Backbone interact. energy: -2.215
local terms energy: -608.550794
where:
bonds (distance) C4'-P energy: -124.224
bonds (distance) P-C4' energy: -101.521
flat angles C4'-P-C4' energy: -120.392
flat angles P-C4'-P energy: -79.178
tors. eta vs tors. theta energy: -183.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -1895.724125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.724125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.724125 (E_RNA)
where:
Base-Base interactions energy: -1310.134
where: short stacking energy: -521.953
Base-Backbone interact. energy: -4.944
local terms energy: -580.646365
where:
bonds (distance) C4'-P energy: -116.628
bonds (distance) P-C4' energy: -107.270
flat angles C4'-P-C4' energy: -123.056
flat angles P-C4'-P energy: -87.274
tors. eta vs tors. theta energy: -146.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1842.951820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.951820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.951820 (E_RNA)
where:
Base-Base interactions energy: -1275.720
where: short stacking energy: -526.968
Base-Backbone interact. energy: -3.590
local terms energy: -563.641529
where:
bonds (distance) C4'-P energy: -95.051
bonds (distance) P-C4' energy: -109.448
flat angles C4'-P-C4' energy: -116.508
flat angles P-C4'-P energy: -79.467
tors. eta vs tors. theta energy: -163.168
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: 1
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -1654.660776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.660776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.660776 (E_RNA)
where:
Base-Base interactions energy: -1105.967
where: short stacking energy: -458.546
Base-Backbone interact. energy: -2.207
local terms energy: -546.486801
where:
bonds (distance) C4'-P energy: -114.217
bonds (distance) P-C4' energy: -110.902
flat angles C4'-P-C4' energy: -124.504
flat angles P-C4'-P energy: -70.950
tors. eta vs tors. theta energy: -125.915
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: 10
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -1510.572000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.572000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.572000 (E_RNA)
where:
Base-Base interactions energy: -1038.249
where: short stacking energy: -436.558
Base-Backbone interact. energy: 1.271
local terms energy: -473.593466
where:
bonds (distance) C4'-P energy: -93.768
bonds (distance) P-C4' energy: -107.227
flat angles C4'-P-C4' energy: -107.334
flat angles P-C4'-P energy: -57.415
tors. eta vs tors. theta energy: -107.849
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: 7, replica: 3
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1199.134135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.134135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.134135 (E_RNA)
where:
Base-Base interactions energy: -714.918
where: short stacking energy: -337.393
Base-Backbone interact. energy: -1.861
local terms energy: -482.355764
where:
bonds (distance) C4'-P energy: -103.290
bonds (distance) P-C4' energy: -118.907
flat angles C4'-P-C4' energy: -103.774
flat angles P-C4'-P energy: -66.898
tors. eta vs tors. theta energy: -89.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -825.315896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.315896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.315896 (E_RNA)
where:
Base-Base interactions energy: -457.159
where: short stacking energy: -222.836
Base-Backbone interact. energy: -0.928
local terms energy: -367.229608
where:
bonds (distance) C4'-P energy: -107.303
bonds (distance) P-C4' energy: -102.333
flat angles C4'-P-C4' energy: -92.922
flat angles P-C4'-P energy: -51.794
tors. eta vs tors. theta energy: -12.878
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: 2
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -738.520981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.520981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.520981 (E_RNA)
where:
Base-Base interactions energy: -374.703
where: short stacking energy: -192.172
Base-Backbone interact. energy: 2.495
local terms energy: -366.313184
where:
bonds (distance) C4'-P energy: -104.029
bonds (distance) P-C4' energy: -113.811
flat angles C4'-P-C4' energy: -82.198
flat angles P-C4'-P energy: -53.085
tors. eta vs tors. theta energy: -13.189
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: 10, replica: 6
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -447.418310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.418310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.418310 (E_RNA)
where:
Base-Base interactions energy: -165.272
where: short stacking energy: -117.693
Base-Backbone interact. energy: 1.879
local terms energy: -284.024930
where:
bonds (distance) C4'-P energy: -88.842
bonds (distance) P-C4' energy: -101.158
flat angles C4'-P-C4' energy: -85.491
flat angles P-C4'-P energy: -30.868
tors. eta vs tors. theta energy: 22.334
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: 1, replica: 8
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -2081.003443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.003443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.003443 (E_RNA)
where:
Base-Base interactions energy: -1437.857
where: short stacking energy: -596.436
Base-Backbone interact. energy: -2.019
local terms energy: -641.127635
where:
bonds (distance) C4'-P energy: -117.148
bonds (distance) P-C4' energy: -116.904
flat angles C4'-P-C4' energy: -134.759
flat angles P-C4'-P energy: -91.552
tors. eta vs tors. theta energy: -180.764
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: 2, replica: 7
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1992.065100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.065100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.065100 (E_RNA)
where:
Base-Base interactions energy: -1370.166
where: short stacking energy: -574.083
Base-Backbone interact. energy: -3.374
local terms energy: -618.525177
where:
bonds (distance) C4'-P energy: -104.915
bonds (distance) P-C4' energy: -120.284
flat angles C4'-P-C4' energy: -126.849
flat angles P-C4'-P energy: -94.916
tors. eta vs tors. theta energy: -171.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1888.215396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.215396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.215396 (E_RNA)
where:
Base-Base interactions energy: -1301.274
where: short stacking energy: -538.987
Base-Backbone interact. energy: -4.244
local terms energy: -582.697301
where:
bonds (distance) C4'-P energy: -103.363
bonds (distance) P-C4' energy: -108.385
flat angles C4'-P-C4' energy: -134.992
flat angles P-C4'-P energy: -83.284
tors. eta vs tors. theta energy: -152.673
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: 4
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1821.570839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.570839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.570839 (E_RNA)
where:
Base-Base interactions energy: -1243.414
where: short stacking energy: -496.284
Base-Backbone interact. energy: -3.722
local terms energy: -574.434260
where:
bonds (distance) C4'-P energy: -102.215
bonds (distance) P-C4' energy: -107.823
flat angles C4'-P-C4' energy: -137.114
flat angles P-C4'-P energy: -82.560
tors. eta vs tors. theta energy: -144.722
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: 1
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1633.779965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.779965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.779965 (E_RNA)
where:
Base-Base interactions energy: -1082.423
where: short stacking energy: -453.947
Base-Backbone interact. energy: -3.155
local terms energy: -548.202746
where:
bonds (distance) C4'-P energy: -110.557
bonds (distance) P-C4' energy: -119.561
flat angles C4'-P-C4' energy: -114.945
flat angles P-C4'-P energy: -75.856
tors. eta vs tors. theta energy: -127.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1516.142708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.142708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.142708 (E_RNA)
where:
Base-Base interactions energy: -1007.503
where: short stacking energy: -468.944
Base-Backbone interact. energy: -1.559
local terms energy: -507.080906
where:
bonds (distance) C4'-P energy: -100.109
bonds (distance) P-C4' energy: -97.035
flat angles C4'-P-C4' energy: -101.542
flat angles P-C4'-P energy: -80.417
tors. eta vs tors. theta energy: -127.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -1178.536101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.536101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.536101 (E_RNA)
where:
Base-Base interactions energy: -742.740
where: short stacking energy: -332.468
Base-Backbone interact. energy: -1.865
local terms energy: -433.931949
where:
bonds (distance) C4'-P energy: -104.134
bonds (distance) P-C4' energy: -108.644
flat angles C4'-P-C4' energy: -76.417
flat angles P-C4'-P energy: -58.674
tors. eta vs tors. theta energy: -86.063
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: 8, replica: 5
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -858.118736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.118736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.118736 (E_RNA)
where:
Base-Base interactions energy: -496.466
where: short stacking energy: -238.347
Base-Backbone interact. energy: -3.775
local terms energy: -357.877826
where:
bonds (distance) C4'-P energy: -90.680
bonds (distance) P-C4' energy: -101.138
flat angles C4'-P-C4' energy: -88.713
flat angles P-C4'-P energy: -44.649
tors. eta vs tors. theta energy: -32.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -729.390635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.390635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.390635 (E_RNA)
where:
Base-Base interactions energy: -364.843
where: short stacking energy: -191.768
Base-Backbone interact. energy: 1.008
local terms energy: -365.555422
where:
bonds (distance) C4'-P energy: -89.498
bonds (distance) P-C4' energy: -114.914
flat angles C4'-P-C4' energy: -95.083
flat angles P-C4'-P energy: -47.046
tors. eta vs tors. theta energy: -19.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -449.438935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.438935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.438935 (E_RNA)
where:
Base-Base interactions energy: -148.749
where: short stacking energy: -111.427
Base-Backbone interact. energy: -0.789
local terms energy: -299.900938
where:
bonds (distance) C4'-P energy: -91.457
bonds (distance) P-C4' energy: -103.762
flat angles C4'-P-C4' energy: -84.957
flat angles P-C4'-P energy: -46.608
tors. eta vs tors. theta energy: 26.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -2096.799733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.799733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.799733 (E_RNA)
where:
Base-Base interactions energy: -1425.020
where: short stacking energy: -601.758
Base-Backbone interact. energy: -0.416
local terms energy: -671.364403
where:
bonds (distance) C4'-P energy: -128.233
bonds (distance) P-C4' energy: -122.444
flat angles C4'-P-C4' energy: -139.448
flat angles P-C4'-P energy: -97.285
tors. eta vs tors. theta energy: -183.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1995.001948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.001948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.001948 (E_RNA)
where:
Base-Base interactions energy: -1372.659
where: short stacking energy: -581.068
Base-Backbone interact. energy: -0.920
local terms energy: -621.422566
where:
bonds (distance) C4'-P energy: -125.424
bonds (distance) P-C4' energy: -110.766
flat angles C4'-P-C4' energy: -128.857
flat angles P-C4'-P energy: -87.174
tors. eta vs tors. theta energy: -169.201
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: 3, replica: 9
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -1883.764602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.764602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.764602 (E_RNA)
where:
Base-Base interactions energy: -1297.296
where: short stacking energy: -543.919
Base-Backbone interact. energy: -0.197
local terms energy: -586.271442
where:
bonds (distance) C4'-P energy: -95.351
bonds (distance) P-C4' energy: -100.045
flat angles C4'-P-C4' energy: -137.080
flat angles P-C4'-P energy: -96.279
tors. eta vs tors. theta energy: -157.517
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: 4
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -1824.505173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.505173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.505173 (E_RNA)
where:
Base-Base interactions energy: -1262.215
where: short stacking energy: -504.397
Base-Backbone interact. energy: -0.856
local terms energy: -561.434499
where:
bonds (distance) C4'-P energy: -117.430
bonds (distance) P-C4' energy: -108.170
flat angles C4'-P-C4' energy: -117.679
flat angles P-C4'-P energy: -69.455
tors. eta vs tors. theta energy: -148.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -1611.485168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.485168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.485168 (E_RNA)
where:
Base-Base interactions energy: -1054.354
where: short stacking energy: -457.137
Base-Backbone interact. energy: -2.024
local terms energy: -555.106468
where:
bonds (distance) C4'-P energy: -109.055
bonds (distance) P-C4' energy: -116.268
flat angles C4'-P-C4' energy: -125.702
flat angles P-C4'-P energy: -80.639
tors. eta vs tors. theta energy: -123.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -1428.110847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.110847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.110847 (E_RNA)
where:
Base-Base interactions energy: -939.559
where: short stacking energy: -415.427
Base-Backbone interact. energy: -2.144
local terms energy: -486.407759
where:
bonds (distance) C4'-P energy: -100.542
bonds (distance) P-C4' energy: -102.951
flat angles C4'-P-C4' energy: -113.474
flat angles P-C4'-P energy: -57.792
tors. eta vs tors. theta energy: -111.649
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: 3
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1172.805653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.805653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.805653 (E_RNA)
where:
Base-Base interactions energy: -726.857
where: short stacking energy: -354.244
Base-Backbone interact. energy: 0.930
local terms energy: -446.879381
where:
bonds (distance) C4'-P energy: -97.766
bonds (distance) P-C4' energy: -96.254
flat angles C4'-P-C4' energy: -94.961
flat angles P-C4'-P energy: -74.971
tors. eta vs tors. theta energy: -82.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -877.958925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.958925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.958925 (E_RNA)
where:
Base-Base interactions energy: -470.466
where: short stacking energy: -255.495
Base-Backbone interact. energy: 6.549
local terms energy: -414.042450
where:
bonds (distance) C4'-P energy: -88.929
bonds (distance) P-C4' energy: -105.203
flat angles C4'-P-C4' energy: -113.058
flat angles P-C4'-P energy: -51.764
tors. eta vs tors. theta energy: -55.089
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: 2
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -729.819551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.819551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.819551 (E_RNA)
where:
Base-Base interactions energy: -376.363
where: short stacking energy: -193.688
Base-Backbone interact. energy: 0.795
local terms energy: -354.251246
where:
bonds (distance) C4'-P energy: -88.048
bonds (distance) P-C4' energy: -104.276
flat angles C4'-P-C4' energy: -102.530
flat angles P-C4'-P energy: -43.756
tors. eta vs tors. theta energy: -15.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -448.591126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.591126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.591126 (E_RNA)
where:
Base-Base interactions energy: -160.140
where: short stacking energy: -124.986
Base-Backbone interact. energy: -1.632
local terms energy: -286.819228
where:
bonds (distance) C4'-P energy: -87.979
bonds (distance) P-C4' energy: -100.058
flat angles C4'-P-C4' energy: -74.867
flat angles P-C4'-P energy: -52.390
tors. eta vs tors. theta energy: 28.474
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: 8
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -2080.163801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.163801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.163801 (E_RNA)
where:
Base-Base interactions energy: -1448.313
where: short stacking energy: -614.061
Base-Backbone interact. energy: -1.412
local terms energy: -630.438867
where:
bonds (distance) C4'-P energy: -113.401
bonds (distance) P-C4' energy: -107.216
flat angles C4'-P-C4' energy: -133.002
flat angles P-C4'-P energy: -83.800
tors. eta vs tors. theta energy: -193.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -2001.626026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.626026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.626026 (E_RNA)
where:
Base-Base interactions energy: -1398.171
where: short stacking energy: -569.179
Base-Backbone interact. energy: -3.778
local terms energy: -599.677212
where:
bonds (distance) C4'-P energy: -106.418
bonds (distance) P-C4' energy: -110.987
flat angles C4'-P-C4' energy: -125.641
flat angles P-C4'-P energy: -81.689
tors. eta vs tors. theta energy: -174.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1908.122380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.122380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.122380 (E_RNA)
where:
Base-Base interactions energy: -1308.220
where: short stacking energy: -539.548
Base-Backbone interact. energy: 0.107
local terms energy: -600.009292
where:
bonds (distance) C4'-P energy: -109.822
bonds (distance) P-C4' energy: -119.068
flat angles C4'-P-C4' energy: -129.372
flat angles P-C4'-P energy: -77.135
tors. eta vs tors. theta energy: -164.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -1804.213930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.213930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.213930 (E_RNA)
where:
Base-Base interactions energy: -1273.175
where: short stacking energy: -516.207
Base-Backbone interact. energy: 0.800
local terms energy: -531.838218
where:
bonds (distance) C4'-P energy: -104.969
bonds (distance) P-C4' energy: -86.381
flat angles C4'-P-C4' energy: -119.302
flat angles P-C4'-P energy: -73.251
tors. eta vs tors. theta energy: -147.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1598.046964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.046964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.046964 (E_RNA)
where:
Base-Base interactions energy: -1047.425
where: short stacking energy: -450.991
Base-Backbone interact. energy: -3.336
local terms energy: -547.286204
where:
bonds (distance) C4'-P energy: -119.983
bonds (distance) P-C4' energy: -109.996
flat angles C4'-P-C4' energy: -112.162
flat angles P-C4'-P energy: -74.316
tors. eta vs tors. theta energy: -130.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1433.691640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.691640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.691640 (E_RNA)
where:
Base-Base interactions energy: -932.600
where: short stacking energy: -397.721
Base-Backbone interact. energy: -2.386
local terms energy: -498.705875
where:
bonds (distance) C4'-P energy: -107.347
bonds (distance) P-C4' energy: -98.884
flat angles C4'-P-C4' energy: -107.564
flat angles P-C4'-P energy: -79.296
tors. eta vs tors. theta energy: -105.615
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: 3
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -1203.703812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.703812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.703812 (E_RNA)
where:
Base-Base interactions energy: -745.401
where: short stacking energy: -366.611
Base-Backbone interact. energy: -2.159
local terms energy: -456.143741
where:
bonds (distance) C4'-P energy: -103.107
bonds (distance) P-C4' energy: -98.575
flat angles C4'-P-C4' energy: -107.909
flat angles P-C4'-P energy: -63.661
tors. eta vs tors. theta energy: -82.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -845.945447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.945447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.945447 (E_RNA)
where:
Base-Base interactions energy: -443.280
where: short stacking energy: -239.052
Base-Backbone interact. energy: -0.985
local terms energy: -401.680580
where:
bonds (distance) C4'-P energy: -89.606
bonds (distance) P-C4' energy: -114.045
flat angles C4'-P-C4' energy: -96.880
flat angles P-C4'-P energy: -52.421
tors. eta vs tors. theta energy: -48.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -760.992446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.992446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.992446 (E_RNA)
where:
Base-Base interactions energy: -417.475
where: short stacking energy: -207.240
Base-Backbone interact. energy: 5.524
local terms energy: -349.041352
where:
bonds (distance) C4'-P energy: -88.006
bonds (distance) P-C4' energy: -104.312
flat angles C4'-P-C4' energy: -86.613
flat angles P-C4'-P energy: -53.957
tors. eta vs tors. theta energy: -16.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -476.960184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.960184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.960184 (E_RNA)
where:
Base-Base interactions energy: -154.697
where: short stacking energy: -133.210
Base-Backbone interact. energy: 2.221
local terms energy: -324.484211
where:
bonds (distance) C4'-P energy: -79.299
bonds (distance) P-C4' energy: -104.651
flat angles C4'-P-C4' energy: -84.779
flat angles P-C4'-P energy: -61.675
tors. eta vs tors. theta energy: 5.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -2065.693808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.693808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.693808 (E_RNA)
where:
Base-Base interactions energy: -1419.114
where: short stacking energy: -595.103
Base-Backbone interact. energy: -0.947
local terms energy: -645.633219
where:
bonds (distance) C4'-P energy: -117.128
bonds (distance) P-C4' energy: -126.588
flat angles C4'-P-C4' energy: -135.821
flat angles P-C4'-P energy: -91.581
tors. eta vs tors. theta energy: -174.516
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: 2, replica: 7
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -2020.061981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.061981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.061981 (E_RNA)
where:
Base-Base interactions energy: -1427.880
where: short stacking energy: -614.439
Base-Backbone interact. energy: 2.025
local terms energy: -594.207056
where:
bonds (distance) C4'-P energy: -111.078
bonds (distance) P-C4' energy: -88.088
flat angles C4'-P-C4' energy: -128.596
flat angles P-C4'-P energy: -87.391
tors. eta vs tors. theta energy: -179.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1885.674959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.674959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.674959 (E_RNA)
where:
Base-Base interactions energy: -1302.783
where: short stacking energy: -545.743
Base-Backbone interact. energy: -0.425
local terms energy: -582.467467
where:
bonds (distance) C4'-P energy: -112.695
bonds (distance) P-C4' energy: -112.477
flat angles C4'-P-C4' energy: -111.750
flat angles P-C4'-P energy: -85.828
tors. eta vs tors. theta energy: -159.717
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: 9
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -1820.057869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.057869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.057869 (E_RNA)
where:
Base-Base interactions energy: -1269.528
where: short stacking energy: -522.584
Base-Backbone interact. energy: 8.825
local terms energy: -559.354453
where:
bonds (distance) C4'-P energy: -101.184
bonds (distance) P-C4' energy: -105.188
flat angles C4'-P-C4' energy: -121.593
flat angles P-C4'-P energy: -76.031
tors. eta vs tors. theta energy: -155.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -1580.691608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.691608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.691608 (E_RNA)
where:
Base-Base interactions energy: -1051.018
where: short stacking energy: -441.031
Base-Backbone interact. energy: -4.960
local terms energy: -524.714003
where:
bonds (distance) C4'-P energy: -102.902
bonds (distance) P-C4' energy: -117.377
flat angles C4'-P-C4' energy: -122.023
flat angles P-C4'-P energy: -74.173
tors. eta vs tors. theta energy: -108.239
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: 6, replica: 10
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -1414.995647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.995647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.995647 (E_RNA)
where:
Base-Base interactions energy: -926.242
where: short stacking energy: -408.807
Base-Backbone interact. energy: 0.787
local terms energy: -489.540303
where:
bonds (distance) C4'-P energy: -89.224
bonds (distance) P-C4' energy: -118.375
flat angles C4'-P-C4' energy: -109.168
flat angles P-C4'-P energy: -72.687
tors. eta vs tors. theta energy: -100.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -1166.683968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.683968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.683968 (E_RNA)
where:
Base-Base interactions energy: -715.152
where: short stacking energy: -367.153
Base-Backbone interact. energy: 3.615
local terms energy: -455.147495
where:
bonds (distance) C4'-P energy: -93.339
bonds (distance) P-C4' energy: -95.488
flat angles C4'-P-C4' energy: -105.809
flat angles P-C4'-P energy: -74.411
tors. eta vs tors. theta energy: -86.100
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: 5
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -838.428530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.428530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.428530 (E_RNA)
where:
Base-Base interactions energy: -454.072
where: short stacking energy: -253.342
Base-Backbone interact. energy: -0.876
local terms energy: -383.480431
where:
bonds (distance) C4'-P energy: -95.769
bonds (distance) P-C4' energy: -90.282
flat angles C4'-P-C4' energy: -102.578
flat angles P-C4'-P energy: -52.078
tors. eta vs tors. theta energy: -42.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -764.782831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.782831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.782831 (E_RNA)
where:
Base-Base interactions energy: -403.336
where: short stacking energy: -209.693
Base-Backbone interact. energy: -0.425
local terms energy: -361.021663
where:
bonds (distance) C4'-P energy: -92.559
bonds (distance) P-C4' energy: -103.062
flat angles C4'-P-C4' energy: -81.931
flat angles P-C4'-P energy: -69.474
tors. eta vs tors. theta energy: -13.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -464.551189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.551189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.551189 (E_RNA)
where:
Base-Base interactions energy: -170.973
where: short stacking energy: -115.313
Base-Backbone interact. energy: 2.086
local terms energy: -295.663978
where:
bonds (distance) C4'-P energy: -93.629
bonds (distance) P-C4' energy: -102.466
flat angles C4'-P-C4' energy: -76.458
flat angles P-C4'-P energy: -57.461
tors. eta vs tors. theta energy: 34.350
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: 1, replica: 8
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -2099.039556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.039556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.039556 (E_RNA)
where:
Base-Base interactions energy: -1452.927
where: short stacking energy: -605.759
Base-Backbone interact. energy: 2.684
local terms energy: -648.796023
where:
bonds (distance) C4'-P energy: -123.682
bonds (distance) P-C4' energy: -118.460
flat angles C4'-P-C4' energy: -129.614
flat angles P-C4'-P energy: -90.633
tors. eta vs tors. theta energy: -186.406
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: 2, replica: 7
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1987.266133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.266133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.266133 (E_RNA)
where:
Base-Base interactions energy: -1388.025
where: short stacking energy: -584.788
Base-Backbone interact. energy: -1.527
local terms energy: -597.714217
where:
bonds (distance) C4'-P energy: -96.255
bonds (distance) P-C4' energy: -118.684
flat angles C4'-P-C4' energy: -126.404
flat angles P-C4'-P energy: -83.617
tors. eta vs tors. theta energy: -172.755
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: 4
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -1878.043219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.043219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.043219 (E_RNA)
where:
Base-Base interactions energy: -1277.059
where: short stacking energy: -533.977
Base-Backbone interact. energy: -2.230
local terms energy: -598.753869
where:
bonds (distance) C4'-P energy: -129.640
bonds (distance) P-C4' energy: -113.114
flat angles C4'-P-C4' energy: -125.475
flat angles P-C4'-P energy: -74.289
tors. eta vs tors. theta energy: -156.236
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: 235
Temperature: 1.050000
Total energy: -1851.105836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.105836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.105836 (E_RNA)
where:
Base-Base interactions energy: -1278.513
where: short stacking energy: -540.779
Base-Backbone interact. energy: 2.110
local terms energy: -574.702853
where:
bonds (distance) C4'-P energy: -109.347
bonds (distance) P-C4' energy: -107.169
flat angles C4'-P-C4' energy: -126.768
flat angles P-C4'-P energy: -70.207
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: 5, replica: 1
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1593.609330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.609330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.609330 (E_RNA)
where:
Base-Base interactions energy: -1059.065
where: short stacking energy: -458.872
Base-Backbone interact. energy: -2.587
local terms energy: -531.956749
where:
bonds (distance) C4'-P energy: -102.392
bonds (distance) P-C4' energy: -110.041
flat angles C4'-P-C4' energy: -117.179
flat angles P-C4'-P energy: -75.131
tors. eta vs tors. theta energy: -127.214
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: 10
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1462.499041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.499041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.499041 (E_RNA)
where:
Base-Base interactions energy: -956.279
where: short stacking energy: -437.241
Base-Backbone interact. energy: 2.526
local terms energy: -508.746965
where:
bonds (distance) C4'-P energy: -103.977
bonds (distance) P-C4' energy: -97.576
flat angles C4'-P-C4' energy: -112.637
flat angles P-C4'-P energy: -76.820
tors. eta vs tors. theta energy: -117.737
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: 7, replica: 3
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1206.974570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.974570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.974570 (E_RNA)
where:
Base-Base interactions energy: -754.121
where: short stacking energy: -349.023
Base-Backbone interact. energy: -3.901
local terms energy: -448.952311
where:
bonds (distance) C4'-P energy: -98.098
bonds (distance) P-C4' energy: -94.498
flat angles C4'-P-C4' energy: -109.143
flat angles P-C4'-P energy: -64.220
tors. eta vs tors. theta energy: -82.993
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: 8, replica: 5
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -859.528209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.528209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.528209 (E_RNA)
where:
Base-Base interactions energy: -489.004
where: short stacking energy: -227.816
Base-Backbone interact. energy: 6.667
local terms energy: -377.191021
where:
bonds (distance) C4'-P energy: -102.579
bonds (distance) P-C4' energy: -105.063
flat angles C4'-P-C4' energy: -84.245
flat angles P-C4'-P energy: -63.632
tors. eta vs tors. theta energy: -21.671
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: 9, replica: 2
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -757.981187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.981187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.981187 (E_RNA)
where:
Base-Base interactions energy: -376.312
where: short stacking energy: -206.518
Base-Backbone interact. energy: -2.193
local terms energy: -379.475848
where:
bonds (distance) C4'-P energy: -114.107
bonds (distance) P-C4' energy: -113.249
flat angles C4'-P-C4' energy: -83.852
flat angles P-C4'-P energy: -53.737
tors. eta vs tors. theta energy: -14.532
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: 6
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -523.148397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.148397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.148397 (E_RNA)
where:
Base-Base interactions energy: -188.615
where: short stacking energy: -122.911
Base-Backbone interact. energy: 1.071
local terms energy: -335.603904
where:
bonds (distance) C4'-P energy: -90.327
bonds (distance) P-C4' energy: -100.829
flat angles C4'-P-C4' energy: -92.429
flat angles P-C4'-P energy: -46.152
tors. eta vs tors. theta energy: -5.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -2088.999993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.999993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.999993 (E_RNA)
where:
Base-Base interactions energy: -1449.551
where: short stacking energy: -627.094
Base-Backbone interact. energy: -0.528
local terms energy: -638.920783
where:
bonds (distance) C4'-P energy: -105.441
bonds (distance) P-C4' energy: -108.161
flat angles C4'-P-C4' energy: -139.176
flat angles P-C4'-P energy: -94.011
tors. eta vs tors. theta energy: -192.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -2025.668605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.668605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.668605 (E_RNA)
where:
Base-Base interactions energy: -1401.401
where: short stacking energy: -586.995
Base-Backbone interact. energy: 0.707
local terms energy: -624.974721
where:
bonds (distance) C4'-P energy: -114.840
bonds (distance) P-C4' energy: -115.415
flat angles C4'-P-C4' energy: -129.617
flat angles P-C4'-P energy: -84.550
tors. eta vs tors. theta energy: -180.553
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: 4
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -1933.307834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.307834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.307834 (E_RNA)
where:
Base-Base interactions energy: -1329.593
where: short stacking energy: -549.149
Base-Backbone interact. energy: 0.939
local terms energy: -604.654400
where:
bonds (distance) C4'-P energy: -117.102
bonds (distance) P-C4' energy: -110.652
flat angles C4'-P-C4' energy: -127.341
flat angles P-C4'-P energy: -82.818
tors. eta vs tors. theta energy: -166.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -1845.845629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.845629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.845629 (E_RNA)
where:
Base-Base interactions energy: -1279.400
where: short stacking energy: -516.751
Base-Backbone interact. energy: -0.932
local terms energy: -565.514229
where:
bonds (distance) C4'-P energy: -110.329
bonds (distance) P-C4' energy: -102.698
flat angles C4'-P-C4' energy: -127.912
flat angles P-C4'-P energy: -76.209
tors. eta vs tors. theta energy: -148.366
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: 1
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1569.857649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.857649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.857649 (E_RNA)
where:
Base-Base interactions energy: -1037.081
where: short stacking energy: -464.351
Base-Backbone interact. energy: -0.987
local terms energy: -531.789851
where:
bonds (distance) C4'-P energy: -101.010
bonds (distance) P-C4' energy: -106.691
flat angles C4'-P-C4' energy: -122.930
flat angles P-C4'-P energy: -65.323
tors. eta vs tors. theta energy: -135.837
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: 10
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -1449.702684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.702684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.702684 (E_RNA)
where:
Base-Base interactions energy: -968.865
where: short stacking energy: -409.903
Base-Backbone interact. energy: -1.342
local terms energy: -479.496232
where:
bonds (distance) C4'-P energy: -91.286
bonds (distance) P-C4' energy: -106.939
flat angles C4'-P-C4' energy: -109.931
flat angles P-C4'-P energy: -68.049
tors. eta vs tors. theta energy: -103.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1164.898811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.898811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.898811 (E_RNA)
where:
Base-Base interactions energy: -732.776
where: short stacking energy: -310.857
Base-Backbone interact. energy: -1.165
local terms energy: -430.958420
where:
bonds (distance) C4'-P energy: -101.629
bonds (distance) P-C4' energy: -90.723
flat angles C4'-P-C4' energy: -98.243
flat angles P-C4'-P energy: -65.221
tors. eta vs tors. theta energy: -75.143
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: 5
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -814.092135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.092135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.092135 (E_RNA)
where:
Base-Base interactions energy: -490.068
where: short stacking energy: -236.314
Base-Backbone interact. energy: 1.549
local terms energy: -325.572968
where:
bonds (distance) C4'-P energy: -88.561
bonds (distance) P-C4' energy: -99.814
flat angles C4'-P-C4' energy: -70.465
flat angles P-C4'-P energy: -49.825
tors. eta vs tors. theta energy: -16.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -790.097107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.097107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.097107 (E_RNA)
where:
Base-Base interactions energy: -454.400
where: short stacking energy: -212.929
Base-Backbone interact. energy: 2.524
local terms energy: -338.221920
where:
bonds (distance) C4'-P energy: -94.670
bonds (distance) P-C4' energy: -83.843
flat angles C4'-P-C4' energy: -94.349
flat angles P-C4'-P energy: -47.421
tors. eta vs tors. theta energy: -17.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -489.544621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.544621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.544621 (E_RNA)
where:
Base-Base interactions energy: -200.107
where: short stacking energy: -122.117
Base-Backbone interact. energy: -1.197
local terms energy: -288.240947
where:
bonds (distance) C4'-P energy: -104.112
bonds (distance) P-C4' energy: -97.885
flat angles C4'-P-C4' energy: -72.960
flat angles P-C4'-P energy: -41.921
tors. eta vs tors. theta energy: 28.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -2118.637572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.637572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.637572 (E_RNA)
where:
Base-Base interactions energy: -1457.939
where: short stacking energy: -608.969
Base-Backbone interact. energy: -3.429
local terms energy: -657.269603
where:
bonds (distance) C4'-P energy: -130.492
bonds (distance) P-C4' energy: -113.668
flat angles C4'-P-C4' energy: -142.771
flat angles P-C4'-P energy: -89.792
tors. eta vs tors. theta energy: -180.546
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: 7
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1994.827117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.827117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.827117 (E_RNA)
where:
Base-Base interactions energy: -1385.009
where: short stacking energy: -579.070
Base-Backbone interact. energy: 0.398
local terms energy: -610.216270
where:
bonds (distance) C4'-P energy: -115.224
bonds (distance) P-C4' energy: -107.419
flat angles C4'-P-C4' energy: -126.848
flat angles P-C4'-P energy: -89.166
tors. eta vs tors. theta energy: -171.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1915.421047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.421047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.421047 (E_RNA)
where:
Base-Base interactions energy: -1305.885
where: short stacking energy: -561.319
Base-Backbone interact. energy: -1.268
local terms energy: -608.268170
where:
bonds (distance) C4'-P energy: -106.481
bonds (distance) P-C4' energy: -110.608
flat angles C4'-P-C4' energy: -129.266
flat angles P-C4'-P energy: -92.223
tors. eta vs tors. theta energy: -169.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -1833.656493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.656493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.656493 (E_RNA)
where:
Base-Base interactions energy: -1296.914
where: short stacking energy: -504.444
Base-Backbone interact. energy: 15.469
local terms energy: -552.211642
where:
bonds (distance) C4'-P energy: -89.475
bonds (distance) P-C4' energy: -114.485
flat angles C4'-P-C4' energy: -111.819
flat angles P-C4'-P energy: -80.548
tors. eta vs tors. theta energy: -155.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1576.630709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.630709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.630709 (E_RNA)
where:
Base-Base interactions energy: -1055.603
where: short stacking energy: -479.670
Base-Backbone interact. energy: -2.629
local terms energy: -518.398722
where:
bonds (distance) C4'-P energy: -95.034
bonds (distance) P-C4' energy: -93.143
flat angles C4'-P-C4' energy: -112.568
flat angles P-C4'-P energy: -76.230
tors. eta vs tors. theta energy: -141.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1463.625811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.625811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.625811 (E_RNA)
where:
Base-Base interactions energy: -957.237
where: short stacking energy: -425.286
Base-Backbone interact. energy: -2.547
local terms energy: -503.842511
where:
bonds (distance) C4'-P energy: -92.569
bonds (distance) P-C4' energy: -113.646
flat angles C4'-P-C4' energy: -110.522
flat angles P-C4'-P energy: -75.289
tors. eta vs tors. theta energy: -111.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1174.495446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.495446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.495446 (E_RNA)
where:
Base-Base interactions energy: -754.824
where: short stacking energy: -327.845
Base-Backbone interact. energy: -3.888
local terms energy: -415.783420
where:
bonds (distance) C4'-P energy: -90.023
bonds (distance) P-C4' energy: -92.399
flat angles C4'-P-C4' energy: -100.621
flat angles P-C4'-P energy: -67.504
tors. eta vs tors. theta energy: -65.237
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: 5
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -838.733662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.733662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.733662 (E_RNA)
where:
Base-Base interactions energy: -421.671
where: short stacking energy: -213.738
Base-Backbone interact. energy: -2.340
local terms energy: -414.722467
where:
bonds (distance) C4'-P energy: -102.553
bonds (distance) P-C4' energy: -112.201
flat angles C4'-P-C4' energy: -103.971
flat angles P-C4'-P energy: -69.021
tors. eta vs tors. theta energy: -26.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -751.292865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.292865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.292865 (E_RNA)
where:
Base-Base interactions energy: -433.187
where: short stacking energy: -212.024
Base-Backbone interact. energy: 0.679
local terms energy: -318.784837
where:
bonds (distance) C4'-P energy: -73.883
bonds (distance) P-C4' energy: -108.451
flat angles C4'-P-C4' energy: -77.886
flat angles P-C4'-P energy: -46.235
tors. eta vs tors. theta energy: -12.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -444.821104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.821104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.821104 (E_RNA)
where:
Base-Base interactions energy: -173.348
where: short stacking energy: -123.003
Base-Backbone interact. energy: 0.441
local terms energy: -271.913724
where:
bonds (distance) C4'-P energy: -92.087
bonds (distance) P-C4' energy: -106.754
flat angles C4'-P-C4' energy: -57.455
flat angles P-C4'-P energy: -40.428
tors. eta vs tors. theta energy: 24.810
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: 8
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -2098.279894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.279894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.279894 (E_RNA)
where:
Base-Base interactions energy: -1424.598
where: short stacking energy: -623.307
Base-Backbone interact. energy: -1.145
local terms energy: -672.536982
where:
bonds (distance) C4'-P energy: -118.882
bonds (distance) P-C4' energy: -125.149
flat angles C4'-P-C4' energy: -144.402
flat angles P-C4'-P energy: -94.120
tors. eta vs tors. theta energy: -189.984
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: 7
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -2009.458123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.458123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.458123 (E_RNA)
where:
Base-Base interactions energy: -1389.927
where: short stacking energy: -592.680
Base-Backbone interact. energy: 6.966
local terms energy: -626.496970
where:
bonds (distance) C4'-P energy: -104.569
bonds (distance) P-C4' energy: -121.027
flat angles C4'-P-C4' energy: -136.132
flat angles P-C4'-P energy: -90.457
tors. eta vs tors. theta energy: -174.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1931.689504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.689504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.689504 (E_RNA)
where:
Base-Base interactions energy: -1340.452
where: short stacking energy: -542.253
Base-Backbone interact. energy: -1.200
local terms energy: -590.037007
where:
bonds (distance) C4'-P energy: -111.929
bonds (distance) P-C4' energy: -113.696
flat angles C4'-P-C4' energy: -129.182
flat angles P-C4'-P energy: -80.426
tors. eta vs tors. theta energy: -154.804
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: 238
Temperature: 1.050000
Total energy: -1856.903418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.903418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.903418 (E_RNA)
where:
Base-Base interactions energy: -1302.925
where: short stacking energy: -517.109
Base-Backbone interact. energy: -1.641
local terms energy: -552.337973
where:
bonds (distance) C4'-P energy: -100.182
bonds (distance) P-C4' energy: -103.952
flat angles C4'-P-C4' energy: -127.005
flat angles P-C4'-P energy: -67.725
tors. eta vs tors. theta energy: -153.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1550.318529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.318529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.318529 (E_RNA)
where:
Base-Base interactions energy: -1027.902
where: short stacking energy: -464.173
Base-Backbone interact. energy: 1.098
local terms energy: -523.515043
where:
bonds (distance) C4'-P energy: -104.078
bonds (distance) P-C4' energy: -103.283
flat angles C4'-P-C4' energy: -122.621
flat angles P-C4'-P energy: -68.889
tors. eta vs tors. theta energy: -124.645
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: 1
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -1499.384723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.384723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.384723 (E_RNA)
where:
Base-Base interactions energy: -987.297
where: short stacking energy: -446.497
Base-Backbone interact. energy: -2.540
local terms energy: -509.548293
where:
bonds (distance) C4'-P energy: -95.306
bonds (distance) P-C4' energy: -102.882
flat angles C4'-P-C4' energy: -115.733
flat angles P-C4'-P energy: -71.676
tors. eta vs tors. theta energy: -123.951
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: 7, replica: 3
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1138.173379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.173379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.173379 (E_RNA)
where:
Base-Base interactions energy: -719.410
where: short stacking energy: -338.795
Base-Backbone interact. energy: -0.816
local terms energy: -417.947232
where:
bonds (distance) C4'-P energy: -96.797
bonds (distance) P-C4' energy: -111.414
flat angles C4'-P-C4' energy: -90.131
flat angles P-C4'-P energy: -58.259
tors. eta vs tors. theta energy: -61.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -856.285355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.285355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.285355 (E_RNA)
where:
Base-Base interactions energy: -489.936
where: short stacking energy: -246.848
Base-Backbone interact. energy: -0.393
local terms energy: -365.956171
where:
bonds (distance) C4'-P energy: -83.759
bonds (distance) P-C4' energy: -99.872
flat angles C4'-P-C4' energy: -92.754
flat angles P-C4'-P energy: -59.185
tors. eta vs tors. theta energy: -30.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -799.698423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.698423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.698423 (E_RNA)
where:
Base-Base interactions energy: -427.578
where: short stacking energy: -206.163
Base-Backbone interact. energy: -0.047
local terms energy: -372.073784
where:
bonds (distance) C4'-P energy: -86.633
bonds (distance) P-C4' energy: -105.569
flat angles C4'-P-C4' energy: -95.195
flat angles P-C4'-P energy: -64.174
tors. eta vs tors. theta energy: -20.502
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: 10, replica: 6
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -474.639583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.639583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.639583 (E_RNA)
where:
Base-Base interactions energy: -168.703
where: short stacking energy: -138.879
Base-Backbone interact. energy: 5.506
local terms energy: -311.442365
where:
bonds (distance) C4'-P energy: -98.933
bonds (distance) P-C4' energy: -96.516
flat angles C4'-P-C4' energy: -93.110
flat angles P-C4'-P energy: -43.159
tors. eta vs tors. theta energy: 20.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -2132.414730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.414730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.414730 (E_RNA)
where:
Base-Base interactions energy: -1452.300
where: short stacking energy: -644.735
Base-Backbone interact. energy: -1.074
local terms energy: -679.040738
where:
bonds (distance) C4'-P energy: -115.751
bonds (distance) P-C4' energy: -131.172
flat angles C4'-P-C4' energy: -140.357
flat angles P-C4'-P energy: -96.880
tors. eta vs tors. theta energy: -194.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1985.703595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.703595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.703595 (E_RNA)
where:
Base-Base interactions energy: -1367.822
where: short stacking energy: -585.943
Base-Backbone interact. energy: -0.316
local terms energy: -617.565876
where:
bonds (distance) C4'-P energy: -115.096
bonds (distance) P-C4' energy: -112.473
flat angles C4'-P-C4' energy: -122.426
flat angles P-C4'-P energy: -91.344
tors. eta vs tors. theta energy: -176.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1884.526442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.526442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.526442 (E_RNA)
where:
Base-Base interactions energy: -1277.256
where: short stacking energy: -542.183
Base-Backbone interact. energy: -2.317
local terms energy: -604.953333
where:
bonds (distance) C4'-P energy: -107.242
bonds (distance) P-C4' energy: -111.430
flat angles C4'-P-C4' energy: -131.793
flat angles P-C4'-P energy: -91.804
tors. eta vs tors. theta energy: -162.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -1836.591413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.591413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.591413 (E_RNA)
where:
Base-Base interactions energy: -1280.365
where: short stacking energy: -509.179
Base-Backbone interact. energy: -3.159
local terms energy: -553.066866
where:
bonds (distance) C4'-P energy: -105.796
bonds (distance) P-C4' energy: -99.234
flat angles C4'-P-C4' energy: -115.785
flat angles P-C4'-P energy: -81.326
tors. eta vs tors. theta energy: -150.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -1593.212266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.212266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.212266 (E_RNA)
where:
Base-Base interactions energy: -1066.207
where: short stacking energy: -485.184
Base-Backbone interact. energy: 2.924
local terms energy: -529.929706
where:
bonds (distance) C4'-P energy: -94.032
bonds (distance) P-C4' energy: -111.421
flat angles C4'-P-C4' energy: -124.619
flat angles P-C4'-P energy: -80.836
tors. eta vs tors. theta energy: -119.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -1474.539969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.539969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.539969 (E_RNA)
where:
Base-Base interactions energy: -956.668
where: short stacking energy: -441.838
Base-Backbone interact. energy: 0.878
local terms energy: -518.749981
where:
bonds (distance) C4'-P energy: -83.388
bonds (distance) P-C4' energy: -111.628
flat angles C4'-P-C4' energy: -113.445
flat angles P-C4'-P energy: -83.639
tors. eta vs tors. theta energy: -126.651
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: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1194.084561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.084561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.084561 (E_RNA)
where:
Base-Base interactions energy: -759.702
where: short stacking energy: -341.389
Base-Backbone interact. energy: -0.833
local terms energy: -433.550243
where:
bonds (distance) C4'-P energy: -83.288
bonds (distance) P-C4' energy: -97.366
flat angles C4'-P-C4' energy: -108.356
flat angles P-C4'-P energy: -64.235
tors. eta vs tors. theta energy: -80.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -838.598629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.598629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.598629 (E_RNA)
where:
Base-Base interactions energy: -464.088
where: short stacking energy: -267.412
Base-Backbone interact. energy: 3.823
local terms energy: -378.333890
where:
bonds (distance) C4'-P energy: -86.557
bonds (distance) P-C4' energy: -103.927
flat angles C4'-P-C4' energy: -85.099
flat angles P-C4'-P energy: -66.348
tors. eta vs tors. theta energy: -36.403
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: 2
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -787.020258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.020258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.020258 (E_RNA)
where:
Base-Base interactions energy: -454.639
where: short stacking energy: -215.904
Base-Backbone interact. energy: 5.695
local terms energy: -338.075675
where:
bonds (distance) C4'-P energy: -78.385
bonds (distance) P-C4' energy: -104.388
flat angles C4'-P-C4' energy: -88.229
flat angles P-C4'-P energy: -56.202
tors. eta vs tors. theta energy: -10.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -475.665704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.665704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.665704 (E_RNA)
where:
Base-Base interactions energy: -156.763
where: short stacking energy: -112.822
Base-Backbone interact. energy: 5.365
local terms energy: -324.268222
where:
bonds (distance) C4'-P energy: -99.509
bonds (distance) P-C4' energy: -94.550
flat angles C4'-P-C4' energy: -89.409
flat angles P-C4'-P energy: -57.161
tors. eta vs tors. theta energy: 16.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -2096.058082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.058082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.058082 (E_RNA)
where:
Base-Base interactions energy: -1430.179
where: short stacking energy: -626.687
Base-Backbone interact. energy: 0.195
local terms energy: -666.074028
where:
bonds (distance) C4'-P energy: -111.939
bonds (distance) P-C4' energy: -127.865
flat angles C4'-P-C4' energy: -131.226
flat angles P-C4'-P energy: -97.066
tors. eta vs tors. theta energy: -197.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1956.397612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.397612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.397612 (E_RNA)
where:
Base-Base interactions energy: -1361.405
where: short stacking energy: -570.468
Base-Backbone interact. energy: -2.114
local terms energy: -592.877844
where:
bonds (distance) C4'-P energy: -116.744
bonds (distance) P-C4' energy: -101.714
flat angles C4'-P-C4' energy: -122.882
flat angles P-C4'-P energy: -83.044
tors. eta vs tors. theta energy: -168.495
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: 3, replica: 4
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1892.987440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.987440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.987440 (E_RNA)
where:
Base-Base interactions energy: -1290.558
where: short stacking energy: -558.433
Base-Backbone interact. energy: 0.257
local terms energy: -602.686730
where:
bonds (distance) C4'-P energy: -110.928
bonds (distance) P-C4' energy: -103.599
flat angles C4'-P-C4' energy: -136.603
flat angles P-C4'-P energy: -87.156
tors. eta vs tors. theta energy: -164.400
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: 4, replica: 9
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -1836.903884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.903884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.903884 (E_RNA)
where:
Base-Base interactions energy: -1258.960
where: short stacking energy: -514.838
Base-Backbone interact. energy: -3.510
local terms energy: -574.433420
where:
bonds (distance) C4'-P energy: -110.131
bonds (distance) P-C4' energy: -117.845
flat angles C4'-P-C4' energy: -117.787
flat angles P-C4'-P energy: -78.201
tors. eta vs tors. theta energy: -150.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1538.998960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.998960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.998960 (E_RNA)
where:
Base-Base interactions energy: -994.666
where: short stacking energy: -453.528
Base-Backbone interact. energy: -1.658
local terms energy: -542.674907
where:
bonds (distance) C4'-P energy: -117.690
bonds (distance) P-C4' energy: -109.574
flat angles C4'-P-C4' energy: -100.264
flat angles P-C4'-P energy: -83.721
tors. eta vs tors. theta energy: -131.426
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: 10
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1530.247253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.247253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.247253 (E_RNA)
where:
Base-Base interactions energy: -1000.079
where: short stacking energy: -444.958
Base-Backbone interact. energy: -3.151
local terms energy: -527.017236
where:
bonds (distance) C4'-P energy: -105.310
bonds (distance) P-C4' energy: -101.395
flat angles C4'-P-C4' energy: -113.316
flat angles P-C4'-P energy: -91.270
tors. eta vs tors. theta energy: -115.727
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: 7, replica: 3
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -1206.258067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.258067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.258067 (E_RNA)
where:
Base-Base interactions energy: -747.798
where: short stacking energy: -347.295
Base-Backbone interact. energy: -0.404
local terms energy: -458.056287
where:
bonds (distance) C4'-P energy: -91.687
bonds (distance) P-C4' energy: -100.609
flat angles C4'-P-C4' energy: -111.440
flat angles P-C4'-P energy: -74.076
tors. eta vs tors. theta energy: -80.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -824.615394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.615394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.615394 (E_RNA)
where:
Base-Base interactions energy: -435.998
where: short stacking energy: -246.307
Base-Backbone interact. energy: -3.822
local terms energy: -384.795504
where:
bonds (distance) C4'-P energy: -103.338
bonds (distance) P-C4' energy: -100.524
flat angles C4'-P-C4' energy: -96.797
flat angles P-C4'-P energy: -51.665
tors. eta vs tors. theta energy: -32.472
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: 2
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -836.891637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.891637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.891637 (E_RNA)
where:
Base-Base interactions energy: -458.378
where: short stacking energy: -239.921
Base-Backbone interact. energy: -1.546
local terms energy: -376.968016
where:
bonds (distance) C4'-P energy: -85.723
bonds (distance) P-C4' energy: -96.670
flat angles C4'-P-C4' energy: -94.571
flat angles P-C4'-P energy: -63.569
tors. eta vs tors. theta energy: -36.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -461.929793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.929793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.929793 (E_RNA)
where:
Base-Base interactions energy: -175.737
where: short stacking energy: -139.717
Base-Backbone interact. energy: 3.919
local terms energy: -290.111601
where:
bonds (distance) C4'-P energy: -82.018
bonds (distance) P-C4' energy: -95.850
flat angles C4'-P-C4' energy: -100.312
flat angles P-C4'-P energy: -40.029
tors. eta vs tors. theta energy: 28.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -2115.339583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.339583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.339583 (E_RNA)
where:
Base-Base interactions energy: -1456.922
where: short stacking energy: -637.811
Base-Backbone interact. energy: -3.726
local terms energy: -654.691382
where:
bonds (distance) C4'-P energy: -109.820
bonds (distance) P-C4' energy: -126.901
flat angles C4'-P-C4' energy: -128.957
flat angles P-C4'-P energy: -95.882
tors. eta vs tors. theta energy: -193.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1976.630591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.630591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.630591 (E_RNA)
where:
Base-Base interactions energy: -1370.603
where: short stacking energy: -592.432
Base-Backbone interact. energy: 0.873
local terms energy: -606.900239
where:
bonds (distance) C4'-P energy: -104.729
bonds (distance) P-C4' energy: -110.743
flat angles C4'-P-C4' energy: -141.160
flat angles P-C4'-P energy: -77.028
tors. eta vs tors. theta energy: -173.240
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: 4
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -1914.133498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.133498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.133498 (E_RNA)
where:
Base-Base interactions energy: -1328.202
where: short stacking energy: -551.595
Base-Backbone interact. energy: -0.786
local terms energy: -585.145160
where:
bonds (distance) C4'-P energy: -108.979
bonds (distance) P-C4' energy: -103.050
flat angles C4'-P-C4' energy: -133.089
flat angles P-C4'-P energy: -80.927
tors. eta vs tors. theta energy: -159.101
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: 9
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -1821.871625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.871625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.871625 (E_RNA)
where:
Base-Base interactions energy: -1251.513
where: short stacking energy: -525.976
Base-Backbone interact. energy: 1.093
local terms energy: -571.451158
where:
bonds (distance) C4'-P energy: -112.092
bonds (distance) P-C4' energy: -115.508
flat angles C4'-P-C4' energy: -121.530
flat angles P-C4'-P energy: -70.013
tors. eta vs tors. theta energy: -152.308
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: 5, replica: 1
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -1514.588093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.588093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.588093 (E_RNA)
where:
Base-Base interactions energy: -981.819
where: short stacking energy: -448.300
Base-Backbone interact. energy: -1.269
local terms energy: -531.500059
where:
bonds (distance) C4'-P energy: -112.163
bonds (distance) P-C4' energy: -103.510
flat angles C4'-P-C4' energy: -112.356
flat angles P-C4'-P energy: -71.597
tors. eta vs tors. theta energy: -131.875
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: 10
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -1482.768263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.768263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.768263 (E_RNA)
where:
Base-Base interactions energy: -974.574
where: short stacking energy: -435.900
Base-Backbone interact. energy: 5.633
local terms energy: -513.827076
where:
bonds (distance) C4'-P energy: -101.771
bonds (distance) P-C4' energy: -104.557
flat angles C4'-P-C4' energy: -118.071
flat angles P-C4'-P energy: -79.568
tors. eta vs tors. theta energy: -109.861
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: 7, replica: 3
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1216.648948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.648948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.648948 (E_RNA)
where:
Base-Base interactions energy: -753.022
where: short stacking energy: -336.083
Base-Backbone interact. energy: 3.286
local terms energy: -466.913331
where:
bonds (distance) C4'-P energy: -98.668
bonds (distance) P-C4' energy: -112.618
flat angles C4'-P-C4' energy: -94.395
flat angles P-C4'-P energy: -66.780
tors. eta vs tors. theta energy: -94.452
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: 2
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -840.031278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.031278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.031278 (E_RNA)
where:
Base-Base interactions energy: -456.434
where: short stacking energy: -244.588
Base-Backbone interact. energy: 1.626
local terms energy: -385.223396
where:
bonds (distance) C4'-P energy: -95.451
bonds (distance) P-C4' energy: -116.427
flat angles C4'-P-C4' energy: -92.950
flat angles P-C4'-P energy: -58.687
tors. eta vs tors. theta energy: -21.709
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: 9, replica: 5
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -798.381406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.381406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.381406 (E_RNA)
where:
Base-Base interactions energy: -428.915
where: short stacking energy: -240.013
Base-Backbone interact. energy: 1.895
local terms energy: -371.360569
where:
bonds (distance) C4'-P energy: -95.588
bonds (distance) P-C4' energy: -105.994
flat angles C4'-P-C4' energy: -100.882
flat angles P-C4'-P energy: -55.035
tors. eta vs tors. theta energy: -13.861
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: 10, replica: 6
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -445.985140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.985140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.985140 (E_RNA)
where:
Base-Base interactions energy: -187.560
where: short stacking energy: -106.572
Base-Backbone interact. energy: 3.565
local terms energy: -261.990225
where:
bonds (distance) C4'-P energy: -79.232
bonds (distance) P-C4' energy: -94.464
flat angles C4'-P-C4' energy: -83.306
flat angles P-C4'-P energy: -30.315
tors. eta vs tors. theta energy: 25.326
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: 8
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -2123.462775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.462775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.462775 (E_RNA)
where:
Base-Base interactions energy: -1454.356
where: short stacking energy: -622.236
Base-Backbone interact. energy: -3.401
local terms energy: -665.706303
where:
bonds (distance) C4'-P energy: -126.103
bonds (distance) P-C4' energy: -109.013
flat angles C4'-P-C4' energy: -134.673
flat angles P-C4'-P energy: -100.252
tors. eta vs tors. theta energy: -195.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1982.235771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.235771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.235771 (E_RNA)
where:
Base-Base interactions energy: -1384.135
where: short stacking energy: -566.681
Base-Backbone interact. energy: 3.540
local terms energy: -601.640422
where:
bonds (distance) C4'-P energy: -121.243
bonds (distance) P-C4' energy: -111.674
flat angles C4'-P-C4' energy: -109.606
flat angles P-C4'-P energy: -83.451
tors. eta vs tors. theta energy: -175.667
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: 4
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -1904.254434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.254434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.254434 (E_RNA)
where:
Base-Base interactions energy: -1321.833
where: short stacking energy: -555.248
Base-Backbone interact. energy: -2.259
local terms energy: -580.161815
where:
bonds (distance) C4'-P energy: -109.320
bonds (distance) P-C4' energy: -108.319
flat angles C4'-P-C4' energy: -131.557
flat angles P-C4'-P energy: -61.267
tors. eta vs tors. theta energy: -169.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1826.762798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.762798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.762798 (E_RNA)
where:
Base-Base interactions energy: -1262.490
where: short stacking energy: -541.174
Base-Backbone interact. energy: -2.596
local terms energy: -561.677514
where:
bonds (distance) C4'-P energy: -95.493
bonds (distance) P-C4' energy: -102.628
flat angles C4'-P-C4' energy: -120.264
flat angles P-C4'-P energy: -80.753
tors. eta vs tors. theta energy: -162.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -1563.584186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.584186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.584186 (E_RNA)
where:
Base-Base interactions energy: -1046.786
where: short stacking energy: -450.294
Base-Backbone interact. energy: -0.875
local terms energy: -515.923285
where:
bonds (distance) C4'-P energy: -91.550
bonds (distance) P-C4' energy: -109.653
flat angles C4'-P-C4' energy: -121.258
flat angles P-C4'-P energy: -72.574
tors. eta vs tors. theta energy: -120.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -1456.063222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.063222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.063222 (E_RNA)
where:
Base-Base interactions energy: -948.675
where: short stacking energy: -397.047
Base-Backbone interact. energy: -0.402
local terms energy: -506.985837
where:
bonds (distance) C4'-P energy: -98.829
bonds (distance) P-C4' energy: -109.499
flat angles C4'-P-C4' energy: -110.715
flat angles P-C4'-P energy: -74.693
tors. eta vs tors. theta energy: -113.250
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: 3
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1309.683119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.683119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.683119 (E_RNA)
where:
Base-Base interactions energy: -848.652
where: short stacking energy: -385.096
Base-Backbone interact. energy: -1.543
local terms energy: -459.487994
where:
bonds (distance) C4'-P energy: -82.661
bonds (distance) P-C4' energy: -97.533
flat angles C4'-P-C4' energy: -102.871
flat angles P-C4'-P energy: -65.088
tors. eta vs tors. theta energy: -111.336
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: 2
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -779.320448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.320448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.320448 (E_RNA)
where:
Base-Base interactions energy: -401.169
where: short stacking energy: -222.663
Base-Backbone interact. energy: 2.999
local terms energy: -381.150468
where:
bonds (distance) C4'-P energy: -89.745
bonds (distance) P-C4' energy: -116.970
flat angles C4'-P-C4' energy: -92.063
flat angles P-C4'-P energy: -62.982
tors. eta vs tors. theta energy: -19.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -781.791172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.791172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.791172 (E_RNA)
where:
Base-Base interactions energy: -425.440
where: short stacking energy: -227.400
Base-Backbone interact. energy: 4.137
local terms energy: -360.488145
where:
bonds (distance) C4'-P energy: -93.906
bonds (distance) P-C4' energy: -106.141
flat angles C4'-P-C4' energy: -91.608
flat angles P-C4'-P energy: -35.411
tors. eta vs tors. theta energy: -33.421
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: 10, replica: 6
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -456.288213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.288213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.288213 (E_RNA)
where:
Base-Base interactions energy: -145.361
where: short stacking energy: -121.034
Base-Backbone interact. energy: 6.172
local terms energy: -317.098458
where:
bonds (distance) C4'-P energy: -90.829
bonds (distance) P-C4' energy: -97.120
flat angles C4'-P-C4' energy: -79.265
flat angles P-C4'-P energy: -66.364
tors. eta vs tors. theta energy: 16.480
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: 1, replica: 8
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -2106.793892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.793892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.793892 (E_RNA)
where:
Base-Base interactions energy: -1461.029
where: short stacking energy: -634.005
Base-Backbone interact. energy: -3.880
local terms energy: -641.885534
where:
bonds (distance) C4'-P energy: -102.123
bonds (distance) P-C4' energy: -122.143
flat angles C4'-P-C4' energy: -128.586
flat angles P-C4'-P energy: -97.861
tors. eta vs tors. theta energy: -191.172
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: 2, replica: 7
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1995.456706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.456706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.456706 (E_RNA)
where:
Base-Base interactions energy: -1387.120
where: short stacking energy: -569.379
Base-Backbone interact. energy: -2.368
local terms energy: -605.969101
where:
bonds (distance) C4'-P energy: -118.556
bonds (distance) P-C4' energy: -103.935
flat angles C4'-P-C4' energy: -128.321
flat angles P-C4'-P energy: -85.329
tors. eta vs tors. theta energy: -169.829
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: 4
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -1917.302218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.302218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.302218 (E_RNA)
where:
Base-Base interactions energy: -1309.734
where: short stacking energy: -532.828
Base-Backbone interact. energy: -5.124
local terms energy: -602.444408
where:
bonds (distance) C4'-P energy: -111.663
bonds (distance) P-C4' energy: -118.938
flat angles C4'-P-C4' energy: -127.702
flat angles P-C4'-P energy: -88.437
tors. eta vs tors. theta energy: -155.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -1847.185157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.185157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.185157 (E_RNA)
where:
Base-Base interactions energy: -1264.934
where: short stacking energy: -512.130
Base-Backbone interact. energy: 1.382
local terms energy: -583.632574
where:
bonds (distance) C4'-P energy: -112.592
bonds (distance) P-C4' energy: -110.134
flat angles C4'-P-C4' energy: -127.738
flat angles P-C4'-P energy: -80.683
tors. eta vs tors. theta energy: -152.485
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: 10
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1525.116303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.116303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.116303 (E_RNA)
where:
Base-Base interactions energy: -1000.099
where: short stacking energy: -436.519
Base-Backbone interact. energy: 1.533
local terms energy: -526.550846
where:
bonds (distance) C4'-P energy: -94.741
bonds (distance) P-C4' energy: -108.528
flat angles C4'-P-C4' energy: -120.791
flat angles P-C4'-P energy: -71.184
tors. eta vs tors. theta energy: -131.307
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: 1
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1480.594058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.594058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.594058 (E_RNA)
where:
Base-Base interactions energy: -1000.721
where: short stacking energy: -428.590
Base-Backbone interact. energy: 0.138
local terms energy: -480.011787
where:
bonds (distance) C4'-P energy: -98.121
bonds (distance) P-C4' energy: -97.483
flat angles C4'-P-C4' energy: -111.478
flat angles P-C4'-P energy: -63.918
tors. eta vs tors. theta energy: -109.012
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: 7, replica: 3
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -1220.006139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.006139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.006139 (E_RNA)
where:
Base-Base interactions energy: -778.076
where: short stacking energy: -330.521
Base-Backbone interact. energy: 3.148
local terms energy: -445.078363
where:
bonds (distance) C4'-P energy: -101.024
bonds (distance) P-C4' energy: -93.921
flat angles C4'-P-C4' energy: -99.685
flat angles P-C4'-P energy: -73.492
tors. eta vs tors. theta energy: -76.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -893.408091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.408091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.408091 (E_RNA)
where:
Base-Base interactions energy: -512.220
where: short stacking energy: -259.122
Base-Backbone interact. energy: 0.944
local terms energy: -382.132120
where:
bonds (distance) C4'-P energy: -95.836
bonds (distance) P-C4' energy: -108.190
flat angles C4'-P-C4' energy: -79.061
flat angles P-C4'-P energy: -56.417
tors. eta vs tors. theta energy: -42.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -779.792395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.792395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.792395 (E_RNA)
where:
Base-Base interactions energy: -434.269
where: short stacking energy: -236.505
Base-Backbone interact. energy: 0.029
local terms energy: -345.552144
where:
bonds (distance) C4'-P energy: -93.915
bonds (distance) P-C4' energy: -90.564
flat angles C4'-P-C4' energy: -82.167
flat angles P-C4'-P energy: -52.270
tors. eta vs tors. theta energy: -26.637
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: 6
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -424.220310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.220310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.220310 (E_RNA)
where:
Base-Base interactions energy: -110.329
where: short stacking energy: -101.576
Base-Backbone interact. energy: 4.310
local terms energy: -318.202054
where:
bonds (distance) C4'-P energy: -98.817
bonds (distance) P-C4' energy: -108.367
flat angles C4'-P-C4' energy: -96.483
flat angles P-C4'-P energy: -41.178
tors. eta vs tors. theta energy: 26.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -2090.828039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.828039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.828039 (E_RNA)
where:
Base-Base interactions energy: -1431.865
where: short stacking energy: -622.508
Base-Backbone interact. energy: -3.743
local terms energy: -655.219529
where:
bonds (distance) C4'-P energy: -112.774
bonds (distance) P-C4' energy: -121.844
flat angles C4'-P-C4' energy: -141.485
flat angles P-C4'-P energy: -89.463
tors. eta vs tors. theta energy: -189.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -2029.314429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.314429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.314429 (E_RNA)
where:
Base-Base interactions energy: -1396.613
where: short stacking energy: -590.940
Base-Backbone interact. energy: -1.693
local terms energy: -631.008906
where:
bonds (distance) C4'-P energy: -120.371
bonds (distance) P-C4' energy: -126.391
flat angles C4'-P-C4' energy: -123.005
flat angles P-C4'-P energy: -81.847
tors. eta vs tors. theta energy: -179.395
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: 4
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1915.862462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.862462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.862462 (E_RNA)
where:
Base-Base interactions energy: -1311.674
where: short stacking energy: -547.018
Base-Backbone interact. energy: -1.678
local terms energy: -602.510199
where:
bonds (distance) C4'-P energy: -107.026
bonds (distance) P-C4' energy: -115.973
flat angles C4'-P-C4' energy: -127.168
flat angles P-C4'-P energy: -82.940
tors. eta vs tors. theta energy: -169.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -1897.694271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.694271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.694271 (E_RNA)
where:
Base-Base interactions energy: -1276.536
where: short stacking energy: -509.638
Base-Backbone interact. energy: -2.970
local terms energy: -618.188091
where:
bonds (distance) C4'-P energy: -119.376
bonds (distance) P-C4' energy: -117.954
flat angles C4'-P-C4' energy: -138.170
flat angles P-C4'-P energy: -92.869
tors. eta vs tors. theta energy: -149.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1490.354873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.354873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.354873 (E_RNA)
where:
Base-Base interactions energy: -976.673
where: short stacking energy: -427.011
Base-Backbone interact. energy: -2.331
local terms energy: -511.350186
where:
bonds (distance) C4'-P energy: -100.785
bonds (distance) P-C4' energy: -120.486
flat angles C4'-P-C4' energy: -104.993
flat angles P-C4'-P energy: -72.080
tors. eta vs tors. theta energy: -113.006
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: 6, replica: 10
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -1486.047352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.047352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.047352 (E_RNA)
where:
Base-Base interactions energy: -964.404
where: short stacking energy: -440.742
Base-Backbone interact. energy: 2.924
local terms energy: -524.566728
where:
bonds (distance) C4'-P energy: -112.353
bonds (distance) P-C4' energy: -113.147
flat angles C4'-P-C4' energy: -107.603
flat angles P-C4'-P energy: -65.389
tors. eta vs tors. theta energy: -126.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1285.028887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.028887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.028887 (E_RNA)
where:
Base-Base interactions energy: -839.702
where: short stacking energy: -380.383
Base-Backbone interact. energy: -3.573
local terms energy: -441.754176
where:
bonds (distance) C4'-P energy: -85.529
bonds (distance) P-C4' energy: -102.201
flat angles C4'-P-C4' energy: -100.178
flat angles P-C4'-P energy: -65.086
tors. eta vs tors. theta energy: -88.760
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: 244
Temperature: 1.250000
Total energy: -815.150151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.150151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.150151 (E_RNA)
where:
Base-Base interactions energy: -424.738
where: short stacking energy: -232.881
Base-Backbone interact. energy: 3.551
local terms energy: -393.963548
where:
bonds (distance) C4'-P energy: -98.989
bonds (distance) P-C4' energy: -113.661
flat angles C4'-P-C4' energy: -88.493
flat angles P-C4'-P energy: -61.387
tors. eta vs tors. theta energy: -31.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -747.119798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.119798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.119798 (E_RNA)
where:
Base-Base interactions energy: -414.525
where: short stacking energy: -209.825
Base-Backbone interact. energy: -2.426
local terms energy: -330.169084
where:
bonds (distance) C4'-P energy: -95.011
bonds (distance) P-C4' energy: -106.458
flat angles C4'-P-C4' energy: -84.175
flat angles P-C4'-P energy: -32.348
tors. eta vs tors. theta energy: -12.177
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: 6
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -452.886390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.886390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.886390 (E_RNA)
where:
Base-Base interactions energy: -145.945
where: short stacking energy: -124.160
Base-Backbone interact. energy: 0.736
local terms energy: -307.677297
where:
bonds (distance) C4'-P energy: -79.735
bonds (distance) P-C4' energy: -106.420
flat angles C4'-P-C4' energy: -89.539
flat angles P-C4'-P energy: -52.469
tors. eta vs tors. theta energy: 20.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -2108.033362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.033362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.033362 (E_RNA)
where:
Base-Base interactions energy: -1451.450
where: short stacking energy: -605.311
Base-Backbone interact. energy: -0.710
local terms energy: -655.873030
where:
bonds (distance) C4'-P energy: -121.854
bonds (distance) P-C4' energy: -118.120
flat angles C4'-P-C4' energy: -137.104
flat angles P-C4'-P energy: -93.881
tors. eta vs tors. theta energy: -184.915
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: 2, replica: 7
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -2028.210789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.210789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.210789 (E_RNA)
where:
Base-Base interactions energy: -1408.173
where: short stacking energy: -584.161
Base-Backbone interact. energy: -1.441
local terms energy: -618.596484
where:
bonds (distance) C4'-P energy: -104.614
bonds (distance) P-C4' energy: -106.481
flat angles C4'-P-C4' energy: -139.376
flat angles P-C4'-P energy: -91.594
tors. eta vs tors. theta energy: -176.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1902.802305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.802305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.802305 (E_RNA)
where:
Base-Base interactions energy: -1291.781
where: short stacking energy: -558.774
Base-Backbone interact. energy: -3.543
local terms energy: -607.478589
where:
bonds (distance) C4'-P energy: -105.751
bonds (distance) P-C4' energy: -125.560
flat angles C4'-P-C4' energy: -108.579
flat angles P-C4'-P energy: -94.360
tors. eta vs tors. theta energy: -173.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1880.906439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.906439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.906439 (E_RNA)
where:
Base-Base interactions energy: -1300.389
where: short stacking energy: -528.714
Base-Backbone interact. energy: -0.691
local terms energy: -579.826233
where:
bonds (distance) C4'-P energy: -110.352
bonds (distance) P-C4' energy: -114.934
flat angles C4'-P-C4' energy: -124.830
flat angles P-C4'-P energy: -70.586
tors. eta vs tors. theta energy: -159.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1493.472599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.472599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.472599 (E_RNA)
where:
Base-Base interactions energy: -985.060
where: short stacking energy: -439.497
Base-Backbone interact. energy: -1.423
local terms energy: -506.988895
where:
bonds (distance) C4'-P energy: -103.208
bonds (distance) P-C4' energy: -97.253
flat angles C4'-P-C4' energy: -130.172
flat angles P-C4'-P energy: -72.862
tors. eta vs tors. theta energy: -103.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -1459.945849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.945849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.945849 (E_RNA)
where:
Base-Base interactions energy: -955.560
where: short stacking energy: -442.427
Base-Backbone interact. energy: -0.977
local terms energy: -503.409081
where:
bonds (distance) C4'-P energy: -100.377
bonds (distance) P-C4' energy: -97.054
flat angles C4'-P-C4' energy: -106.188
flat angles P-C4'-P energy: -74.925
tors. eta vs tors. theta energy: -124.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -1271.553053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.553053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.553053 (E_RNA)
where:
Base-Base interactions energy: -833.973
where: short stacking energy: -378.232
Base-Backbone interact. energy: 1.215
local terms energy: -438.794985
where:
bonds (distance) C4'-P energy: -107.474
bonds (distance) P-C4' energy: -72.606
flat angles C4'-P-C4' energy: -109.353
flat angles P-C4'-P energy: -62.811
tors. eta vs tors. theta energy: -86.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -844.442220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.442220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.442220 (E_RNA)
where:
Base-Base interactions energy: -477.529
where: short stacking energy: -242.544
Base-Backbone interact. energy: 2.165
local terms energy: -369.078080
where:
bonds (distance) C4'-P energy: -110.226
bonds (distance) P-C4' energy: -99.044
flat angles C4'-P-C4' energy: -85.847
flat angles P-C4'-P energy: -50.596
tors. eta vs tors. theta energy: -23.366
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: 9, replica: 2
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -741.000617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.000617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.000617 (E_RNA)
where:
Base-Base interactions energy: -363.249
where: short stacking energy: -190.807
Base-Backbone interact. energy: -1.604
local terms energy: -376.148281
where:
bonds (distance) C4'-P energy: -101.736
bonds (distance) P-C4' energy: -106.447
flat angles C4'-P-C4' energy: -101.190
flat angles P-C4'-P energy: -51.350
tors. eta vs tors. theta energy: -15.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -445.665469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.665469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.665469 (E_RNA)
where:
Base-Base interactions energy: -138.563
where: short stacking energy: -128.282
Base-Backbone interact. energy: 1.348
local terms energy: -308.450139
where:
bonds (distance) C4'-P energy: -104.025
bonds (distance) P-C4' energy: -95.713
flat angles C4'-P-C4' energy: -78.629
flat angles P-C4'-P energy: -46.624
tors. eta vs tors. theta energy: 16.542
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: 8
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -2090.252736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.252736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.252736 (E_RNA)
where:
Base-Base interactions energy: -1440.877
where: short stacking energy: -617.869
Base-Backbone interact. energy: -0.731
local terms energy: -648.644570
where:
bonds (distance) C4'-P energy: -118.257
bonds (distance) P-C4' energy: -112.143
flat angles C4'-P-C4' energy: -148.982
flat angles P-C4'-P energy: -91.959
tors. eta vs tors. theta energy: -177.304
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: 7
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -2014.888579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.888579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.888579 (E_RNA)
where:
Base-Base interactions energy: -1376.148
where: short stacking energy: -611.623
Base-Backbone interact. energy: 4.761
local terms energy: -643.502337
where:
bonds (distance) C4'-P energy: -118.564
bonds (distance) P-C4' energy: -122.242
flat angles C4'-P-C4' energy: -135.662
flat angles P-C4'-P energy: -87.010
tors. eta vs tors. theta energy: -180.025
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: 9
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1919.022187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.022187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.022187 (E_RNA)
where:
Base-Base interactions energy: -1319.293
where: short stacking energy: -506.623
Base-Backbone interact. energy: -2.794
local terms energy: -596.935461
where:
bonds (distance) C4'-P energy: -108.624
bonds (distance) P-C4' energy: -119.977
flat angles C4'-P-C4' energy: -128.540
flat angles P-C4'-P energy: -84.312
tors. eta vs tors. theta energy: -155.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1841.433027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.433027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.433027 (E_RNA)
where:
Base-Base interactions energy: -1289.506
where: short stacking energy: -547.832
Base-Backbone interact. energy: -2.991
local terms energy: -548.935685
where:
bonds (distance) C4'-P energy: -100.678
bonds (distance) P-C4' energy: -98.161
flat angles C4'-P-C4' energy: -117.659
flat angles P-C4'-P energy: -73.722
tors. eta vs tors. theta energy: -158.715
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: 10
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1454.727099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.727099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.727099 (E_RNA)
where:
Base-Base interactions energy: -932.684
where: short stacking energy: -404.561
Base-Backbone interact. energy: 0.393
local terms energy: -522.435914
where:
bonds (distance) C4'-P energy: -97.343
bonds (distance) P-C4' energy: -101.123
flat angles C4'-P-C4' energy: -128.918
flat angles P-C4'-P energy: -86.977
tors. eta vs tors. theta energy: -108.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -1470.880638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.880638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.880638 (E_RNA)
where:
Base-Base interactions energy: -974.709
where: short stacking energy: -423.754
Base-Backbone interact. energy: -2.820
local terms energy: -493.351802
where:
bonds (distance) C4'-P energy: -94.876
bonds (distance) P-C4' energy: -104.079
flat angles C4'-P-C4' energy: -117.036
flat angles P-C4'-P energy: -60.907
tors. eta vs tors. theta energy: -116.453
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: 7, replica: 3
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1176.900398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.900398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.900398 (E_RNA)
where:
Base-Base interactions energy: -738.888
where: short stacking energy: -328.588
Base-Backbone interact. energy: -2.285
local terms energy: -435.726532
where:
bonds (distance) C4'-P energy: -98.832
bonds (distance) P-C4' energy: -100.573
flat angles C4'-P-C4' energy: -98.685
flat angles P-C4'-P energy: -64.987
tors. eta vs tors. theta energy: -72.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -862.930644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.930644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.930644 (E_RNA)
where:
Base-Base interactions energy: -451.399
where: short stacking energy: -250.673
Base-Backbone interact. energy: -2.010
local terms energy: -409.521801
where:
bonds (distance) C4'-P energy: -108.581
bonds (distance) P-C4' energy: -115.495
flat angles C4'-P-C4' energy: -85.536
flat angles P-C4'-P energy: -64.671
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: 9, replica: 2
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -742.137453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.137453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.137453 (E_RNA)
where:
Base-Base interactions energy: -388.260
where: short stacking energy: -197.339
Base-Backbone interact. energy: -2.766
local terms energy: -351.110823
where:
bonds (distance) C4'-P energy: -91.434
bonds (distance) P-C4' energy: -114.305
flat angles C4'-P-C4' energy: -104.865
flat angles P-C4'-P energy: -34.596
tors. eta vs tors. theta energy: -5.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -450.534530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.534530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.534530 (E_RNA)
where:
Base-Base interactions energy: -178.624
where: short stacking energy: -132.481
Base-Backbone interact. energy: 3.768
local terms energy: -275.678739
where:
bonds (distance) C4'-P energy: -86.572
bonds (distance) P-C4' energy: -86.706
flat angles C4'-P-C4' energy: -74.227
flat angles P-C4'-P energy: -54.305
tors. eta vs tors. theta energy: 26.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -2090.128052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.128052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.128052 (E_RNA)
where:
Base-Base interactions energy: -1431.540
where: short stacking energy: -616.341
Base-Backbone interact. energy: -3.947
local terms energy: -654.641717
where:
bonds (distance) C4'-P energy: -120.941
bonds (distance) P-C4' energy: -117.186
flat angles C4'-P-C4' energy: -130.580
flat angles P-C4'-P energy: -93.456
tors. eta vs tors. theta energy: -192.479
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: 2, replica: 7
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -2033.538862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.538862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.538862 (E_RNA)
where:
Base-Base interactions energy: -1406.398
where: short stacking energy: -598.906
Base-Backbone interact. energy: -1.033
local terms energy: -626.108780
where:
bonds (distance) C4'-P energy: -110.788
bonds (distance) P-C4' energy: -115.594
flat angles C4'-P-C4' energy: -121.430
flat angles P-C4'-P energy: -97.461
tors. eta vs tors. theta energy: -180.836
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: 9
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1902.990085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.990085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.990085 (E_RNA)
where:
Base-Base interactions energy: -1312.816
where: short stacking energy: -541.893
Base-Backbone interact. energy: 0.191
local terms energy: -590.365683
where:
bonds (distance) C4'-P energy: -107.420
bonds (distance) P-C4' energy: -105.107
flat angles C4'-P-C4' energy: -137.521
flat angles P-C4'-P energy: -80.585
tors. eta vs tors. theta energy: -159.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -1827.282749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.282749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.282749 (E_RNA)
where:
Base-Base interactions energy: -1243.025
where: short stacking energy: -523.814
Base-Backbone interact. energy: -1.422
local terms energy: -582.836003
where:
bonds (distance) C4'-P energy: -105.243
bonds (distance) P-C4' energy: -119.066
flat angles C4'-P-C4' energy: -119.164
flat angles P-C4'-P energy: -82.487
tors. eta vs tors. theta energy: -156.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1468.973712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.973712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.973712 (E_RNA)
where:
Base-Base interactions energy: -948.146
where: short stacking energy: -444.222
Base-Backbone interact. energy: -1.406
local terms energy: -519.422587
where:
bonds (distance) C4'-P energy: -121.700
bonds (distance) P-C4' energy: -101.658
flat angles C4'-P-C4' energy: -105.464
flat angles P-C4'-P energy: -68.534
tors. eta vs tors. theta energy: -122.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -1472.573150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.573150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.573150 (E_RNA)
where:
Base-Base interactions energy: -955.928
where: short stacking energy: -426.386
Base-Backbone interact. energy: -1.094
local terms energy: -515.550546
where:
bonds (distance) C4'-P energy: -92.445
bonds (distance) P-C4' energy: -111.733
flat angles C4'-P-C4' energy: -120.789
flat angles P-C4'-P energy: -68.985
tors. eta vs tors. theta energy: -121.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1176.113144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.113144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.113144 (E_RNA)
where:
Base-Base interactions energy: -733.028
where: short stacking energy: -311.102
Base-Backbone interact. energy: -4.449
local terms energy: -438.635829
where:
bonds (distance) C4'-P energy: -104.008
bonds (distance) P-C4' energy: -107.121
flat angles C4'-P-C4' energy: -104.174
flat angles P-C4'-P energy: -76.140
tors. eta vs tors. theta energy: -47.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -885.315546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.315546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.315546 (E_RNA)
where:
Base-Base interactions energy: -481.629
where: short stacking energy: -223.972
Base-Backbone interact. energy: -1.612
local terms energy: -402.073973
where:
bonds (distance) C4'-P energy: -101.011
bonds (distance) P-C4' energy: -116.634
flat angles C4'-P-C4' energy: -102.659
flat angles P-C4'-P energy: -63.563
tors. eta vs tors. theta energy: -18.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -731.035669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.035669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.035669 (E_RNA)
where:
Base-Base interactions energy: -395.577
where: short stacking energy: -216.430
Base-Backbone interact. energy: -2.667
local terms energy: -332.792000
where:
bonds (distance) C4'-P energy: -99.072
bonds (distance) P-C4' energy: -96.174
flat angles C4'-P-C4' energy: -92.392
flat angles P-C4'-P energy: -41.681
tors. eta vs tors. theta energy: -3.472
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: 6
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -425.654934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.654934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.654934 (E_RNA)
where:
Base-Base interactions energy: -136.993
where: short stacking energy: -124.677
Base-Backbone interact. energy: -1.164
local terms energy: -287.497453
where:
bonds (distance) C4'-P energy: -94.524
bonds (distance) P-C4' energy: -92.499
flat angles C4'-P-C4' energy: -80.920
flat angles P-C4'-P energy: -49.746
tors. eta vs tors. theta energy: 30.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -2099.289740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.289740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.289740 (E_RNA)
where:
Base-Base interactions energy: -1422.765
where: short stacking energy: -614.164
Base-Backbone interact. energy: -1.563
local terms energy: -674.961380
where:
bonds (distance) C4'-P energy: -117.759
bonds (distance) P-C4' energy: -133.470
flat angles C4'-P-C4' energy: -135.007
flat angles P-C4'-P energy: -94.357
tors. eta vs tors. theta energy: -194.369
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: 2, replica: 7
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -2038.355367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.355367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.355367 (E_RNA)
where:
Base-Base interactions energy: -1413.212
where: short stacking energy: -572.561
Base-Backbone interact. energy: -1.733
local terms energy: -623.410135
where:
bonds (distance) C4'-P energy: -116.779
bonds (distance) P-C4' energy: -110.270
flat angles C4'-P-C4' energy: -135.007
flat angles P-C4'-P energy: -98.925
tors. eta vs tors. theta energy: -162.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1928.498304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.498304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.498304 (E_RNA)
where:
Base-Base interactions energy: -1328.567
where: short stacking energy: -559.330
Base-Backbone interact. energy: -3.068
local terms energy: -596.863460
where:
bonds (distance) C4'-P energy: -113.216
bonds (distance) P-C4' energy: -102.340
flat angles C4'-P-C4' energy: -129.449
flat angles P-C4'-P energy: -83.366
tors. eta vs tors. theta energy: -168.492
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: 4
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1802.064824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.064824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.064824 (E_RNA)
where:
Base-Base interactions energy: -1230.627
where: short stacking energy: -517.052
Base-Backbone interact. energy: -2.196
local terms energy: -569.241268
where:
bonds (distance) C4'-P energy: -91.124
bonds (distance) P-C4' energy: -108.736
flat angles C4'-P-C4' energy: -117.418
flat angles P-C4'-P energy: -87.025
tors. eta vs tors. theta energy: -164.938
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: 10
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1489.217483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.217483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.217483 (E_RNA)
where:
Base-Base interactions energy: -972.038
where: short stacking energy: -409.618
Base-Backbone interact. energy: 2.848
local terms energy: -520.027520
where:
bonds (distance) C4'-P energy: -112.240
bonds (distance) P-C4' energy: -107.524
flat angles C4'-P-C4' energy: -117.319
flat angles P-C4'-P energy: -68.866
tors. eta vs tors. theta energy: -114.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -1464.451118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.451118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.451118 (E_RNA)
where:
Base-Base interactions energy: -976.641
where: short stacking energy: -437.479
Base-Backbone interact. energy: -0.439
local terms energy: -487.370132
where:
bonds (distance) C4'-P energy: -102.549
bonds (distance) P-C4' energy: -93.753
flat angles C4'-P-C4' energy: -92.426
flat angles P-C4'-P energy: -71.755
tors. eta vs tors. theta energy: -126.886
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: 3
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1119.082694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.082694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.082694 (E_RNA)
where:
Base-Base interactions energy: -681.534
where: short stacking energy: -322.573
Base-Backbone interact. energy: -1.562
local terms energy: -435.987067
where:
bonds (distance) C4'-P energy: -80.309
bonds (distance) P-C4' energy: -95.023
flat angles C4'-P-C4' energy: -115.256
flat angles P-C4'-P energy: -74.568
tors. eta vs tors. theta energy: -70.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -842.845234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.845234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.845234 (E_RNA)
where:
Base-Base interactions energy: -484.413
where: short stacking energy: -240.664
Base-Backbone interact. energy: 0.336
local terms energy: -358.769014
where:
bonds (distance) C4'-P energy: -77.086
bonds (distance) P-C4' energy: -102.920
flat angles C4'-P-C4' energy: -88.836
flat angles P-C4'-P energy: -66.938
tors. eta vs tors. theta energy: -22.989
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: 2
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -741.434681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.434681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.434681 (E_RNA)
where:
Base-Base interactions energy: -391.728
where: short stacking energy: -187.102
Base-Backbone interact. energy: 2.960
local terms energy: -352.666785
where:
bonds (distance) C4'-P energy: -94.493
bonds (distance) P-C4' energy: -96.800
flat angles C4'-P-C4' energy: -90.389
flat angles P-C4'-P energy: -51.838
tors. eta vs tors. theta energy: -19.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -459.936905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.936905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.936905 (E_RNA)
where:
Base-Base interactions energy: -139.839
where: short stacking energy: -103.157
Base-Backbone interact. energy: -1.053
local terms energy: -319.044811
where:
bonds (distance) C4'-P energy: -102.034
bonds (distance) P-C4' energy: -117.192
flat angles C4'-P-C4' energy: -87.023
flat angles P-C4'-P energy: -34.354
tors. eta vs tors. theta energy: 21.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -2118.492112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.492112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.492112 (E_RNA)
where:
Base-Base interactions energy: -1454.585
where: short stacking energy: -634.286
Base-Backbone interact. energy: 0.332
local terms energy: -664.239025
where:
bonds (distance) C4'-P energy: -123.287
bonds (distance) P-C4' energy: -120.618
flat angles C4'-P-C4' energy: -131.191
flat angles P-C4'-P energy: -94.239
tors. eta vs tors. theta energy: -194.904
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: 2, replica: 7
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1995.575030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.575030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.575030 (E_RNA)
where:
Base-Base interactions energy: -1406.816
where: short stacking energy: -601.146
Base-Backbone interact. energy: -0.929
local terms energy: -587.829802
where:
bonds (distance) C4'-P energy: -111.331
bonds (distance) P-C4' energy: -115.147
flat angles C4'-P-C4' energy: -113.845
flat angles P-C4'-P energy: -71.939
tors. eta vs tors. theta energy: -175.566
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: 9
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1936.988676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.988676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.988676 (E_RNA)
where:
Base-Base interactions energy: -1328.037
where: short stacking energy: -534.277
Base-Backbone interact. energy: -3.994
local terms energy: -604.957192
where:
bonds (distance) C4'-P energy: -98.872
bonds (distance) P-C4' energy: -129.553
flat angles C4'-P-C4' energy: -139.971
flat angles P-C4'-P energy: -78.960
tors. eta vs tors. theta energy: -157.601
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: 4
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -1859.023771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.023771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.023771 (E_RNA)
where:
Base-Base interactions energy: -1300.724
where: short stacking energy: -537.904
Base-Backbone interact. energy: -3.694
local terms energy: -554.605767
where:
bonds (distance) C4'-P energy: -93.384
bonds (distance) P-C4' energy: -109.102
flat angles C4'-P-C4' energy: -111.445
flat angles P-C4'-P energy: -83.600
tors. eta vs tors. theta energy: -157.074
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: 10
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1544.558238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.558238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.558238 (E_RNA)
where:
Base-Base interactions energy: -1015.301
where: short stacking energy: -454.413
Base-Backbone interact. energy: -1.162
local terms energy: -528.095260
where:
bonds (distance) C4'-P energy: -103.758
bonds (distance) P-C4' energy: -102.196
flat angles C4'-P-C4' energy: -125.645
flat angles P-C4'-P energy: -74.644
tors. eta vs tors. theta energy: -121.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1484.850378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.850378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.850378 (E_RNA)
where:
Base-Base interactions energy: -979.073
where: short stacking energy: -443.848
Base-Backbone interact. energy: -2.749
local terms energy: -503.028410
where:
bonds (distance) C4'-P energy: -105.854
bonds (distance) P-C4' energy: -96.648
flat angles C4'-P-C4' energy: -98.337
flat angles P-C4'-P energy: -70.956
tors. eta vs tors. theta energy: -131.232
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: 3
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1078.620066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.620066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.620066 (E_RNA)
where:
Base-Base interactions energy: -642.192
where: short stacking energy: -295.656
Base-Backbone interact. energy: -2.140
local terms energy: -434.288239
where:
bonds (distance) C4'-P energy: -91.991
bonds (distance) P-C4' energy: -107.451
flat angles C4'-P-C4' energy: -93.807
flat angles P-C4'-P energy: -76.226
tors. eta vs tors. theta energy: -64.813
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: 5
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -862.629486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.629486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.629486 (E_RNA)
where:
Base-Base interactions energy: -485.907
where: short stacking energy: -247.535
Base-Backbone interact. energy: -1.712
local terms energy: -375.009834
where:
bonds (distance) C4'-P energy: -107.546
bonds (distance) P-C4' energy: -88.579
flat angles C4'-P-C4' energy: -103.038
flat angles P-C4'-P energy: -57.203
tors. eta vs tors. theta energy: -18.645
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: 9, replica: 2
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -749.036953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.036953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.036953 (E_RNA)
where:
Base-Base interactions energy: -406.741
where: short stacking energy: -228.134
Base-Backbone interact. energy: -0.614
local terms energy: -341.681798
where:
bonds (distance) C4'-P energy: -97.185
bonds (distance) P-C4' energy: -82.358
flat angles C4'-P-C4' energy: -92.774
flat angles P-C4'-P energy: -57.498
tors. eta vs tors. theta energy: -11.867
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: 10, replica: 6
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -466.359573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.359573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.359573 (E_RNA)
where:
Base-Base interactions energy: -158.453
where: short stacking energy: -145.306
Base-Backbone interact. energy: -1.834
local terms energy: -306.072262
where:
bonds (distance) C4'-P energy: -87.795
bonds (distance) P-C4' energy: -96.007
flat angles C4'-P-C4' energy: -84.106
flat angles P-C4'-P energy: -52.346
tors. eta vs tors. theta energy: 14.181
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: 1, replica: 8
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -2127.826028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.826028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.826028 (E_RNA)
where:
Base-Base interactions energy: -1467.735
where: short stacking energy: -610.587
Base-Backbone interact. energy: -2.389
local terms energy: -657.702183
where:
bonds (distance) C4'-P energy: -108.788
bonds (distance) P-C4' energy: -117.518
flat angles C4'-P-C4' energy: -139.944
flat angles P-C4'-P energy: -96.886
tors. eta vs tors. theta energy: -194.566
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: 2, replica: 7
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -2015.977909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.977909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.977909 (E_RNA)
where:
Base-Base interactions energy: -1387.994
where: short stacking energy: -569.892
Base-Backbone interact. energy: -1.912
local terms energy: -626.071420
where:
bonds (distance) C4'-P energy: -110.492
bonds (distance) P-C4' energy: -126.847
flat angles C4'-P-C4' energy: -125.646
flat angles P-C4'-P energy: -81.109
tors. eta vs tors. theta energy: -181.977
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: 250
Temperature: 1.000000
Total energy: -1947.890456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.890456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.890456 (E_RNA)
where:
Base-Base interactions energy: -1345.891
where: short stacking energy: -539.519
Base-Backbone interact. energy: 0.083
local terms energy: -602.082742
where:
bonds (distance) C4'-P energy: -99.148
bonds (distance) P-C4' energy: -116.450
flat angles C4'-P-C4' energy: -130.673
flat angles P-C4'-P energy: -85.181
tors. eta vs tors. theta energy: -170.631
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: 4, replica: 4
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1869.761252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.761252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.761252 (E_RNA)
where:
Base-Base interactions energy: -1285.224
where: short stacking energy: -551.773
Base-Backbone interact. energy: 2.445
local terms energy: -586.981927
where:
bonds (distance) C4'-P energy: -115.522
bonds (distance) P-C4' energy: -105.843
flat angles C4'-P-C4' energy: -120.304
flat angles P-C4'-P energy: -86.939
tors. eta vs tors. theta energy: -158.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -1483.035519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.035519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.035519 (E_RNA)
where:
Base-Base interactions energy: -956.832
where: short stacking energy: -456.910
Base-Backbone interact. energy: 0.632
local terms energy: -526.835866
where:
bonds (distance) C4'-P energy: -110.565
bonds (distance) P-C4' energy: -95.466
flat angles C4'-P-C4' energy: -120.541
flat angles P-C4'-P energy: -79.805
tors. eta vs tors. theta energy: -120.459
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: 1
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -1435.011059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.011059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.011059 (E_RNA)
where:
Base-Base interactions energy: -948.902
where: short stacking energy: -428.461
Base-Backbone interact. energy: -1.311
local terms energy: -484.798137
where:
bonds (distance) C4'-P energy: -87.577
bonds (distance) P-C4' energy: -96.587
flat angles C4'-P-C4' energy: -106.882
flat angles P-C4'-P energy: -76.411
tors. eta vs tors. theta energy: -117.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -1111.820077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.820077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.820077 (E_RNA)
where:
Base-Base interactions energy: -659.001
where: short stacking energy: -293.935
Base-Backbone interact. energy: -1.924
local terms energy: -450.895102
where:
bonds (distance) C4'-P energy: -98.123
bonds (distance) P-C4' energy: -102.913
flat angles C4'-P-C4' energy: -106.634
flat angles P-C4'-P energy: -63.785
tors. eta vs tors. theta energy: -79.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -773.982557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.982557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.982557 (E_RNA)
where:
Base-Base interactions energy: -401.807
where: short stacking energy: -200.050
Base-Backbone interact. energy: -1.610
local terms energy: -370.565585
where:
bonds (distance) C4'-P energy: -87.261
bonds (distance) P-C4' energy: -91.983
flat angles C4'-P-C4' energy: -90.953
flat angles P-C4'-P energy: -65.341
tors. eta vs tors. theta energy: -35.028
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: 9, replica: 2
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -696.278186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.278186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.278186 (E_RNA)
where:
Base-Base interactions energy: -380.651
where: short stacking energy: -191.445
Base-Backbone interact. energy: -1.060
local terms energy: -314.567110
where:
bonds (distance) C4'-P energy: -91.921
bonds (distance) P-C4' energy: -103.328
flat angles C4'-P-C4' energy: -62.047
flat angles P-C4'-P energy: -54.625
tors. eta vs tors. theta energy: -2.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -454.701004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.701004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.701004 (E_RNA)
where:
Base-Base interactions energy: -162.417
where: short stacking energy: -146.788
Base-Backbone interact. energy: -1.163
local terms energy: -291.120811
where:
bonds (distance) C4'-P energy: -98.179
bonds (distance) P-C4' energy: -96.821
flat angles C4'-P-C4' energy: -59.763
flat angles P-C4'-P energy: -49.322
tors. eta vs tors. theta energy: 12.964
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: 8
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -2091.143544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.143544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.143544 (E_RNA)
where:
Base-Base interactions energy: -1444.993
where: short stacking energy: -621.219
Base-Backbone interact. energy: -1.842
local terms energy: -644.307952
where:
bonds (distance) C4'-P energy: -112.863
bonds (distance) P-C4' energy: -121.411
flat angles C4'-P-C4' energy: -129.498
flat angles P-C4'-P energy: -97.932
tors. eta vs tors. theta energy: -182.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -2044.931148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.931148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.931148 (E_RNA)
where:
Base-Base interactions energy: -1425.059
where: short stacking energy: -616.687
Base-Backbone interact. energy: -3.245
local terms energy: -616.627168
where:
bonds (distance) C4'-P energy: -108.781
bonds (distance) P-C4' energy: -91.182
flat angles C4'-P-C4' energy: -138.374
flat angles P-C4'-P energy: -90.405
tors. eta vs tors. theta energy: -187.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -1943.057323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.057323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.057323 (E_RNA)
where:
Base-Base interactions energy: -1358.795
where: short stacking energy: -554.780
Base-Backbone interact. energy: -2.398
local terms energy: -581.864892
where:
bonds (distance) C4'-P energy: -95.852
bonds (distance) P-C4' energy: -104.146
flat angles C4'-P-C4' energy: -122.352
flat angles P-C4'-P energy: -95.839
tors. eta vs tors. theta energy: -163.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1836.861500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.861500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.861500 (E_RNA)
where:
Base-Base interactions energy: -1265.734
where: short stacking energy: -522.130
Base-Backbone interact. energy: -0.789
local terms energy: -570.338452
where:
bonds (distance) C4'-P energy: -112.059
bonds (distance) P-C4' energy: -88.278
flat angles C4'-P-C4' energy: -125.436
flat angles P-C4'-P energy: -76.091
tors. eta vs tors. theta energy: -168.475
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: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1487.320790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.320790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.320790 (E_RNA)
where:
Base-Base interactions energy: -997.656
where: short stacking energy: -435.328
Base-Backbone interact. energy: 2.468
local terms energy: -492.133374
where:
bonds (distance) C4'-P energy: -78.518
bonds (distance) P-C4' energy: -116.918
flat angles C4'-P-C4' energy: -117.332
flat angles P-C4'-P energy: -64.261
tors. eta vs tors. theta energy: -115.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -1397.959347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.959347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.959347 (E_RNA)
where:
Base-Base interactions energy: -895.797
where: short stacking energy: -408.794
Base-Backbone interact. energy: 1.782
local terms energy: -503.944257
where:
bonds (distance) C4'-P energy: -94.751
bonds (distance) P-C4' energy: -116.663
flat angles C4'-P-C4' energy: -109.102
flat angles P-C4'-P energy: -68.579
tors. eta vs tors. theta energy: -114.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1028.751496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.751496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.751496 (E_RNA)
where:
Base-Base interactions energy: -588.680
where: short stacking energy: -281.037
Base-Backbone interact. energy: -1.289
local terms energy: -438.783004
where:
bonds (distance) C4'-P energy: -99.869
bonds (distance) P-C4' energy: -100.617
flat angles C4'-P-C4' energy: -95.583
flat angles P-C4'-P energy: -80.923
tors. eta vs tors. theta energy: -61.791
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: 8, replica: 5
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -860.544408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.544408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.544408 (E_RNA)
where:
Base-Base interactions energy: -494.799
where: short stacking energy: -265.265
Base-Backbone interact. energy: -3.614
local terms energy: -362.131239
where:
bonds (distance) C4'-P energy: -77.953
bonds (distance) P-C4' energy: -110.990
flat angles C4'-P-C4' energy: -98.171
flat angles P-C4'-P energy: -47.335
tors. eta vs tors. theta energy: -27.682
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: 2
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -657.558143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.558143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.558143 (E_RNA)
where:
Base-Base interactions energy: -332.394
where: short stacking energy: -204.551
Base-Backbone interact. energy: -1.152
local terms energy: -324.012269
where:
bonds (distance) C4'-P energy: -92.636
bonds (distance) P-C4' energy: -94.028
flat angles C4'-P-C4' energy: -78.329
flat angles P-C4'-P energy: -53.200
tors. eta vs tors. theta energy: -5.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -510.227244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.227244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.227244 (E_RNA)
where:
Base-Base interactions energy: -217.433
where: short stacking energy: -151.459
Base-Backbone interact. energy: -0.782
local terms energy: -292.012266
where:
bonds (distance) C4'-P energy: -88.917
bonds (distance) P-C4' energy: -103.282
flat angles C4'-P-C4' energy: -68.039
flat angles P-C4'-P energy: -43.968
tors. eta vs tors. theta energy: 12.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -2075.288237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.288237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.288237 (E_RNA)
where:
Base-Base interactions energy: -1444.669
where: short stacking energy: -618.899
Base-Backbone interact. energy: -2.412
local terms energy: -628.207872
where:
bonds (distance) C4'-P energy: -109.999
bonds (distance) P-C4' energy: -122.636
flat angles C4'-P-C4' energy: -124.627
flat angles P-C4'-P energy: -88.580
tors. eta vs tors. theta energy: -182.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -2060.292083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.292083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.292083 (E_RNA)
where:
Base-Base interactions energy: -1424.717
where: short stacking energy: -599.724
Base-Backbone interact. energy: -0.166
local terms energy: -635.409665
where:
bonds (distance) C4'-P energy: -108.108
bonds (distance) P-C4' energy: -117.305
flat angles C4'-P-C4' energy: -131.886
flat angles P-C4'-P energy: -97.804
tors. eta vs tors. theta energy: -180.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -1894.583419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.583419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.583419 (E_RNA)
where:
Base-Base interactions energy: -1308.349
where: short stacking energy: -508.923
Base-Backbone interact. energy: -2.980
local terms energy: -583.254853
where:
bonds (distance) C4'-P energy: -111.315
bonds (distance) P-C4' energy: -100.305
flat angles C4'-P-C4' energy: -128.694
flat angles P-C4'-P energy: -91.591
tors. eta vs tors. theta energy: -151.351
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: 4, replica: 4
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1778.408391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.408391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.408391 (E_RNA)
where:
Base-Base interactions energy: -1223.379
where: short stacking energy: -517.781
Base-Backbone interact. energy: 1.239
local terms energy: -556.268867
where:
bonds (distance) C4'-P energy: -109.893
bonds (distance) P-C4' energy: -98.685
flat angles C4'-P-C4' energy: -126.535
flat angles P-C4'-P energy: -78.374
tors. eta vs tors. theta energy: -142.781
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: 5, replica: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1530.890043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.890043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.890043 (E_RNA)
where:
Base-Base interactions energy: -1007.004
where: short stacking energy: -441.218
Base-Backbone interact. energy: -1.604
local terms energy: -522.282301
where:
bonds (distance) C4'-P energy: -90.262
bonds (distance) P-C4' energy: -100.280
flat angles C4'-P-C4' energy: -116.591
flat angles P-C4'-P energy: -83.826
tors. eta vs tors. theta energy: -131.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -1350.157456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.157456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.157456 (E_RNA)
where:
Base-Base interactions energy: -844.026
where: short stacking energy: -366.537
Base-Backbone interact. energy: -2.273
local terms energy: -503.858958
where:
bonds (distance) C4'-P energy: -103.499
bonds (distance) P-C4' energy: -109.065
flat angles C4'-P-C4' energy: -113.776
flat angles P-C4'-P energy: -71.249
tors. eta vs tors. theta energy: -106.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -1089.338805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.338805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.338805 (E_RNA)
where:
Base-Base interactions energy: -618.622
where: short stacking energy: -312.725
Base-Backbone interact. energy: -0.865
local terms energy: -469.851315
where:
bonds (distance) C4'-P energy: -99.986
bonds (distance) P-C4' energy: -114.762
flat angles C4'-P-C4' energy: -107.476
flat angles P-C4'-P energy: -69.357
tors. eta vs tors. theta energy: -78.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -851.017696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.017696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.017696 (E_RNA)
where:
Base-Base interactions energy: -496.271
where: short stacking energy: -253.155
Base-Backbone interact. energy: 1.568
local terms energy: -356.314681
where:
bonds (distance) C4'-P energy: -89.117
bonds (distance) P-C4' energy: -97.467
flat angles C4'-P-C4' energy: -86.614
flat angles P-C4'-P energy: -55.529
tors. eta vs tors. theta energy: -27.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -713.718645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.718645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.718645 (E_RNA)
where:
Base-Base interactions energy: -375.876
where: short stacking energy: -211.306
Base-Backbone interact. energy: -2.487
local terms energy: -335.355417
where:
bonds (distance) C4'-P energy: -81.349
bonds (distance) P-C4' energy: -102.771
flat angles C4'-P-C4' energy: -88.441
flat angles P-C4'-P energy: -49.167
tors. eta vs tors. theta energy: -13.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -455.324310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.324310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.324310 (E_RNA)
where:
Base-Base interactions energy: -152.313
where: short stacking energy: -130.515
Base-Backbone interact. energy: 8.546
local terms energy: -311.556953
where:
bonds (distance) C4'-P energy: -100.902
bonds (distance) P-C4' energy: -85.817
flat angles C4'-P-C4' energy: -93.403
flat angles P-C4'-P energy: -54.807
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: 7
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -2055.712935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.712935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.712935 (E_RNA)
where:
Base-Base interactions energy: -1415.435
where: short stacking energy: -585.760
Base-Backbone interact. energy: -3.116
local terms energy: -637.161966
where:
bonds (distance) C4'-P energy: -124.038
bonds (distance) P-C4' energy: -120.341
flat angles C4'-P-C4' energy: -136.317
flat angles P-C4'-P energy: -75.083
tors. eta vs tors. theta energy: -181.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -2061.616419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.616419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.616419 (E_RNA)
where:
Base-Base interactions energy: -1430.316
where: short stacking energy: -604.664
Base-Backbone interact. energy: 1.006
local terms energy: -632.306324
where:
bonds (distance) C4'-P energy: -123.270
bonds (distance) P-C4' energy: -105.637
flat angles C4'-P-C4' energy: -126.742
flat angles P-C4'-P energy: -79.889
tors. eta vs tors. theta energy: -196.768
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: 9
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -1929.165840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.165840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.165840 (E_RNA)
where:
Base-Base interactions energy: -1331.945
where: short stacking energy: -533.142
Base-Backbone interact. energy: -3.119
local terms energy: -594.101522
where:
bonds (distance) C4'-P energy: -106.275
bonds (distance) P-C4' energy: -117.699
flat angles C4'-P-C4' energy: -119.667
flat angles P-C4'-P energy: -82.678
tors. eta vs tors. theta energy: -167.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -1804.599370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.599370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.599370 (E_RNA)
where:
Base-Base interactions energy: -1234.397
where: short stacking energy: -500.805
Base-Backbone interact. energy: 4.553
local terms energy: -574.754687
where:
bonds (distance) C4'-P energy: -107.767
bonds (distance) P-C4' energy: -116.475
flat angles C4'-P-C4' energy: -112.911
flat angles P-C4'-P energy: -89.913
tors. eta vs tors. theta energy: -147.689
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: 5, replica: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1484.568044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.568044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.568044 (E_RNA)
where:
Base-Base interactions energy: -963.562
where: short stacking energy: -422.626
Base-Backbone interact. energy: 0.397
local terms energy: -521.403054
where:
bonds (distance) C4'-P energy: -115.126
bonds (distance) P-C4' energy: -106.547
flat angles C4'-P-C4' energy: -107.026
flat angles P-C4'-P energy: -72.504
tors. eta vs tors. theta energy: -120.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1333.368398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.368398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.368398 (E_RNA)
where:
Base-Base interactions energy: -846.662
where: short stacking energy: -409.336
Base-Backbone interact. energy: -3.777
local terms energy: -482.929667
where:
bonds (distance) C4'-P energy: -112.807
bonds (distance) P-C4' energy: -96.627
flat angles C4'-P-C4' energy: -111.947
flat angles P-C4'-P energy: -67.529
tors. eta vs tors. theta energy: -94.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1168.345711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.345711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.345711 (E_RNA)
where:
Base-Base interactions energy: -720.956
where: short stacking energy: -316.414
Base-Backbone interact. energy: 0.851
local terms energy: -448.240642
where:
bonds (distance) C4'-P energy: -103.145
bonds (distance) P-C4' energy: -106.780
flat angles C4'-P-C4' energy: -102.000
flat angles P-C4'-P energy: -56.252
tors. eta vs tors. theta energy: -80.064
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: 2
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -808.100205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.100205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.100205 (E_RNA)
where:
Base-Base interactions energy: -452.766
where: short stacking energy: -245.371
Base-Backbone interact. energy: -4.474
local terms energy: -350.860813
where:
bonds (distance) C4'-P energy: -96.564
bonds (distance) P-C4' energy: -83.971
flat angles C4'-P-C4' energy: -71.738
flat angles P-C4'-P energy: -67.556
tors. eta vs tors. theta energy: -31.031
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: 253
Temperature: 1.300000
Total energy: -740.959059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.959059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.959059 (E_RNA)
where:
Base-Base interactions energy: -402.030
where: short stacking energy: -174.666
Base-Backbone interact. energy: -0.020
local terms energy: -338.908972
where:
bonds (distance) C4'-P energy: -100.242
bonds (distance) P-C4' energy: -94.865
flat angles C4'-P-C4' energy: -94.803
flat angles P-C4'-P energy: -42.502
tors. eta vs tors. theta energy: -6.496
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: 6
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -450.911478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.911478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.911478 (E_RNA)
where:
Base-Base interactions energy: -159.917
where: short stacking energy: -140.929
Base-Backbone interact. energy: 1.786
local terms energy: -292.780517
where:
bonds (distance) C4'-P energy: -82.783
bonds (distance) P-C4' energy: -105.337
flat angles C4'-P-C4' energy: -68.572
flat angles P-C4'-P energy: -62.176
tors. eta vs tors. theta energy: 26.088
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: 1, replica: 8
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -2121.186564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.186564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.186564 (E_RNA)
where:
Base-Base interactions energy: -1455.731
where: short stacking energy: -617.672
Base-Backbone interact. energy: -3.104
local terms energy: -662.351085
where:
bonds (distance) C4'-P energy: -109.818
bonds (distance) P-C4' energy: -125.547
flat angles C4'-P-C4' energy: -135.087
flat angles P-C4'-P energy: -101.831
tors. eta vs tors. theta energy: -190.067
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: 2, replica: 7
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1998.524591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.524591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.524591 (E_RNA)
where:
Base-Base interactions energy: -1374.592
where: short stacking energy: -565.013
Base-Backbone interact. energy: -2.423
local terms energy: -621.509855
where:
bonds (distance) C4'-P energy: -113.620
bonds (distance) P-C4' energy: -128.331
flat angles C4'-P-C4' energy: -128.503
flat angles P-C4'-P energy: -83.974
tors. eta vs tors. theta energy: -167.083
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: 254
Temperature: 1.000000
Total energy: -1905.162308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.162308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.162308 (E_RNA)
where:
Base-Base interactions energy: -1333.257
where: short stacking energy: -502.698
Base-Backbone interact. energy: -0.767
local terms energy: -571.137800
where:
bonds (distance) C4'-P energy: -105.503
bonds (distance) P-C4' energy: -103.325
flat angles C4'-P-C4' energy: -129.671
flat angles P-C4'-P energy: -82.914
tors. eta vs tors. theta energy: -149.724
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: 4, replica: 4
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -1810.547070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.547070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.547070 (E_RNA)
where:
Base-Base interactions energy: -1274.606
where: short stacking energy: -527.543
Base-Backbone interact. energy: -1.740
local terms energy: -534.200953
where:
bonds (distance) C4'-P energy: -90.767
bonds (distance) P-C4' energy: -112.422
flat angles C4'-P-C4' energy: -117.261
flat angles P-C4'-P energy: -76.003
tors. eta vs tors. theta energy: -137.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1537.660310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.660310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.660310 (E_RNA)
where:
Base-Base interactions energy: -1021.833
where: short stacking energy: -461.855
Base-Backbone interact. energy: 1.697
local terms energy: -517.523815
where:
bonds (distance) C4'-P energy: -101.479
bonds (distance) P-C4' energy: -99.075
flat angles C4'-P-C4' energy: -110.822
flat angles P-C4'-P energy: -83.167
tors. eta vs tors. theta energy: -122.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -1305.459188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.459188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.459188 (E_RNA)
where:
Base-Base interactions energy: -835.452
where: short stacking energy: -363.959
Base-Backbone interact. energy: -1.214
local terms energy: -468.793405
where:
bonds (distance) C4'-P energy: -91.343
bonds (distance) P-C4' energy: -111.651
flat angles C4'-P-C4' energy: -114.097
flat angles P-C4'-P energy: -63.959
tors. eta vs tors. theta energy: -87.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1152.076896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.076896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.076896 (E_RNA)
where:
Base-Base interactions energy: -720.595
where: short stacking energy: -364.097
Base-Backbone interact. energy: -0.410
local terms energy: -431.071729
where:
bonds (distance) C4'-P energy: -97.263
bonds (distance) P-C4' energy: -113.196
flat angles C4'-P-C4' energy: -85.122
flat angles P-C4'-P energy: -46.432
tors. eta vs tors. theta energy: -89.059
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: 8, replica: 2
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -803.792396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.792396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.792396 (E_RNA)
where:
Base-Base interactions energy: -446.418
where: short stacking energy: -204.813
Base-Backbone interact. energy: 1.303
local terms energy: -358.677265
where:
bonds (distance) C4'-P energy: -86.937
bonds (distance) P-C4' energy: -106.319
flat angles C4'-P-C4' energy: -84.793
flat angles P-C4'-P energy: -65.203
tors. eta vs tors. theta energy: -15.425
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: 6
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -527.575119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.575119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.575119 (E_RNA)
where:
Base-Base interactions energy: -185.643
where: short stacking energy: -151.484
Base-Backbone interact. energy: -2.412
local terms energy: -339.519511
where:
bonds (distance) C4'-P energy: -91.427
bonds (distance) P-C4' energy: -108.096
flat angles C4'-P-C4' energy: -83.391
flat angles P-C4'-P energy: -59.776
tors. eta vs tors. theta energy: 3.170
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: 5
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -670.493812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.493812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.493812 (E_RNA)
where:
Base-Base interactions energy: -342.088
where: short stacking energy: -161.603
Base-Backbone interact. energy: 0.048
local terms energy: -328.453818
where:
bonds (distance) C4'-P energy: -94.152
bonds (distance) P-C4' energy: -101.864
flat angles C4'-P-C4' energy: -81.400
flat angles P-C4'-P energy: -51.214
tors. eta vs tors. theta energy: 0.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -2103.058259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.058259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.058259 (E_RNA)
where:
Base-Base interactions energy: -1440.348
where: short stacking energy: -617.027
Base-Backbone interact. energy: 0.051
local terms energy: -662.761321
where:
bonds (distance) C4'-P energy: -109.226
bonds (distance) P-C4' energy: -124.597
flat angles C4'-P-C4' energy: -140.391
flat angles P-C4'-P energy: -94.449
tors. eta vs tors. theta energy: -194.098
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: 7
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1993.018637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.018637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.018637 (E_RNA)
where:
Base-Base interactions energy: -1371.810
where: short stacking energy: -584.699
Base-Backbone interact. energy: -1.648
local terms energy: -619.561057
where:
bonds (distance) C4'-P energy: -123.470
bonds (distance) P-C4' energy: -119.849
flat angles C4'-P-C4' energy: -125.251
flat angles P-C4'-P energy: -84.642
tors. eta vs tors. theta energy: -166.350
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: 9
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -1875.243931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.243931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.243931 (E_RNA)
where:
Base-Base interactions energy: -1284.100
where: short stacking energy: -515.540
Base-Backbone interact. energy: -3.526
local terms energy: -587.617317
where:
bonds (distance) C4'-P energy: -105.977
bonds (distance) P-C4' energy: -116.697
flat angles C4'-P-C4' energy: -131.328
flat angles P-C4'-P energy: -81.674
tors. eta vs tors. theta energy: -151.942
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: 4
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -1814.545113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.545113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.545113 (E_RNA)
where:
Base-Base interactions energy: -1257.621
where: short stacking energy: -517.174
Base-Backbone interact. energy: 2.295
local terms energy: -559.218530
where:
bonds (distance) C4'-P energy: -109.383
bonds (distance) P-C4' energy: -96.266
flat angles C4'-P-C4' energy: -125.917
flat angles P-C4'-P energy: -76.910
tors. eta vs tors. theta energy: -150.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1611.935231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.935231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.935231 (E_RNA)
where:
Base-Base interactions energy: -1055.572
where: short stacking energy: -477.145
Base-Backbone interact. energy: 0.291
local terms energy: -556.654532
where:
bonds (distance) C4'-P energy: -105.722
bonds (distance) P-C4' energy: -109.503
flat angles C4'-P-C4' energy: -118.762
flat angles P-C4'-P energy: -78.971
tors. eta vs tors. theta energy: -143.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -1254.972361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.972361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.972361 (E_RNA)
where:
Base-Base interactions energy: -806.864
where: short stacking energy: -351.630
Base-Backbone interact. energy: -2.855
local terms energy: -445.253703
where:
bonds (distance) C4'-P energy: -113.382
bonds (distance) P-C4' energy: -110.577
flat angles C4'-P-C4' energy: -103.284
flat angles P-C4'-P energy: -46.627
tors. eta vs tors. theta energy: -71.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -1207.278372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.278372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.278372 (E_RNA)
where:
Base-Base interactions energy: -727.412
where: short stacking energy: -338.467
Base-Backbone interact. energy: -0.475
local terms energy: -479.391326
where:
bonds (distance) C4'-P energy: -108.153
bonds (distance) P-C4' energy: -95.894
flat angles C4'-P-C4' energy: -112.444
flat angles P-C4'-P energy: -62.962
tors. eta vs tors. theta energy: -99.938
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: 8, replica: 2
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -863.179276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.179276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.179276 (E_RNA)
where:
Base-Base interactions energy: -502.776
where: short stacking energy: -250.737
Base-Backbone interact. energy: -2.129
local terms energy: -358.274185
where:
bonds (distance) C4'-P energy: -89.230
bonds (distance) P-C4' energy: -110.257
flat angles C4'-P-C4' energy: -86.720
flat angles P-C4'-P energy: -55.103
tors. eta vs tors. theta energy: -16.964
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: 6
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -528.287455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.287455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.287455 (E_RNA)
where:
Base-Base interactions energy: -218.732
where: short stacking energy: -140.709
Base-Backbone interact. energy: 0.226
local terms energy: -309.781119
where:
bonds (distance) C4'-P energy: -86.610
bonds (distance) P-C4' energy: -92.330
flat angles C4'-P-C4' energy: -96.883
flat angles P-C4'-P energy: -53.266
tors. eta vs tors. theta energy: 19.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -607.318621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.318621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.318621 (E_RNA)
where:
Base-Base interactions energy: -312.825
where: short stacking energy: -157.227
Base-Backbone interact. energy: 2.670
local terms energy: -297.163249
where:
bonds (distance) C4'-P energy: -90.925
bonds (distance) P-C4' energy: -70.453
flat angles C4'-P-C4' energy: -98.366
flat angles P-C4'-P energy: -45.437
tors. eta vs tors. theta energy: 8.017
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: 8
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -2109.262895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.262895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.262895 (E_RNA)
where:
Base-Base interactions energy: -1471.349
where: short stacking energy: -612.256
Base-Backbone interact. energy: 0.743
local terms energy: -638.657077
where:
bonds (distance) C4'-P energy: -103.441
bonds (distance) P-C4' energy: -120.368
flat angles C4'-P-C4' energy: -134.737
flat angles P-C4'-P energy: -92.590
tors. eta vs tors. theta energy: -187.522
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: 7
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -2024.671325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.671325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.671325 (E_RNA)
where:
Base-Base interactions energy: -1407.424
where: short stacking energy: -591.820
Base-Backbone interact. energy: -0.730
local terms energy: -616.517951
where:
bonds (distance) C4'-P energy: -106.231
bonds (distance) P-C4' energy: -117.882
flat angles C4'-P-C4' energy: -122.286
flat angles P-C4'-P energy: -96.272
tors. eta vs tors. theta energy: -173.847
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: 3, replica: 9
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -1888.228447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.228447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.228447 (E_RNA)
where:
Base-Base interactions energy: -1294.627
where: short stacking energy: -533.564
Base-Backbone interact. energy: -1.751
local terms energy: -591.851238
where:
bonds (distance) C4'-P energy: -109.956
bonds (distance) P-C4' energy: -110.116
flat angles C4'-P-C4' energy: -127.517
flat angles P-C4'-P energy: -89.669
tors. eta vs tors. theta energy: -154.593
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: 4
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1780.795045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.795045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.795045 (E_RNA)
where:
Base-Base interactions energy: -1225.376
where: short stacking energy: -503.817
Base-Backbone interact. energy: -0.422
local terms energy: -554.996451
where:
bonds (distance) C4'-P energy: -116.789
bonds (distance) P-C4' energy: -103.149
flat angles C4'-P-C4' energy: -124.650
flat angles P-C4'-P energy: -71.147
tors. eta vs tors. theta energy: -139.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -1573.675249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.675249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.675249 (E_RNA)
where:
Base-Base interactions energy: -1084.616
where: short stacking energy: -481.041
Base-Backbone interact. energy: -0.699
local terms energy: -488.360948
where:
bonds (distance) C4'-P energy: -84.975
bonds (distance) P-C4' energy: -101.043
flat angles C4'-P-C4' energy: -106.876
flat angles P-C4'-P energy: -75.677
tors. eta vs tors. theta energy: -119.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -1245.604193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.604193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.604193 (E_RNA)
where:
Base-Base interactions energy: -774.107
where: short stacking energy: -371.433
Base-Backbone interact. energy: -2.062
local terms energy: -469.434727
where:
bonds (distance) C4'-P energy: -86.480
bonds (distance) P-C4' energy: -129.428
flat angles C4'-P-C4' energy: -106.413
flat angles P-C4'-P energy: -55.499
tors. eta vs tors. theta energy: -91.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -1110.678775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.678775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.678775 (E_RNA)
where:
Base-Base interactions energy: -663.256
where: short stacking energy: -311.028
Base-Backbone interact. energy: -4.617
local terms energy: -442.805854
where:
bonds (distance) C4'-P energy: -81.299
bonds (distance) P-C4' energy: -123.427
flat angles C4'-P-C4' energy: -89.980
flat angles P-C4'-P energy: -73.628
tors. eta vs tors. theta energy: -74.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -843.495761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.495761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.495761 (E_RNA)
where:
Base-Base interactions energy: -457.158
where: short stacking energy: -246.354
Base-Backbone interact. energy: -1.372
local terms energy: -384.965633
where:
bonds (distance) C4'-P energy: -90.690
bonds (distance) P-C4' energy: -95.713
flat angles C4'-P-C4' energy: -79.092
flat angles P-C4'-P energy: -76.721
tors. eta vs tors. theta energy: -42.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -682.751577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.751577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.751577 (E_RNA)
where:
Base-Base interactions energy: -344.628
where: short stacking energy: -199.923
Base-Backbone interact. energy: 3.153
local terms energy: -341.277024
where:
bonds (distance) C4'-P energy: -93.909
bonds (distance) P-C4' energy: -104.706
flat angles C4'-P-C4' energy: -73.462
flat angles P-C4'-P energy: -62.826
tors. eta vs tors. theta energy: -6.373
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: 10, replica: 6
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -485.752459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.752459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.752459 (E_RNA)
where:
Base-Base interactions energy: -181.427
where: short stacking energy: -117.492
Base-Backbone interact. energy: 6.276
local terms energy: -310.601610
where:
bonds (distance) C4'-P energy: -114.680
bonds (distance) P-C4' energy: -106.958
flat angles C4'-P-C4' energy: -70.937
flat angles P-C4'-P energy: -56.542
tors. eta vs tors. theta energy: 38.516
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: 8
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -2102.001046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.001046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.001046 (E_RNA)
where:
Base-Base interactions energy: -1458.324
where: short stacking energy: -616.772
Base-Backbone interact. energy: 0.351
local terms energy: -644.027966
where:
bonds (distance) C4'-P energy: -113.813
bonds (distance) P-C4' energy: -115.630
flat angles C4'-P-C4' energy: -141.359
flat angles P-C4'-P energy: -91.982
tors. eta vs tors. theta energy: -181.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1999.061261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.061261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.061261 (E_RNA)
where:
Base-Base interactions energy: -1367.757
where: short stacking energy: -577.830
Base-Backbone interact. energy: -1.957
local terms energy: -629.347111
where:
bonds (distance) C4'-P energy: -126.214
bonds (distance) P-C4' energy: -106.291
flat angles C4'-P-C4' energy: -130.350
flat angles P-C4'-P energy: -90.180
tors. eta vs tors. theta energy: -176.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -1926.729446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.729446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.729446 (E_RNA)
where:
Base-Base interactions energy: -1321.603
where: short stacking energy: -526.192
Base-Backbone interact. energy: -2.026
local terms energy: -603.100021
where:
bonds (distance) C4'-P energy: -116.252
bonds (distance) P-C4' energy: -109.877
flat angles C4'-P-C4' energy: -126.639
flat angles P-C4'-P energy: -85.724
tors. eta vs tors. theta energy: -164.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1779.601551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.601551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.601551 (E_RNA)
where:
Base-Base interactions energy: -1207.297
where: short stacking energy: -495.322
Base-Backbone interact. energy: -2.284
local terms energy: -570.020278
where:
bonds (distance) C4'-P energy: -119.358
bonds (distance) P-C4' energy: -110.708
flat angles C4'-P-C4' energy: -109.330
flat angles P-C4'-P energy: -87.489
tors. eta vs tors. theta energy: -143.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -1586.219724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.219724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.219724 (E_RNA)
where:
Base-Base interactions energy: -1067.782
where: short stacking energy: -448.223
Base-Backbone interact. energy: 0.241
local terms energy: -518.678341
where:
bonds (distance) C4'-P energy: -105.519
bonds (distance) P-C4' energy: -103.120
flat angles C4'-P-C4' energy: -120.804
flat angles P-C4'-P energy: -78.490
tors. eta vs tors. theta energy: -110.745
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: 6, replica: 1
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1325.317816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.317816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.317816 (E_RNA)
where:
Base-Base interactions energy: -848.246
where: short stacking energy: -367.133
Base-Backbone interact. energy: -2.589
local terms energy: -474.482939
where:
bonds (distance) C4'-P energy: -95.952
bonds (distance) P-C4' energy: -117.190
flat angles C4'-P-C4' energy: -106.096
flat angles P-C4'-P energy: -74.356
tors. eta vs tors. theta energy: -80.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -1161.296079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.296079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.296079 (E_RNA)
where:
Base-Base interactions energy: -720.606
where: short stacking energy: -320.815
Base-Backbone interact. energy: -1.434
local terms energy: -439.256456
where:
bonds (distance) C4'-P energy: -99.303
bonds (distance) P-C4' energy: -110.141
flat angles C4'-P-C4' energy: -104.342
flat angles P-C4'-P energy: -59.791
tors. eta vs tors. theta energy: -65.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -840.545472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.545472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.545472 (E_RNA)
where:
Base-Base interactions energy: -444.299
where: short stacking energy: -225.262
Base-Backbone interact. energy: 1.952
local terms energy: -398.198592
where:
bonds (distance) C4'-P energy: -98.569
bonds (distance) P-C4' energy: -119.465
flat angles C4'-P-C4' energy: -76.278
flat angles P-C4'-P energy: -78.307
tors. eta vs tors. theta energy: -25.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -696.635256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.635256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.635256 (E_RNA)
where:
Base-Base interactions energy: -360.784
where: short stacking energy: -194.388
Base-Backbone interact. energy: -0.010
local terms energy: -335.841252
where:
bonds (distance) C4'-P energy: -77.088
bonds (distance) P-C4' energy: -112.320
flat angles C4'-P-C4' energy: -99.749
flat angles P-C4'-P energy: -50.584
tors. eta vs tors. theta energy: 3.900
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: 10, replica: 6
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -482.587086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.587086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.587086 (E_RNA)
where:
Base-Base interactions energy: -180.456
where: short stacking energy: -128.748
Base-Backbone interact. energy: 1.372
local terms energy: -303.503375
where:
bonds (distance) C4'-P energy: -86.900
bonds (distance) P-C4' energy: -102.158
flat angles C4'-P-C4' energy: -91.958
flat angles P-C4'-P energy: -47.102
tors. eta vs tors. theta energy: 24.614
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: 8
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -2126.475965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.475965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.475965 (E_RNA)
where:
Base-Base interactions energy: -1465.962
where: short stacking energy: -622.691
Base-Backbone interact. energy: -3.674
local terms energy: -656.839853
where:
bonds (distance) C4'-P energy: -113.299
bonds (distance) P-C4' energy: -117.751
flat angles C4'-P-C4' energy: -131.670
flat angles P-C4'-P energy: -105.918
tors. eta vs tors. theta energy: -188.202
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: 7
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -2024.075973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.075973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.075973 (E_RNA)
where:
Base-Base interactions energy: -1390.868
where: short stacking energy: -574.052
Base-Backbone interact. energy: -1.799
local terms energy: -631.409278
where:
bonds (distance) C4'-P energy: -121.762
bonds (distance) P-C4' energy: -117.514
flat angles C4'-P-C4' energy: -129.820
flat angles P-C4'-P energy: -85.064
tors. eta vs tors. theta energy: -177.248
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: 3, replica: 9
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1910.840119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.840119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.840119 (E_RNA)
where:
Base-Base interactions energy: -1306.579
where: short stacking energy: -535.122
Base-Backbone interact. energy: 0.676
local terms energy: -604.936779
where:
bonds (distance) C4'-P energy: -113.390
bonds (distance) P-C4' energy: -118.055
flat angles C4'-P-C4' energy: -130.600
flat angles P-C4'-P energy: -90.972
tors. eta vs tors. theta energy: -151.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1768.047373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.047373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.047373 (E_RNA)
where:
Base-Base interactions energy: -1202.749
where: short stacking energy: -500.086
Base-Backbone interact. energy: 2.547
local terms energy: -567.845899
where:
bonds (distance) C4'-P energy: -117.200
bonds (distance) P-C4' energy: -101.761
flat angles C4'-P-C4' energy: -127.263
flat angles P-C4'-P energy: -80.066
tors. eta vs tors. theta energy: -141.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -1582.865625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.865625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.865625 (E_RNA)
where:
Base-Base interactions energy: -1058.425
where: short stacking energy: -475.052
Base-Backbone interact. energy: 0.215
local terms energy: -524.656137
where:
bonds (distance) C4'-P energy: -85.676
bonds (distance) P-C4' energy: -110.324
flat angles C4'-P-C4' energy: -132.842
flat angles P-C4'-P energy: -66.975
tors. eta vs tors. theta energy: -128.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1297.541162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.541162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.541162 (E_RNA)
where:
Base-Base interactions energy: -834.708
where: short stacking energy: -373.100
Base-Backbone interact. energy: 2.861
local terms energy: -465.694077
where:
bonds (distance) C4'-P energy: -100.326
bonds (distance) P-C4' energy: -103.083
flat angles C4'-P-C4' energy: -101.874
flat angles P-C4'-P energy: -60.287
tors. eta vs tors. theta energy: -100.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1246.872663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.872663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.872663 (E_RNA)
where:
Base-Base interactions energy: -835.557
where: short stacking energy: -379.408
Base-Backbone interact. energy: 4.728
local terms energy: -416.044508
where:
bonds (distance) C4'-P energy: -105.547
bonds (distance) P-C4' energy: -75.081
flat angles C4'-P-C4' energy: -95.177
flat angles P-C4'-P energy: -58.699
tors. eta vs tors. theta energy: -81.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -860.118636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.118636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.118636 (E_RNA)
where:
Base-Base interactions energy: -461.110
where: short stacking energy: -265.147
Base-Backbone interact. energy: 0.546
local terms energy: -399.554050
where:
bonds (distance) C4'-P energy: -95.499
bonds (distance) P-C4' energy: -110.014
flat angles C4'-P-C4' energy: -94.283
flat angles P-C4'-P energy: -66.855
tors. eta vs tors. theta energy: -32.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -722.384654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.384654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.384654 (E_RNA)
where:
Base-Base interactions energy: -358.306
where: short stacking energy: -184.688
Base-Backbone interact. energy: -0.586
local terms energy: -363.492601
where:
bonds (distance) C4'-P energy: -103.452
bonds (distance) P-C4' energy: -103.271
flat angles C4'-P-C4' energy: -92.852
flat angles P-C4'-P energy: -48.709
tors. eta vs tors. theta energy: -15.209
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: 6
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -458.797741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.797741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.797741 (E_RNA)
where:
Base-Base interactions energy: -128.126
where: short stacking energy: -99.549
Base-Backbone interact. energy: -1.128
local terms energy: -329.544343
where:
bonds (distance) C4'-P energy: -103.335
bonds (distance) P-C4' energy: -101.478
flat angles C4'-P-C4' energy: -90.073
flat angles P-C4'-P energy: -64.822
tors. eta vs tors. theta energy: 30.163
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: 8
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -2117.920060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.920060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.920060 (E_RNA)
where:
Base-Base interactions energy: -1454.063
where: short stacking energy: -639.645
Base-Backbone interact. energy: -0.673
local terms energy: -663.183696
where:
bonds (distance) C4'-P energy: -118.552
bonds (distance) P-C4' energy: -113.747
flat angles C4'-P-C4' energy: -133.256
flat angles P-C4'-P energy: -107.562
tors. eta vs tors. theta energy: -190.067
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: 2, replica: 7
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1988.581718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.581718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.581718 (E_RNA)
where:
Base-Base interactions energy: -1355.841
where: short stacking energy: -585.002
Base-Backbone interact. energy: 0.091
local terms energy: -632.831005
where:
bonds (distance) C4'-P energy: -128.404
bonds (distance) P-C4' energy: -108.521
flat angles C4'-P-C4' energy: -132.146
flat angles P-C4'-P energy: -79.792
tors. eta vs tors. theta energy: -183.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1926.090651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.090651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.090651 (E_RNA)
where:
Base-Base interactions energy: -1336.350
where: short stacking energy: -552.668
Base-Backbone interact. energy: -3.970
local terms energy: -585.770762
where:
bonds (distance) C4'-P energy: -103.673
bonds (distance) P-C4' energy: -108.874
flat angles C4'-P-C4' energy: -127.391
flat angles P-C4'-P energy: -78.297
tors. eta vs tors. theta energy: -167.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1761.672907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.672907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.672907 (E_RNA)
where:
Base-Base interactions energy: -1203.975
where: short stacking energy: -499.683
Base-Backbone interact. energy: -3.216
local terms energy: -554.482084
where:
bonds (distance) C4'-P energy: -98.406
bonds (distance) P-C4' energy: -120.586
flat angles C4'-P-C4' energy: -118.584
flat angles P-C4'-P energy: -77.497
tors. eta vs tors. theta energy: -139.410
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: 10
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1580.087012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.087012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.087012 (E_RNA)
where:
Base-Base interactions energy: -1059.897
where: short stacking energy: -476.087
Base-Backbone interact. energy: -1.430
local terms energy: -518.759353
where:
bonds (distance) C4'-P energy: -102.001
bonds (distance) P-C4' energy: -103.848
flat angles C4'-P-C4' energy: -115.099
flat angles P-C4'-P energy: -66.314
tors. eta vs tors. theta energy: -131.498
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: 1
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -1311.069762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.069762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.069762 (E_RNA)
where:
Base-Base interactions energy: -815.629
where: short stacking energy: -368.031
Base-Backbone interact. energy: -1.706
local terms energy: -493.734158
where:
bonds (distance) C4'-P energy: -106.835
bonds (distance) P-C4' energy: -99.809
flat angles C4'-P-C4' energy: -108.817
flat angles P-C4'-P energy: -81.449
tors. eta vs tors. theta energy: -96.825
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: 3
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1135.256555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.256555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.256555 (E_RNA)
where:
Base-Base interactions energy: -695.037
where: short stacking energy: -316.933
Base-Backbone interact. energy: -2.127
local terms energy: -438.092443
where:
bonds (distance) C4'-P energy: -109.968
bonds (distance) P-C4' energy: -100.356
flat angles C4'-P-C4' energy: -93.953
flat angles P-C4'-P energy: -65.798
tors. eta vs tors. theta energy: -68.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -849.561371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.561371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.561371 (E_RNA)
where:
Base-Base interactions energy: -444.881
where: short stacking energy: -241.403
Base-Backbone interact. energy: -1.402
local terms energy: -403.278693
where:
bonds (distance) C4'-P energy: -90.480
bonds (distance) P-C4' energy: -104.772
flat angles C4'-P-C4' energy: -103.887
flat angles P-C4'-P energy: -52.268
tors. eta vs tors. theta energy: -51.872
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: 9, replica: 5
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -712.813202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.813202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.813202 (E_RNA)
where:
Base-Base interactions energy: -373.910
where: short stacking energy: -208.830
Base-Backbone interact. energy: 1.570
local terms energy: -340.473278
where:
bonds (distance) C4'-P energy: -107.393
bonds (distance) P-C4' energy: -99.725
flat angles C4'-P-C4' energy: -66.684
flat angles P-C4'-P energy: -46.248
tors. eta vs tors. theta energy: -20.423
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: 10, replica: 6
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -446.262751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.262751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.262751 (E_RNA)
where:
Base-Base interactions energy: -141.053
where: short stacking energy: -100.867
Base-Backbone interact. energy: 0.806
local terms energy: -306.015452
where:
bonds (distance) C4'-P energy: -114.443
bonds (distance) P-C4' energy: -114.369
flat angles C4'-P-C4' energy: -78.785
flat angles P-C4'-P energy: -28.432
tors. eta vs tors. theta energy: 30.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -2109.117904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.117904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.117904 (E_RNA)
where:
Base-Base interactions energy: -1464.578
where: short stacking energy: -632.821
Base-Backbone interact. energy: 3.921
local terms energy: -648.460881
where:
bonds (distance) C4'-P energy: -109.058
bonds (distance) P-C4' energy: -117.721
flat angles C4'-P-C4' energy: -139.067
flat angles P-C4'-P energy: -95.075
tors. eta vs tors. theta energy: -187.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -2007.807146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.807146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.807146 (E_RNA)
where:
Base-Base interactions energy: -1397.002
where: short stacking energy: -590.669
Base-Backbone interact. energy: -2.042
local terms energy: -608.763909
where:
bonds (distance) C4'-P energy: -100.367
bonds (distance) P-C4' energy: -115.809
flat angles C4'-P-C4' energy: -132.931
flat angles P-C4'-P energy: -86.934
tors. eta vs tors. theta energy: -172.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -1914.488102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.488102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.488102 (E_RNA)
where:
Base-Base interactions energy: -1333.695
where: short stacking energy: -536.792
Base-Backbone interact. energy: 0.630
local terms energy: -581.422646
where:
bonds (distance) C4'-P energy: -96.897
bonds (distance) P-C4' energy: -119.382
flat angles C4'-P-C4' energy: -123.680
flat angles P-C4'-P energy: -78.419
tors. eta vs tors. theta energy: -163.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -1764.811030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.811030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.811030 (E_RNA)
where:
Base-Base interactions energy: -1185.508
where: short stacking energy: -494.716
Base-Backbone interact. energy: -1.410
local terms energy: -577.892477
where:
bonds (distance) C4'-P energy: -95.604
bonds (distance) P-C4' energy: -125.718
flat angles C4'-P-C4' energy: -126.433
flat angles P-C4'-P energy: -82.661
tors. eta vs tors. theta energy: -147.477
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: 10
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1545.890022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.890022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.890022 (E_RNA)
where:
Base-Base interactions energy: -999.379
where: short stacking energy: -431.818
Base-Backbone interact. energy: 0.084
local terms energy: -546.595384
where:
bonds (distance) C4'-P energy: -106.934
bonds (distance) P-C4' energy: -122.729
flat angles C4'-P-C4' energy: -121.152
flat angles P-C4'-P energy: -81.014
tors. eta vs tors. theta energy: -114.767
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: 1
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -1376.874878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.874878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.874878 (E_RNA)
where:
Base-Base interactions energy: -875.226
where: short stacking energy: -397.332
Base-Backbone interact. energy: -2.384
local terms energy: -499.265062
where:
bonds (distance) C4'-P energy: -88.239
bonds (distance) P-C4' energy: -104.963
flat angles C4'-P-C4' energy: -109.459
flat angles P-C4'-P energy: -81.223
tors. eta vs tors. theta energy: -115.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1073.957928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.957928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.957928 (E_RNA)
where:
Base-Base interactions energy: -631.950
where: short stacking energy: -284.266
Base-Backbone interact. energy: 0.105
local terms energy: -442.112441
where:
bonds (distance) C4'-P energy: -108.274
bonds (distance) P-C4' energy: -109.638
flat angles C4'-P-C4' energy: -94.235
flat angles P-C4'-P energy: -75.166
tors. eta vs tors. theta energy: -54.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -809.196724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.196724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.196724 (E_RNA)
where:
Base-Base interactions energy: -426.193
where: short stacking energy: -249.325
Base-Backbone interact. energy: -1.754
local terms energy: -381.249792
where:
bonds (distance) C4'-P energy: -86.392
bonds (distance) P-C4' energy: -97.677
flat angles C4'-P-C4' energy: -108.963
flat angles P-C4'-P energy: -63.985
tors. eta vs tors. theta energy: -24.233
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: 9, replica: 5
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -693.169832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.169832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.169832 (E_RNA)
where:
Base-Base interactions energy: -347.303
where: short stacking energy: -192.398
Base-Backbone interact. energy: -1.620
local terms energy: -344.246356
where:
bonds (distance) C4'-P energy: -92.499
bonds (distance) P-C4' energy: -111.900
flat angles C4'-P-C4' energy: -88.727
flat angles P-C4'-P energy: -48.786
tors. eta vs tors. theta energy: -2.335
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: 10, replica: 6
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -469.084979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.084979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.084979 (E_RNA)
where:
Base-Base interactions energy: -167.572
where: short stacking energy: -135.965
Base-Backbone interact. energy: -2.353
local terms energy: -299.160017
where:
bonds (distance) C4'-P energy: -86.190
bonds (distance) P-C4' energy: -84.685
flat angles C4'-P-C4' energy: -80.751
flat angles P-C4'-P energy: -59.198
tors. eta vs tors. theta energy: 11.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -2111.065702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.065702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.065702 (E_RNA)
where:
Base-Base interactions energy: -1456.975
where: short stacking energy: -606.507
Base-Backbone interact. energy: -0.401
local terms energy: -653.690049
where:
bonds (distance) C4'-P energy: -120.867
bonds (distance) P-C4' energy: -106.040
flat angles C4'-P-C4' energy: -138.047
flat angles P-C4'-P energy: -98.325
tors. eta vs tors. theta energy: -190.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -2017.657873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.657873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.657873 (E_RNA)
where:
Base-Base interactions energy: -1389.890
where: short stacking energy: -579.600
Base-Backbone interact. energy: -1.855
local terms energy: -625.913116
where:
bonds (distance) C4'-P energy: -124.215
bonds (distance) P-C4' energy: -121.317
flat angles C4'-P-C4' energy: -123.342
flat angles P-C4'-P energy: -84.092
tors. eta vs tors. theta energy: -172.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1916.451113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.451113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.451113 (E_RNA)
where:
Base-Base interactions energy: -1294.825
where: short stacking energy: -513.636
Base-Backbone interact. energy: -2.106
local terms energy: -619.520236
where:
bonds (distance) C4'-P energy: -122.670
bonds (distance) P-C4' energy: -125.894
flat angles C4'-P-C4' energy: -126.294
flat angles P-C4'-P energy: -90.707
tors. eta vs tors. theta energy: -153.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -1771.469295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.469295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.469295 (E_RNA)
where:
Base-Base interactions energy: -1205.312
where: short stacking energy: -507.111
Base-Backbone interact. energy: -5.482
local terms energy: -560.675534
where:
bonds (distance) C4'-P energy: -100.725
bonds (distance) P-C4' energy: -107.211
flat angles C4'-P-C4' energy: -123.736
flat angles P-C4'-P energy: -80.458
tors. eta vs tors. theta energy: -148.546
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: 10
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1550.384227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.384227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.384227 (E_RNA)
where:
Base-Base interactions energy: -1032.220
where: short stacking energy: -472.259
Base-Backbone interact. energy: -0.186
local terms energy: -517.978189
where:
bonds (distance) C4'-P energy: -105.510
bonds (distance) P-C4' energy: -101.121
flat angles C4'-P-C4' energy: -114.147
flat angles P-C4'-P energy: -77.824
tors. eta vs tors. theta energy: -119.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -1394.734037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.734037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.734037 (E_RNA)
where:
Base-Base interactions energy: -921.186
where: short stacking energy: -388.927
Base-Backbone interact. energy: 1.436
local terms energy: -474.984073
where:
bonds (distance) C4'-P energy: -110.681
bonds (distance) P-C4' energy: -98.510
flat angles C4'-P-C4' energy: -108.821
flat angles P-C4'-P energy: -65.319
tors. eta vs tors. theta energy: -91.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -1082.151763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.151763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.151763 (E_RNA)
where:
Base-Base interactions energy: -671.195
where: short stacking energy: -324.369
Base-Backbone interact. energy: -2.323
local terms energy: -408.633238
where:
bonds (distance) C4'-P energy: -80.220
bonds (distance) P-C4' energy: -90.358
flat angles C4'-P-C4' energy: -93.223
flat angles P-C4'-P energy: -69.637
tors. eta vs tors. theta energy: -75.195
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: 2
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -795.163655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.163655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.163655 (E_RNA)
where:
Base-Base interactions energy: -449.539
where: short stacking energy: -236.433
Base-Backbone interact. energy: -2.093
local terms energy: -343.531355
where:
bonds (distance) C4'-P energy: -61.158
bonds (distance) P-C4' energy: -96.728
flat angles C4'-P-C4' energy: -86.547
flat angles P-C4'-P energy: -68.899
tors. eta vs tors. theta energy: -30.199
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: 5
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -714.448119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.448119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.448119 (E_RNA)
where:
Base-Base interactions energy: -373.607
where: short stacking energy: -207.206
Base-Backbone interact. energy: 4.886
local terms energy: -345.727396
where:
bonds (distance) C4'-P energy: -86.273
bonds (distance) P-C4' energy: -110.569
flat angles C4'-P-C4' energy: -95.042
flat angles P-C4'-P energy: -38.802
tors. eta vs tors. theta energy: -15.042
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: 6
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -501.823397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.823397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.823397 (E_RNA)
where:
Base-Base interactions energy: -195.945
where: short stacking energy: -150.937
Base-Backbone interact. energy: -1.396
local terms energy: -304.483168
where:
bonds (distance) C4'-P energy: -80.476
bonds (distance) P-C4' energy: -104.063
flat angles C4'-P-C4' energy: -79.537
flat angles P-C4'-P energy: -58.498
tors. eta vs tors. theta energy: 18.091
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: 8
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -2116.841270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.841270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.841270 (E_RNA)
where:
Base-Base interactions energy: -1458.132
where: short stacking energy: -610.452
Base-Backbone interact. energy: -0.498
local terms energy: -658.212051
where:
bonds (distance) C4'-P energy: -102.935
bonds (distance) P-C4' energy: -133.107
flat angles C4'-P-C4' energy: -135.723
flat angles P-C4'-P energy: -98.978
tors. eta vs tors. theta energy: -187.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1991.813992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.813992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.813992 (E_RNA)
where:
Base-Base interactions energy: -1377.299
where: short stacking energy: -583.885
Base-Backbone interact. energy: 1.639
local terms energy: -616.153415
where:
bonds (distance) C4'-P energy: -107.725
bonds (distance) P-C4' energy: -117.942
flat angles C4'-P-C4' energy: -127.282
flat angles P-C4'-P energy: -91.035
tors. eta vs tors. theta energy: -172.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1922.521220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.521220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.521220 (E_RNA)
where:
Base-Base interactions energy: -1329.961
where: short stacking energy: -519.012
Base-Backbone interact. energy: 3.685
local terms energy: -596.245029
where:
bonds (distance) C4'-P energy: -116.818
bonds (distance) P-C4' energy: -112.331
flat angles C4'-P-C4' energy: -117.023
flat angles P-C4'-P energy: -94.172
tors. eta vs tors. theta energy: -155.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -1801.507710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.507710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.507710 (E_RNA)
where:
Base-Base interactions energy: -1217.624
where: short stacking energy: -528.893
Base-Backbone interact. energy: 1.925
local terms energy: -585.808622
where:
bonds (distance) C4'-P energy: -108.972
bonds (distance) P-C4' energy: -110.524
flat angles C4'-P-C4' energy: -133.942
flat angles P-C4'-P energy: -81.812
tors. eta vs tors. theta energy: -150.558
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: 5, replica: 10
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1558.854739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.854739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.854739 (E_RNA)
where:
Base-Base interactions energy: -1038.396
where: short stacking energy: -474.057
Base-Backbone interact. energy: 1.773
local terms energy: -522.231749
where:
bonds (distance) C4'-P energy: -101.745
bonds (distance) P-C4' energy: -106.485
flat angles C4'-P-C4' energy: -111.047
flat angles P-C4'-P energy: -82.416
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -1402.692974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.692974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.692974 (E_RNA)
where:
Base-Base interactions energy: -894.831
where: short stacking energy: -397.750
Base-Backbone interact. energy: -3.417
local terms energy: -504.445189
where:
bonds (distance) C4'-P energy: -105.309
bonds (distance) P-C4' energy: -97.156
flat angles C4'-P-C4' energy: -123.844
flat angles P-C4'-P energy: -65.999
tors. eta vs tors. theta energy: -112.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1095.768678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.768678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.768678 (E_RNA)
where:
Base-Base interactions energy: -676.617
where: short stacking energy: -326.791
Base-Backbone interact. energy: 3.223
local terms energy: -422.374467
where:
bonds (distance) C4'-P energy: -92.239
bonds (distance) P-C4' energy: -103.226
flat angles C4'-P-C4' energy: -99.898
flat angles P-C4'-P energy: -66.844
tors. eta vs tors. theta energy: -60.167
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: 2
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -806.314095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.314095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.314095 (E_RNA)
where:
Base-Base interactions energy: -435.612
where: short stacking energy: -248.050
Base-Backbone interact. energy: 8.854
local terms energy: -379.555605
where:
bonds (distance) C4'-P energy: -99.369
bonds (distance) P-C4' energy: -105.814
flat angles C4'-P-C4' energy: -84.376
flat angles P-C4'-P energy: -60.745
tors. eta vs tors. theta energy: -29.251
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: 5
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -735.688701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.688701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.688701 (E_RNA)
where:
Base-Base interactions energy: -387.198
where: short stacking energy: -208.965
Base-Backbone interact. energy: 0.462
local terms energy: -348.952983
where:
bonds (distance) C4'-P energy: -98.059
bonds (distance) P-C4' energy: -94.090
flat angles C4'-P-C4' energy: -84.604
flat angles P-C4'-P energy: -66.908
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: 10, replica: 6
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -511.076552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.076552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.076552 (E_RNA)
where:
Base-Base interactions energy: -193.596
where: short stacking energy: -140.950
Base-Backbone interact. energy: 1.322
local terms energy: -318.802036
where:
bonds (distance) C4'-P energy: -89.777
bonds (distance) P-C4' energy: -107.033
flat angles C4'-P-C4' energy: -80.536
flat angles P-C4'-P energy: -51.910
tors. eta vs tors. theta energy: 10.454
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: 8
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -2117.884713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.884713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.884713 (E_RNA)
where:
Base-Base interactions energy: -1485.911
where: short stacking energy: -621.395
Base-Backbone interact. energy: -2.073
local terms energy: -629.900099
where:
bonds (distance) C4'-P energy: -103.653
bonds (distance) P-C4' energy: -112.433
flat angles C4'-P-C4' energy: -145.637
flat angles P-C4'-P energy: -82.504
tors. eta vs tors. theta energy: -185.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -2000.601996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.601996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.601996 (E_RNA)
where:
Base-Base interactions energy: -1377.694
where: short stacking energy: -584.163
Base-Backbone interact. energy: -1.665
local terms energy: -621.242429
where:
bonds (distance) C4'-P energy: -118.154
bonds (distance) P-C4' energy: -107.905
flat angles C4'-P-C4' energy: -128.222
flat angles P-C4'-P energy: -88.519
tors. eta vs tors. theta energy: -178.442
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: 3, replica: 9
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -1955.617049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.617049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.617049 (E_RNA)
where:
Base-Base interactions energy: -1383.476
where: short stacking energy: -535.895
Base-Backbone interact. energy: 2.009
local terms energy: -574.150015
where:
bonds (distance) C4'-P energy: -109.872
bonds (distance) P-C4' energy: -109.083
flat angles C4'-P-C4' energy: -118.846
flat angles P-C4'-P energy: -88.601
tors. eta vs tors. theta energy: -147.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -1789.328293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.328293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.328293 (E_RNA)
where:
Base-Base interactions energy: -1250.053
where: short stacking energy: -524.552
Base-Backbone interact. energy: 2.507
local terms energy: -541.782387
where:
bonds (distance) C4'-P energy: -102.355
bonds (distance) P-C4' energy: -96.130
flat angles C4'-P-C4' energy: -117.648
flat angles P-C4'-P energy: -80.747
tors. eta vs tors. theta energy: -144.903
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: 10
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1588.384738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.384738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.384738 (E_RNA)
where:
Base-Base interactions energy: -1027.276
where: short stacking energy: -461.027
Base-Backbone interact. energy: -0.236
local terms energy: -560.872484
where:
bonds (distance) C4'-P energy: -110.874
bonds (distance) P-C4' energy: -121.273
flat angles C4'-P-C4' energy: -125.481
flat angles P-C4'-P energy: -81.327
tors. eta vs tors. theta energy: -121.917
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: 1
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -1365.543482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.543482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.543482 (E_RNA)
where:
Base-Base interactions energy: -913.950
where: short stacking energy: -414.639
Base-Backbone interact. energy: -3.903
local terms energy: -447.689796
where:
bonds (distance) C4'-P energy: -87.122
bonds (distance) P-C4' energy: -110.228
flat angles C4'-P-C4' energy: -92.776
flat angles P-C4'-P energy: -63.106
tors. eta vs tors. theta energy: -94.458
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: 3
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -1080.708647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.708647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.708647 (E_RNA)
where:
Base-Base interactions energy: -672.277
where: short stacking energy: -321.269
Base-Backbone interact. energy: 1.960
local terms energy: -410.391131
where:
bonds (distance) C4'-P energy: -92.711
bonds (distance) P-C4' energy: -110.039
flat angles C4'-P-C4' energy: -94.683
flat angles P-C4'-P energy: -58.621
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: 8, replica: 2
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -803.098995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.098995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.098995 (E_RNA)
where:
Base-Base interactions energy: -416.712
where: short stacking energy: -233.257
Base-Backbone interact. energy: 0.587
local terms energy: -386.974357
where:
bonds (distance) C4'-P energy: -112.572
bonds (distance) P-C4' energy: -98.388
flat angles C4'-P-C4' energy: -101.930
flat angles P-C4'-P energy: -39.118
tors. eta vs tors. theta energy: -34.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -739.429286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.429286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.429286 (E_RNA)
where:
Base-Base interactions energy: -398.871
where: short stacking energy: -213.405
Base-Backbone interact. energy: -0.397
local terms energy: -340.160798
where:
bonds (distance) C4'-P energy: -86.804
bonds (distance) P-C4' energy: -88.280
flat angles C4'-P-C4' energy: -86.132
flat angles P-C4'-P energy: -54.225
tors. eta vs tors. theta energy: -24.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -506.810232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.810232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.810232 (E_RNA)
where:
Base-Base interactions energy: -187.169
where: short stacking energy: -136.755
Base-Backbone interact. energy: 2.933
local terms energy: -322.574550
where:
bonds (distance) C4'-P energy: -116.412
bonds (distance) P-C4' energy: -104.754
flat angles C4'-P-C4' energy: -54.068
flat angles P-C4'-P energy: -49.575
tors. eta vs tors. theta energy: 2.234
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: 8
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -2113.096910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.096910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.096910 (E_RNA)
where:
Base-Base interactions energy: -1462.535
where: short stacking energy: -608.987
Base-Backbone interact. energy: 0.789
local terms energy: -651.351130
where:
bonds (distance) C4'-P energy: -123.161
bonds (distance) P-C4' energy: -112.033
flat angles C4'-P-C4' energy: -135.421
flat angles P-C4'-P energy: -99.038
tors. eta vs tors. theta energy: -181.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -2007.234195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.234195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.234195 (E_RNA)
where:
Base-Base interactions energy: -1384.591
where: short stacking energy: -578.183
Base-Backbone interact. energy: -0.553
local terms energy: -622.090099
where:
bonds (distance) C4'-P energy: -112.888
bonds (distance) P-C4' energy: -112.633
flat angles C4'-P-C4' energy: -138.692
flat angles P-C4'-P energy: -88.399
tors. eta vs tors. theta energy: -169.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1922.859385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.859385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.859385 (E_RNA)
where:
Base-Base interactions energy: -1321.873
where: short stacking energy: -533.065
Base-Backbone interact. energy: -2.718
local terms energy: -598.268279
where:
bonds (distance) C4'-P energy: -116.710
bonds (distance) P-C4' energy: -117.081
flat angles C4'-P-C4' energy: -123.844
flat angles P-C4'-P energy: -90.700
tors. eta vs tors. theta energy: -149.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -1759.576007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.576007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.576007 (E_RNA)
where:
Base-Base interactions energy: -1201.095
where: short stacking energy: -510.110
Base-Backbone interact. energy: -4.036
local terms energy: -554.445216
where:
bonds (distance) C4'-P energy: -107.501
bonds (distance) P-C4' energy: -110.970
flat angles C4'-P-C4' energy: -115.515
flat angles P-C4'-P energy: -72.792
tors. eta vs tors. theta energy: -147.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1671.866394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.866394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.866394 (E_RNA)
where:
Base-Base interactions energy: -1117.258
where: short stacking energy: -488.908
Base-Backbone interact. energy: -1.194
local terms energy: -553.414338
where:
bonds (distance) C4'-P energy: -105.338
bonds (distance) P-C4' energy: -113.574
flat angles C4'-P-C4' energy: -119.385
flat angles P-C4'-P energy: -75.672
tors. eta vs tors. theta energy: -139.446
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: 1
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -1376.285061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.285061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.285061 (E_RNA)
where:
Base-Base interactions energy: -889.213
where: short stacking energy: -405.178
Base-Backbone interact. energy: 3.984
local terms energy: -491.055937
where:
bonds (distance) C4'-P energy: -96.350
bonds (distance) P-C4' energy: -112.168
flat angles C4'-P-C4' energy: -104.182
flat angles P-C4'-P energy: -80.988
tors. eta vs tors. theta energy: -97.368
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: 7, replica: 3
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1093.301339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.301339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.301339 (E_RNA)
where:
Base-Base interactions energy: -665.027
where: short stacking energy: -290.737
Base-Backbone interact. energy: 2.833
local terms energy: -431.108187
where:
bonds (distance) C4'-P energy: -113.283
bonds (distance) P-C4' energy: -97.034
flat angles C4'-P-C4' energy: -98.521
flat angles P-C4'-P energy: -64.565
tors. eta vs tors. theta energy: -57.704
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: 2
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -803.373014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.373014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.373014 (E_RNA)
where:
Base-Base interactions energy: -423.678
where: short stacking energy: -255.490
Base-Backbone interact. energy: -2.600
local terms energy: -377.095025
where:
bonds (distance) C4'-P energy: -83.937
bonds (distance) P-C4' energy: -101.650
flat angles C4'-P-C4' energy: -93.905
flat angles P-C4'-P energy: -61.422
tors. eta vs tors. theta energy: -36.182
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: 9, replica: 5
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -808.261765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.261765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.261765 (E_RNA)
where:
Base-Base interactions energy: -457.572
where: short stacking energy: -255.076
Base-Backbone interact. energy: 3.545
local terms energy: -354.234677
where:
bonds (distance) C4'-P energy: -86.080
bonds (distance) P-C4' energy: -97.823
flat angles C4'-P-C4' energy: -102.272
flat angles P-C4'-P energy: -38.736
tors. eta vs tors. theta energy: -29.323
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: 264
Temperature: 1.350000
Total energy: -480.932634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.932634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.932634 (E_RNA)
where:
Base-Base interactions energy: -198.664
where: short stacking energy: -124.468
Base-Backbone interact. energy: -1.776
local terms energy: -280.492391
where:
bonds (distance) C4'-P energy: -101.797
bonds (distance) P-C4' energy: -98.961
flat angles C4'-P-C4' energy: -76.772
flat angles P-C4'-P energy: -38.935
tors. eta vs tors. theta energy: 35.971
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: 1, replica: 8
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -2144.811652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.811652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.811652 (E_RNA)
where:
Base-Base interactions energy: -1484.976
where: short stacking energy: -622.206
Base-Backbone interact. energy: -5.501
local terms energy: -654.334692
where:
bonds (distance) C4'-P energy: -123.531
bonds (distance) P-C4' energy: -105.143
flat angles C4'-P-C4' energy: -142.389
flat angles P-C4'-P energy: -87.937
tors. eta vs tors. theta energy: -195.335
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: 2, replica: 7
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1979.403204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.403204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.403204 (E_RNA)
where:
Base-Base interactions energy: -1366.082
where: short stacking energy: -578.638
Base-Backbone interact. energy: -0.775
local terms energy: -612.545492
where:
bonds (distance) C4'-P energy: -105.835
bonds (distance) P-C4' energy: -111.544
flat angles C4'-P-C4' energy: -132.404
flat angles P-C4'-P energy: -90.495
tors. eta vs tors. theta energy: -172.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1953.058438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.058438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.058438 (E_RNA)
where:
Base-Base interactions energy: -1354.216
where: short stacking energy: -561.950
Base-Backbone interact. energy: -1.967
local terms energy: -596.875558
where:
bonds (distance) C4'-P energy: -107.805
bonds (distance) P-C4' energy: -120.047
flat angles C4'-P-C4' energy: -130.518
flat angles P-C4'-P energy: -74.193
tors. eta vs tors. theta energy: -164.311
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: 4, replica: 4
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1818.386387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.386387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.386387 (E_RNA)
where:
Base-Base interactions energy: -1234.153
where: short stacking energy: -487.155
Base-Backbone interact. energy: -1.194
local terms energy: -583.038987
where:
bonds (distance) C4'-P energy: -112.765
bonds (distance) P-C4' energy: -107.073
flat angles C4'-P-C4' energy: -132.267
flat angles P-C4'-P energy: -80.366
tors. eta vs tors. theta energy: -150.568
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: 10
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1678.764379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.764379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.764379 (E_RNA)
where:
Base-Base interactions energy: -1107.198
where: short stacking energy: -504.732
Base-Backbone interact. energy: -1.480
local terms energy: -570.086186
where:
bonds (distance) C4'-P energy: -101.153
bonds (distance) P-C4' energy: -118.591
flat angles C4'-P-C4' energy: -107.976
flat angles P-C4'-P energy: -93.015
tors. eta vs tors. theta energy: -149.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -1364.244619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.244619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.244619 (E_RNA)
where:
Base-Base interactions energy: -861.514
where: short stacking energy: -367.761
Base-Backbone interact. energy: 1.634
local terms energy: -504.364074
where:
bonds (distance) C4'-P energy: -109.218
bonds (distance) P-C4' energy: -110.460
flat angles C4'-P-C4' energy: -111.662
flat angles P-C4'-P energy: -78.479
tors. eta vs tors. theta energy: -94.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1196.651542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.651542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.651542 (E_RNA)
where:
Base-Base interactions energy: -728.360
where: short stacking energy: -336.486
Base-Backbone interact. energy: -2.132
local terms energy: -466.159623
where:
bonds (distance) C4'-P energy: -106.741
bonds (distance) P-C4' energy: -113.338
flat angles C4'-P-C4' energy: -117.553
flat angles P-C4'-P energy: -51.325
tors. eta vs tors. theta energy: -77.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -785.843320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.843320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.843320 (E_RNA)
where:
Base-Base interactions energy: -397.071
where: short stacking energy: -229.535
Base-Backbone interact. energy: 2.558
local terms energy: -391.330197
where:
bonds (distance) C4'-P energy: -94.679
bonds (distance) P-C4' energy: -119.279
flat angles C4'-P-C4' energy: -80.061
flat angles P-C4'-P energy: -68.363
tors. eta vs tors. theta energy: -28.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -743.360329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.360329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.360329 (E_RNA)
where:
Base-Base interactions energy: -422.990
where: short stacking energy: -219.300
Base-Backbone interact. energy: 3.733
local terms energy: -324.102908
where:
bonds (distance) C4'-P energy: -81.458
bonds (distance) P-C4' energy: -102.362
flat angles C4'-P-C4' energy: -89.007
flat angles P-C4'-P energy: -35.820
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: 6
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -455.844971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.844971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.844971 (E_RNA)
where:
Base-Base interactions energy: -155.173
where: short stacking energy: -136.467
Base-Backbone interact. energy: 1.963
local terms energy: -302.634394
where:
bonds (distance) C4'-P energy: -95.461
bonds (distance) P-C4' energy: -89.276
flat angles C4'-P-C4' energy: -78.901
flat angles P-C4'-P energy: -43.231
tors. eta vs tors. theta energy: 4.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -2133.531567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.531567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.531567 (E_RNA)
where:
Base-Base interactions energy: -1452.038
where: short stacking energy: -607.881
Base-Backbone interact. energy: 0.692
local terms energy: -682.184745
where:
bonds (distance) C4'-P energy: -128.906
bonds (distance) P-C4' energy: -125.495
flat angles C4'-P-C4' energy: -142.654
flat angles P-C4'-P energy: -97.130
tors. eta vs tors. theta energy: -188.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1998.858384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.858384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.858384 (E_RNA)
where:
Base-Base interactions energy: -1373.446
where: short stacking energy: -582.046
Base-Backbone interact. energy: -2.247
local terms energy: -623.165442
where:
bonds (distance) C4'-P energy: -101.276
bonds (distance) P-C4' energy: -123.237
flat angles C4'-P-C4' energy: -128.463
flat angles P-C4'-P energy: -94.031
tors. eta vs tors. theta energy: -176.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1952.108443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.108443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.108443 (E_RNA)
where:
Base-Base interactions energy: -1352.560
where: short stacking energy: -531.963
Base-Backbone interact. energy: -5.004
local terms energy: -594.544988
where:
bonds (distance) C4'-P energy: -109.526
bonds (distance) P-C4' energy: -112.209
flat angles C4'-P-C4' energy: -129.424
flat angles P-C4'-P energy: -85.454
tors. eta vs tors. theta energy: -157.932
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: 266
Temperature: 1.050000
Total energy: -1805.388095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.388095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.388095 (E_RNA)
where:
Base-Base interactions energy: -1246.465
where: short stacking energy: -533.411
Base-Backbone interact. energy: 3.713
local terms energy: -562.636461
where:
bonds (distance) C4'-P energy: -89.964
bonds (distance) P-C4' energy: -108.717
flat angles C4'-P-C4' energy: -120.490
flat angles P-C4'-P energy: -90.734
tors. eta vs tors. theta energy: -152.732
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: 10
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -1621.400442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.400442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.400442 (E_RNA)
where:
Base-Base interactions energy: -1089.709
where: short stacking energy: -503.561
Base-Backbone interact. energy: -0.788
local terms energy: -530.903890
where:
bonds (distance) C4'-P energy: -95.649
bonds (distance) P-C4' energy: -106.313
flat angles C4'-P-C4' energy: -110.320
flat angles P-C4'-P energy: -76.787
tors. eta vs tors. theta energy: -141.835
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: 6, replica: 1
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -1371.030579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.030579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.030579 (E_RNA)
where:
Base-Base interactions energy: -891.788
where: short stacking energy: -388.630
Base-Backbone interact. energy: -1.496
local terms energy: -477.745989
where:
bonds (distance) C4'-P energy: -106.235
bonds (distance) P-C4' energy: -103.530
flat angles C4'-P-C4' energy: -108.632
flat angles P-C4'-P energy: -63.556
tors. eta vs tors. theta energy: -95.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1165.099803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.099803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.099803 (E_RNA)
where:
Base-Base interactions energy: -742.035
where: short stacking energy: -352.599
Base-Backbone interact. energy: -1.429
local terms energy: -421.636065
where:
bonds (distance) C4'-P energy: -79.123
bonds (distance) P-C4' energy: -102.437
flat angles C4'-P-C4' energy: -101.936
flat angles P-C4'-P energy: -67.448
tors. eta vs tors. theta energy: -70.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -812.243104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.243104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.243104 (E_RNA)
where:
Base-Base interactions energy: -450.073
where: short stacking energy: -258.774
Base-Backbone interact. energy: 8.484
local terms energy: -370.654163
where:
bonds (distance) C4'-P energy: -109.208
bonds (distance) P-C4' energy: -92.347
flat angles C4'-P-C4' energy: -92.571
flat angles P-C4'-P energy: -47.032
tors. eta vs tors. theta energy: -29.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -781.889340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.889340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.889340 (E_RNA)
where:
Base-Base interactions energy: -409.751
where: short stacking energy: -223.467
Base-Backbone interact. energy: -2.053
local terms energy: -370.085023
where:
bonds (distance) C4'-P energy: -78.643
bonds (distance) P-C4' energy: -114.384
flat angles C4'-P-C4' energy: -92.191
flat angles P-C4'-P energy: -68.301
tors. eta vs tors. theta energy: -16.566
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: 6
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -447.602040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.602040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.602040 (E_RNA)
where:
Base-Base interactions energy: -173.429
where: short stacking energy: -140.456
Base-Backbone interact. energy: -0.332
local terms energy: -273.840579
where:
bonds (distance) C4'-P energy: -78.277
bonds (distance) P-C4' energy: -107.540
flat angles C4'-P-C4' energy: -61.902
flat angles P-C4'-P energy: -47.261
tors. eta vs tors. theta energy: 21.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -2113.948526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.948526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.948526 (E_RNA)
where:
Base-Base interactions energy: -1453.617
where: short stacking energy: -603.242
Base-Backbone interact. energy: -2.824
local terms energy: -657.507836
where:
bonds (distance) C4'-P energy: -134.723
bonds (distance) P-C4' energy: -115.059
flat angles C4'-P-C4' energy: -129.212
flat angles P-C4'-P energy: -96.789
tors. eta vs tors. theta energy: -181.725
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: 2, replica: 7
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1968.221203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.221203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.221203 (E_RNA)
where:
Base-Base interactions energy: -1351.033
where: short stacking energy: -577.590
Base-Backbone interact. energy: -3.561
local terms energy: -613.626799
where:
bonds (distance) C4'-P energy: -109.801
bonds (distance) P-C4' energy: -107.697
flat angles C4'-P-C4' energy: -136.607
flat angles P-C4'-P energy: -90.134
tors. eta vs tors. theta energy: -169.388
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: 9
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1956.060941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.060941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.060941 (E_RNA)
where:
Base-Base interactions energy: -1375.149
where: short stacking energy: -539.470
Base-Backbone interact. energy: 1.585
local terms energy: -582.497322
where:
bonds (distance) C4'-P energy: -114.157
bonds (distance) P-C4' energy: -107.280
flat angles C4'-P-C4' energy: -130.536
flat angles P-C4'-P energy: -69.237
tors. eta vs tors. theta energy: -161.286
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: 4, replica: 4
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1780.040273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.040273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.040273 (E_RNA)
where:
Base-Base interactions energy: -1214.468
where: short stacking energy: -493.514
Base-Backbone interact. energy: -1.553
local terms energy: -564.019375
where:
bonds (distance) C4'-P energy: -107.679
bonds (distance) P-C4' energy: -123.146
flat angles C4'-P-C4' energy: -110.960
flat angles P-C4'-P energy: -75.956
tors. eta vs tors. theta energy: -146.278
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: 5, replica: 10
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1665.566036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.566036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.566036 (E_RNA)
where:
Base-Base interactions energy: -1105.499
where: short stacking energy: -485.222
Base-Backbone interact. energy: -1.844
local terms energy: -558.222597
where:
bonds (distance) C4'-P energy: -98.277
bonds (distance) P-C4' energy: -117.932
flat angles C4'-P-C4' energy: -123.924
flat angles P-C4'-P energy: -84.292
tors. eta vs tors. theta energy: -133.798
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: 1
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -1358.910277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.910277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.910277 (E_RNA)
where:
Base-Base interactions energy: -904.694
where: short stacking energy: -403.506
Base-Backbone interact. energy: -1.136
local terms energy: -453.080889
where:
bonds (distance) C4'-P energy: -96.915
bonds (distance) P-C4' energy: -87.287
flat angles C4'-P-C4' energy: -102.906
flat angles P-C4'-P energy: -61.009
tors. eta vs tors. theta energy: -104.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1158.649446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.649446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.649446 (E_RNA)
where:
Base-Base interactions energy: -705.361
where: short stacking energy: -316.344
Base-Backbone interact. energy: -2.957
local terms energy: -450.331391
where:
bonds (distance) C4'-P energy: -98.810
bonds (distance) P-C4' energy: -96.420
flat angles C4'-P-C4' energy: -113.609
flat angles P-C4'-P energy: -82.090
tors. eta vs tors. theta energy: -59.402
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: 2
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -825.771916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.771916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.771916 (E_RNA)
where:
Base-Base interactions energy: -433.308
where: short stacking energy: -230.319
Base-Backbone interact. energy: -2.216
local terms energy: -390.247558
where:
bonds (distance) C4'-P energy: -97.391
bonds (distance) P-C4' energy: -103.579
flat angles C4'-P-C4' energy: -90.228
flat angles P-C4'-P energy: -54.652
tors. eta vs tors. theta energy: -44.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -768.186592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.186592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.186592 (E_RNA)
where:
Base-Base interactions energy: -394.859
where: short stacking energy: -223.343
Base-Backbone interact. energy: -1.890
local terms energy: -371.437102
where:
bonds (distance) C4'-P energy: -104.469
bonds (distance) P-C4' energy: -101.031
flat angles C4'-P-C4' energy: -77.763
flat angles P-C4'-P energy: -56.468
tors. eta vs tors. theta energy: -31.706
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: 6
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -457.409918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.409918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.409918 (E_RNA)
where:
Base-Base interactions energy: -174.247
where: short stacking energy: -123.131
Base-Backbone interact. energy: -0.815
local terms energy: -282.348080
where:
bonds (distance) C4'-P energy: -92.368
bonds (distance) P-C4' energy: -114.389
flat angles C4'-P-C4' energy: -49.843
flat angles P-C4'-P energy: -49.267
tors. eta vs tors. theta energy: 23.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -2113.407740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.407740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.407740 (E_RNA)
where:
Base-Base interactions energy: -1470.790
where: short stacking energy: -615.332
Base-Backbone interact. energy: -2.828
local terms energy: -639.789845
where:
bonds (distance) C4'-P energy: -112.812
bonds (distance) P-C4' energy: -102.371
flat angles C4'-P-C4' energy: -141.586
flat angles P-C4'-P energy: -91.309
tors. eta vs tors. theta energy: -191.713
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: 7
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1999.152289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.152289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.152289 (E_RNA)
where:
Base-Base interactions energy: -1392.797
where: short stacking energy: -572.282
Base-Backbone interact. energy: -1.145
local terms energy: -605.210053
where:
bonds (distance) C4'-P energy: -106.510
bonds (distance) P-C4' energy: -117.395
flat angles C4'-P-C4' energy: -126.437
flat angles P-C4'-P energy: -91.025
tors. eta vs tors. theta energy: -163.844
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: 9
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1936.484816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.484816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.484816 (E_RNA)
where:
Base-Base interactions energy: -1343.088
where: short stacking energy: -550.625
Base-Backbone interact. energy: -1.125
local terms energy: -592.271476
where:
bonds (distance) C4'-P energy: -110.561
bonds (distance) P-C4' energy: -114.820
flat angles C4'-P-C4' energy: -129.865
flat angles P-C4'-P energy: -76.473
tors. eta vs tors. theta energy: -160.553
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: 4
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -1778.985782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.985782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.985782 (E_RNA)
where:
Base-Base interactions energy: -1199.757
where: short stacking energy: -523.840
Base-Backbone interact. energy: 0.850
local terms energy: -580.079100
where:
bonds (distance) C4'-P energy: -106.925
bonds (distance) P-C4' energy: -119.893
flat angles C4'-P-C4' energy: -115.239
flat angles P-C4'-P energy: -76.249
tors. eta vs tors. theta energy: -161.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1597.201654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.201654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.201654 (E_RNA)
where:
Base-Base interactions energy: -1057.862
where: short stacking energy: -475.029
Base-Backbone interact. energy: 0.222
local terms energy: -539.561255
where:
bonds (distance) C4'-P energy: -98.527
bonds (distance) P-C4' energy: -114.569
flat angles C4'-P-C4' energy: -118.842
flat angles P-C4'-P energy: -78.262
tors. eta vs tors. theta energy: -129.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -1345.611301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.611301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.611301 (E_RNA)
where:
Base-Base interactions energy: -895.073
where: short stacking energy: -375.264
Base-Backbone interact. energy: -3.201
local terms energy: -447.337804
where:
bonds (distance) C4'-P energy: -81.782
bonds (distance) P-C4' energy: -93.306
flat angles C4'-P-C4' energy: -106.037
flat angles P-C4'-P energy: -72.146
tors. eta vs tors. theta energy: -94.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1096.912743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.912743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.912743 (E_RNA)
where:
Base-Base interactions energy: -691.179
where: short stacking energy: -301.718
Base-Backbone interact. energy: -0.723
local terms energy: -405.010583
where:
bonds (distance) C4'-P energy: -89.400
bonds (distance) P-C4' energy: -104.021
flat angles C4'-P-C4' energy: -97.357
flat angles P-C4'-P energy: -39.873
tors. eta vs tors. theta energy: -74.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -801.584140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.584140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.584140 (E_RNA)
where:
Base-Base interactions energy: -423.985
where: short stacking energy: -224.633
Base-Backbone interact. energy: 1.106
local terms energy: -378.705165
where:
bonds (distance) C4'-P energy: -81.734
bonds (distance) P-C4' energy: -89.679
flat angles C4'-P-C4' energy: -108.511
flat angles P-C4'-P energy: -56.767
tors. eta vs tors. theta energy: -42.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -750.867703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.867703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.867703 (E_RNA)
where:
Base-Base interactions energy: -388.918
where: short stacking energy: -205.792
Base-Backbone interact. energy: 0.536
local terms energy: -362.485102
where:
bonds (distance) C4'-P energy: -96.756
bonds (distance) P-C4' energy: -85.034
flat angles C4'-P-C4' energy: -102.116
flat angles P-C4'-P energy: -67.540
tors. eta vs tors. theta energy: -11.038
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: 10, replica: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -449.631240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.631240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.631240 (E_RNA)
where:
Base-Base interactions energy: -162.245
where: short stacking energy: -109.603
Base-Backbone interact. energy: -1.884
local terms energy: -285.502159
where:
bonds (distance) C4'-P energy: -90.166
bonds (distance) P-C4' energy: -84.870
flat angles C4'-P-C4' energy: -84.389
flat angles P-C4'-P energy: -43.559
tors. eta vs tors. theta energy: 17.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -2120.932129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.932129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.932129 (E_RNA)
where:
Base-Base interactions energy: -1467.214
where: short stacking energy: -614.138
Base-Backbone interact. energy: 1.068
local terms energy: -654.785576
where:
bonds (distance) C4'-P energy: -119.487
bonds (distance) P-C4' energy: -116.654
flat angles C4'-P-C4' energy: -141.339
flat angles P-C4'-P energy: -92.553
tors. eta vs tors. theta energy: -184.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -2001.795691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.795691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.795691 (E_RNA)
where:
Base-Base interactions energy: -1374.654
where: short stacking energy: -592.345
Base-Backbone interact. energy: -2.510
local terms energy: -624.631020
where:
bonds (distance) C4'-P energy: -109.383
bonds (distance) P-C4' energy: -122.088
flat angles C4'-P-C4' energy: -132.669
flat angles P-C4'-P energy: -90.458
tors. eta vs tors. theta energy: -170.032
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: 3, replica: 9
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1909.041997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.041997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.041997 (E_RNA)
where:
Base-Base interactions energy: -1330.822
where: short stacking energy: -525.868
Base-Backbone interact. energy: -2.630
local terms energy: -575.589945
where:
bonds (distance) C4'-P energy: -115.409
bonds (distance) P-C4' energy: -90.149
flat angles C4'-P-C4' energy: -116.738
flat angles P-C4'-P energy: -97.417
tors. eta vs tors. theta energy: -155.876
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: 4
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -1784.615336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.615336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.615336 (E_RNA)
where:
Base-Base interactions energy: -1223.184
where: short stacking energy: -513.806
Base-Backbone interact. energy: -5.702
local terms energy: -555.729292
where:
bonds (distance) C4'-P energy: -98.848
bonds (distance) P-C4' energy: -115.214
flat angles C4'-P-C4' energy: -112.699
flat angles P-C4'-P energy: -81.965
tors. eta vs tors. theta energy: -147.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1625.784479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.784479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.784479 (E_RNA)
where:
Base-Base interactions energy: -1075.023
where: short stacking energy: -488.684
Base-Backbone interact. energy: 4.664
local terms energy: -555.425623
where:
bonds (distance) C4'-P energy: -108.296
bonds (distance) P-C4' energy: -112.275
flat angles C4'-P-C4' energy: -122.769
flat angles P-C4'-P energy: -77.891
tors. eta vs tors. theta energy: -134.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1409.783081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.783081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.783081 (E_RNA)
where:
Base-Base interactions energy: -905.500
where: short stacking energy: -399.647
Base-Backbone interact. energy: 1.191
local terms energy: -505.474637
where:
bonds (distance) C4'-P energy: -88.593
bonds (distance) P-C4' energy: -116.767
flat angles C4'-P-C4' energy: -118.187
flat angles P-C4'-P energy: -81.941
tors. eta vs tors. theta energy: -99.987
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: 7, replica: 3
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1177.529252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.529252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.529252 (E_RNA)
where:
Base-Base interactions energy: -739.683
where: short stacking energy: -340.793
Base-Backbone interact. energy: -0.308
local terms energy: -437.538188
where:
bonds (distance) C4'-P energy: -90.740
bonds (distance) P-C4' energy: -94.822
flat angles C4'-P-C4' energy: -109.626
flat angles P-C4'-P energy: -64.804
tors. eta vs tors. theta energy: -77.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -817.944579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.944579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.944579 (E_RNA)
where:
Base-Base interactions energy: -437.099
where: short stacking energy: -238.088
Base-Backbone interact. energy: -2.457
local terms energy: -378.388136
where:
bonds (distance) C4'-P energy: -98.807
bonds (distance) P-C4' energy: -111.956
flat angles C4'-P-C4' energy: -79.431
flat angles P-C4'-P energy: -58.300
tors. eta vs tors. theta energy: -29.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -765.292444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.292444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.292444 (E_RNA)
where:
Base-Base interactions energy: -436.604
where: short stacking energy: -221.082
Base-Backbone interact. energy: -1.991
local terms energy: -326.697545
where:
bonds (distance) C4'-P energy: -78.983
bonds (distance) P-C4' energy: -85.281
flat angles C4'-P-C4' energy: -93.870
flat angles P-C4'-P energy: -46.572
tors. eta vs tors. theta energy: -21.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -452.447730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.447730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.447730 (E_RNA)
where:
Base-Base interactions energy: -154.587
where: short stacking energy: -115.509
Base-Backbone interact. energy: -3.054
local terms energy: -294.805864
where:
bonds (distance) C4'-P energy: -108.032
bonds (distance) P-C4' energy: -85.961
flat angles C4'-P-C4' energy: -83.886
flat angles P-C4'-P energy: -39.662
tors. eta vs tors. theta energy: 22.734
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: 8
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -2112.964187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.964187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.964187 (E_RNA)
where:
Base-Base interactions energy: -1443.226
where: short stacking energy: -624.009
Base-Backbone interact. energy: -1.932
local terms energy: -667.806010
where:
bonds (distance) C4'-P energy: -118.096
bonds (distance) P-C4' energy: -119.558
flat angles C4'-P-C4' energy: -132.945
flat angles P-C4'-P energy: -105.046
tors. eta vs tors. theta energy: -192.161
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: 7
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -2000.111451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.111451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.111451 (E_RNA)
where:
Base-Base interactions energy: -1374.005
where: short stacking energy: -579.510
Base-Backbone interact. energy: -3.108
local terms energy: -622.997840
where:
bonds (distance) C4'-P energy: -115.636
bonds (distance) P-C4' energy: -119.273
flat angles C4'-P-C4' energy: -132.612
flat angles P-C4'-P energy: -77.129
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: 9
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1966.968321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.968321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.968321 (E_RNA)
where:
Base-Base interactions energy: -1368.082
where: short stacking energy: -556.868
Base-Backbone interact. energy: 1.078
local terms energy: -599.963550
where:
bonds (distance) C4'-P energy: -113.158
bonds (distance) P-C4' energy: -104.678
flat angles C4'-P-C4' energy: -131.378
flat angles P-C4'-P energy: -86.052
tors. eta vs tors. theta energy: -164.697
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: 4
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -1775.308619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.308619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.308619 (E_RNA)
where:
Base-Base interactions energy: -1201.124
where: short stacking energy: -524.621
Base-Backbone interact. energy: 0.178
local terms energy: -574.362988
where:
bonds (distance) C4'-P energy: -105.006
bonds (distance) P-C4' energy: -107.095
flat angles C4'-P-C4' energy: -131.742
flat angles P-C4'-P energy: -70.606
tors. eta vs tors. theta energy: -159.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -1590.590812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.590812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.590812 (E_RNA)
where:
Base-Base interactions energy: -1087.415
where: short stacking energy: -485.680
Base-Backbone interact. energy: -2.309
local terms energy: -500.866980
where:
bonds (distance) C4'-P energy: -98.379
bonds (distance) P-C4' energy: -91.858
flat angles C4'-P-C4' energy: -105.644
flat angles P-C4'-P energy: -60.940
tors. eta vs tors. theta energy: -144.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1413.203138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.203138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.203138 (E_RNA)
where:
Base-Base interactions energy: -911.017
where: short stacking energy: -401.741
Base-Backbone interact. energy: -0.679
local terms energy: -501.506695
where:
bonds (distance) C4'-P energy: -100.518
bonds (distance) P-C4' energy: -119.188
flat angles C4'-P-C4' energy: -106.246
flat angles P-C4'-P energy: -74.063
tors. eta vs tors. theta energy: -101.491
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: 3
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -1170.658831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.658831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.658831 (E_RNA)
where:
Base-Base interactions energy: -740.961
where: short stacking energy: -322.790
Base-Backbone interact. energy: -3.036
local terms energy: -426.661166
where:
bonds (distance) C4'-P energy: -116.217
bonds (distance) P-C4' energy: -85.205
flat angles C4'-P-C4' energy: -99.676
flat angles P-C4'-P energy: -54.451
tors. eta vs tors. theta energy: -71.112
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: 2
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -842.619807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.619807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.619807 (E_RNA)
where:
Base-Base interactions energy: -447.942
where: short stacking energy: -235.559
Base-Backbone interact. energy: -3.141
local terms energy: -391.535909
where:
bonds (distance) C4'-P energy: -107.047
bonds (distance) P-C4' energy: -102.081
flat angles C4'-P-C4' energy: -90.654
flat angles P-C4'-P energy: -59.562
tors. eta vs tors. theta energy: -32.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -758.955781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.955781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.955781 (E_RNA)
where:
Base-Base interactions energy: -420.827
where: short stacking energy: -219.696
Base-Backbone interact. energy: 0.247
local terms energy: -338.375750
where:
bonds (distance) C4'-P energy: -94.635
bonds (distance) P-C4' energy: -81.922
flat angles C4'-P-C4' energy: -75.113
flat angles P-C4'-P energy: -63.063
tors. eta vs tors. theta energy: -23.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -462.209127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.209127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.209127 (E_RNA)
where:
Base-Base interactions energy: -161.234
where: short stacking energy: -121.202
Base-Backbone interact. energy: 0.088
local terms energy: -301.062947
where:
bonds (distance) C4'-P energy: -91.089
bonds (distance) P-C4' energy: -101.196
flat angles C4'-P-C4' energy: -78.513
flat angles P-C4'-P energy: -44.691
tors. eta vs tors. theta energy: 14.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -2110.242095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.242095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.242095 (E_RNA)
where:
Base-Base interactions energy: -1443.040
where: short stacking energy: -611.257
Base-Backbone interact. energy: -3.482
local terms energy: -663.720098
where:
bonds (distance) C4'-P energy: -117.763
bonds (distance) P-C4' energy: -109.741
flat angles C4'-P-C4' energy: -148.281
flat angles P-C4'-P energy: -95.559
tors. eta vs tors. theta energy: -192.377
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: 7
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -2005.675764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.675764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.675764 (E_RNA)
where:
Base-Base interactions energy: -1379.804
where: short stacking energy: -577.271
Base-Backbone interact. energy: -0.797
local terms energy: -625.075288
where:
bonds (distance) C4'-P energy: -119.403
bonds (distance) P-C4' energy: -101.177
flat angles C4'-P-C4' energy: -130.585
flat angles P-C4'-P energy: -103.809
tors. eta vs tors. theta energy: -170.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1946.317955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.317955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.317955 (E_RNA)
where:
Base-Base interactions energy: -1321.812
where: short stacking energy: -537.045
Base-Backbone interact. energy: -1.906
local terms energy: -622.599581
where:
bonds (distance) C4'-P energy: -118.522
bonds (distance) P-C4' energy: -119.556
flat angles C4'-P-C4' energy: -127.739
flat angles P-C4'-P energy: -95.049
tors. eta vs tors. theta energy: -161.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -1761.201324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.201324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.201324 (E_RNA)
where:
Base-Base interactions energy: -1195.167
where: short stacking energy: -511.897
Base-Backbone interact. energy: 5.804
local terms energy: -571.838547
where:
bonds (distance) C4'-P energy: -104.927
bonds (distance) P-C4' energy: -115.392
flat angles C4'-P-C4' energy: -124.890
flat angles P-C4'-P energy: -78.046
tors. eta vs tors. theta energy: -148.583
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: 10
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -1637.582126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.582126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.582126 (E_RNA)
where:
Base-Base interactions energy: -1107.412
where: short stacking energy: -482.796
Base-Backbone interact. energy: -0.109
local terms energy: -530.061584
where:
bonds (distance) C4'-P energy: -104.106
bonds (distance) P-C4' energy: -105.036
flat angles C4'-P-C4' energy: -119.296
flat angles P-C4'-P energy: -67.910
tors. eta vs tors. theta energy: -133.714
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: 6, replica: 1
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -1393.379095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.379095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.379095 (E_RNA)
where:
Base-Base interactions energy: -904.190
where: short stacking energy: -391.746
Base-Backbone interact. energy: 0.029
local terms energy: -489.217679
where:
bonds (distance) C4'-P energy: -107.383
bonds (distance) P-C4' energy: -99.791
flat angles C4'-P-C4' energy: -108.964
flat angles P-C4'-P energy: -65.968
tors. eta vs tors. theta energy: -107.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -1202.535498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.535498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.535498 (E_RNA)
where:
Base-Base interactions energy: -731.536
where: short stacking energy: -325.742
Base-Backbone interact. energy: -0.902
local terms energy: -470.097678
where:
bonds (distance) C4'-P energy: -108.637
bonds (distance) P-C4' energy: -112.878
flat angles C4'-P-C4' energy: -105.097
flat angles P-C4'-P energy: -55.794
tors. eta vs tors. theta energy: -87.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -853.971642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.971642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.971642 (E_RNA)
where:
Base-Base interactions energy: -490.780
where: short stacking energy: -256.735
Base-Backbone interact. energy: 0.602
local terms energy: -363.794392
where:
bonds (distance) C4'-P energy: -93.127
bonds (distance) P-C4' energy: -79.580
flat angles C4'-P-C4' energy: -108.605
flat angles P-C4'-P energy: -60.486
tors. eta vs tors. theta energy: -21.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -745.098785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.098785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.098785 (E_RNA)
where:
Base-Base interactions energy: -386.643
where: short stacking energy: -197.861
Base-Backbone interact. energy: -0.982
local terms energy: -357.473858
where:
bonds (distance) C4'-P energy: -78.706
bonds (distance) P-C4' energy: -114.051
flat angles C4'-P-C4' energy: -81.883
flat angles P-C4'-P energy: -56.866
tors. eta vs tors. theta energy: -25.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -512.860896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.860896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.860896 (E_RNA)
where:
Base-Base interactions energy: -240.287
where: short stacking energy: -152.268
Base-Backbone interact. energy: -2.636
local terms energy: -269.938040
where:
bonds (distance) C4'-P energy: -67.454
bonds (distance) P-C4' energy: -92.601
flat angles C4'-P-C4' energy: -81.339
flat angles P-C4'-P energy: -37.759
tors. eta vs tors. theta energy: 9.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -2104.966403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.966403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.966403 (E_RNA)
where:
Base-Base interactions energy: -1450.269
where: short stacking energy: -631.854
Base-Backbone interact. energy: -1.518
local terms energy: -653.179558
where:
bonds (distance) C4'-P energy: -126.018
bonds (distance) P-C4' energy: -104.679
flat angles C4'-P-C4' energy: -136.552
flat angles P-C4'-P energy: -95.613
tors. eta vs tors. theta energy: -190.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1995.994011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.994011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.994011 (E_RNA)
where:
Base-Base interactions energy: -1379.887
where: short stacking energy: -574.503
Base-Backbone interact. energy: 2.119
local terms energy: -618.226099
where:
bonds (distance) C4'-P energy: -105.558
bonds (distance) P-C4' energy: -120.596
flat angles C4'-P-C4' energy: -122.384
flat angles P-C4'-P energy: -91.656
tors. eta vs tors. theta energy: -178.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -1910.299758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.299758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.299758 (E_RNA)
where:
Base-Base interactions energy: -1325.066
where: short stacking energy: -540.048
Base-Backbone interact. energy: 0.351
local terms energy: -585.585254
where:
bonds (distance) C4'-P energy: -107.628
bonds (distance) P-C4' energy: -108.759
flat angles C4'-P-C4' energy: -123.279
flat angles P-C4'-P energy: -71.983
tors. eta vs tors. theta energy: -173.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -1771.630471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.630471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.630471 (E_RNA)
where:
Base-Base interactions energy: -1211.789
where: short stacking energy: -514.885
Base-Backbone interact. energy: -0.857
local terms energy: -558.984114
where:
bonds (distance) C4'-P energy: -98.256
bonds (distance) P-C4' energy: -116.113
flat angles C4'-P-C4' energy: -114.247
flat angles P-C4'-P energy: -77.754
tors. eta vs tors. theta energy: -152.614
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: 10
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1622.475251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.475251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.475251 (E_RNA)
where:
Base-Base interactions energy: -1109.969
where: short stacking energy: -475.381
Base-Backbone interact. energy: 3.715
local terms energy: -516.220616
where:
bonds (distance) C4'-P energy: -98.070
bonds (distance) P-C4' energy: -104.807
flat angles C4'-P-C4' energy: -101.844
flat angles P-C4'-P energy: -81.085
tors. eta vs tors. theta energy: -130.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -1390.891841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.891841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.891841 (E_RNA)
where:
Base-Base interactions energy: -900.033
where: short stacking energy: -383.215
Base-Backbone interact. energy: -2.845
local terms energy: -488.014210
where:
bonds (distance) C4'-P energy: -104.578
bonds (distance) P-C4' energy: -107.919
flat angles C4'-P-C4' energy: -116.134
flat angles P-C4'-P energy: -64.236
tors. eta vs tors. theta energy: -95.147
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: 3
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1251.262281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.262281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.262281 (E_RNA)
where:
Base-Base interactions energy: -804.261
where: short stacking energy: -356.947
Base-Backbone interact. energy: -0.145
local terms energy: -446.855663
where:
bonds (distance) C4'-P energy: -107.970
bonds (distance) P-C4' energy: -89.930
flat angles C4'-P-C4' energy: -96.317
flat angles P-C4'-P energy: -67.072
tors. eta vs tors. theta energy: -85.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -798.310381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.310381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.310381 (E_RNA)
where:
Base-Base interactions energy: -417.121
where: short stacking energy: -247.654
Base-Backbone interact. energy: -0.140
local terms energy: -381.049065
where:
bonds (distance) C4'-P energy: -97.788
bonds (distance) P-C4' energy: -88.772
flat angles C4'-P-C4' energy: -103.289
flat angles P-C4'-P energy: -57.708
tors. eta vs tors. theta energy: -33.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -813.361417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.361417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.361417 (E_RNA)
where:
Base-Base interactions energy: -440.485
where: short stacking energy: -230.170
Base-Backbone interact. energy: -1.583
local terms energy: -371.293581
where:
bonds (distance) C4'-P energy: -99.874
bonds (distance) P-C4' energy: -103.539
flat angles C4'-P-C4' energy: -88.277
flat angles P-C4'-P energy: -59.511
tors. eta vs tors. theta energy: -20.092
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: 6
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -450.945752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.945752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.945752 (E_RNA)
where:
Base-Base interactions energy: -155.805
where: short stacking energy: -120.119
Base-Backbone interact. energy: -3.949
local terms energy: -291.191204
where:
bonds (distance) C4'-P energy: -99.939
bonds (distance) P-C4' energy: -84.170
flat angles C4'-P-C4' energy: -85.707
flat angles P-C4'-P energy: -44.891
tors. eta vs tors. theta energy: 23.516
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: 8
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -2112.923696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.923696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.923696 (E_RNA)
where:
Base-Base interactions energy: -1450.368
where: short stacking energy: -622.843
Base-Backbone interact. energy: -2.550
local terms energy: -660.005710
where:
bonds (distance) C4'-P energy: -121.426
bonds (distance) P-C4' energy: -123.576
flat angles C4'-P-C4' energy: -125.844
flat angles P-C4'-P energy: -95.840
tors. eta vs tors. theta energy: -193.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1968.809329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.809329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.809329 (E_RNA)
where:
Base-Base interactions energy: -1376.260
where: short stacking energy: -547.380
Base-Backbone interact. energy: 0.899
local terms energy: -593.448774
where:
bonds (distance) C4'-P energy: -103.729
bonds (distance) P-C4' energy: -116.947
flat angles C4'-P-C4' energy: -118.010
flat angles P-C4'-P energy: -85.116
tors. eta vs tors. theta energy: -169.648
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: 3, replica: 7
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1918.912696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.912696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.912696 (E_RNA)
where:
Base-Base interactions energy: -1321.764
where: short stacking energy: -546.991
Base-Backbone interact. energy: -2.584
local terms energy: -594.563868
where:
bonds (distance) C4'-P energy: -105.355
bonds (distance) P-C4' energy: -112.212
flat angles C4'-P-C4' energy: -117.515
flat angles P-C4'-P energy: -87.893
tors. eta vs tors. theta energy: -171.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -1748.710414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.710414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.710414 (E_RNA)
where:
Base-Base interactions energy: -1211.407
where: short stacking energy: -488.679
Base-Backbone interact. energy: 9.393
local terms energy: -546.696918
where:
bonds (distance) C4'-P energy: -105.431
bonds (distance) P-C4' energy: -107.123
flat angles C4'-P-C4' energy: -120.480
flat angles P-C4'-P energy: -70.410
tors. eta vs tors. theta energy: -143.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -1573.935051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.935051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.935051 (E_RNA)
where:
Base-Base interactions energy: -1081.316
where: short stacking energy: -485.689
Base-Backbone interact. energy: -3.075
local terms energy: -489.544509
where:
bonds (distance) C4'-P energy: -91.155
bonds (distance) P-C4' energy: -92.311
flat angles C4'-P-C4' energy: -111.180
flat angles P-C4'-P energy: -82.382
tors. eta vs tors. theta energy: -112.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -1394.973841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.973841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.973841 (E_RNA)
where:
Base-Base interactions energy: -931.680
where: short stacking energy: -384.817
Base-Backbone interact. energy: -0.805
local terms energy: -462.488788
where:
bonds (distance) C4'-P energy: -100.637
bonds (distance) P-C4' energy: -105.783
flat angles C4'-P-C4' energy: -110.522
flat angles P-C4'-P energy: -67.922
tors. eta vs tors. theta energy: -77.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -1275.829303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.829303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.829303 (E_RNA)
where:
Base-Base interactions energy: -835.172
where: short stacking energy: -376.545
Base-Backbone interact. energy: -0.140
local terms energy: -440.516925
where:
bonds (distance) C4'-P energy: -94.315
bonds (distance) P-C4' energy: -103.182
flat angles C4'-P-C4' energy: -102.602
flat angles P-C4'-P energy: -53.027
tors. eta vs tors. theta energy: -87.392
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: 8, replica: 5
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -874.335565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.335565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.335565 (E_RNA)
where:
Base-Base interactions energy: -504.055
where: short stacking energy: -274.208
Base-Backbone interact. energy: 3.627
local terms energy: -373.907575
where:
bonds (distance) C4'-P energy: -104.095
bonds (distance) P-C4' energy: -96.800
flat angles C4'-P-C4' energy: -87.744
flat angles P-C4'-P energy: -43.827
tors. eta vs tors. theta energy: -41.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -757.806462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.806462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.806462 (E_RNA)
where:
Base-Base interactions energy: -417.033
where: short stacking energy: -213.731
Base-Backbone interact. energy: -2.950
local terms energy: -337.824259
where:
bonds (distance) C4'-P energy: -95.565
bonds (distance) P-C4' energy: -96.023
flat angles C4'-P-C4' energy: -81.348
flat angles P-C4'-P energy: -60.788
tors. eta vs tors. theta energy: -4.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -460.836779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.836779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.836779 (E_RNA)
where:
Base-Base interactions energy: -151.114
where: short stacking energy: -140.970
Base-Backbone interact. energy: -0.933
local terms energy: -308.789454
where:
bonds (distance) C4'-P energy: -83.260
bonds (distance) P-C4' energy: -104.717
flat angles C4'-P-C4' energy: -82.010
flat angles P-C4'-P energy: -57.312
tors. eta vs tors. theta energy: 18.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -2082.539650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.539650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.539650 (E_RNA)
where:
Base-Base interactions energy: -1429.056
where: short stacking energy: -632.561
Base-Backbone interact. energy: -2.646
local terms energy: -650.837214
where:
bonds (distance) C4'-P energy: -117.497
bonds (distance) P-C4' energy: -124.038
flat angles C4'-P-C4' energy: -127.483
flat angles P-C4'-P energy: -89.401
tors. eta vs tors. theta energy: -192.418
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: 9
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1972.947865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.947865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.947865 (E_RNA)
where:
Base-Base interactions energy: -1344.314
where: short stacking energy: -532.193
Base-Backbone interact. energy: -3.421
local terms energy: -625.212871
where:
bonds (distance) C4'-P energy: -114.685
bonds (distance) P-C4' energy: -118.526
flat angles C4'-P-C4' energy: -127.678
flat angles P-C4'-P energy: -98.565
tors. eta vs tors. theta energy: -165.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -1944.372372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.372372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.372372 (E_RNA)
where:
Base-Base interactions energy: -1346.940
where: short stacking energy: -561.579
Base-Backbone interact. energy: -2.026
local terms energy: -595.406039
where:
bonds (distance) C4'-P energy: -105.206
bonds (distance) P-C4' energy: -116.750
flat angles C4'-P-C4' energy: -113.926
flat angles P-C4'-P energy: -90.988
tors. eta vs tors. theta energy: -168.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1768.317304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.317304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.317304 (E_RNA)
where:
Base-Base interactions energy: -1199.599
where: short stacking energy: -488.462
Base-Backbone interact. energy: 3.697
local terms energy: -572.415356
where:
bonds (distance) C4'-P energy: -123.582
bonds (distance) P-C4' energy: -105.228
flat angles C4'-P-C4' energy: -126.548
flat angles P-C4'-P energy: -81.006
tors. eta vs tors. theta energy: -136.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -1614.822509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.822509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.822509 (E_RNA)
where:
Base-Base interactions energy: -1078.115
where: short stacking energy: -501.086
Base-Backbone interact. energy: 0.146
local terms energy: -536.852761
where:
bonds (distance) C4'-P energy: -104.107
bonds (distance) P-C4' energy: -89.712
flat angles C4'-P-C4' energy: -129.634
flat angles P-C4'-P energy: -71.674
tors. eta vs tors. theta energy: -141.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1277.178402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.178402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.178402 (E_RNA)
where:
Base-Base interactions energy: -814.457
where: short stacking energy: -381.117
Base-Backbone interact. energy: -2.650
local terms energy: -460.071629
where:
bonds (distance) C4'-P energy: -99.655
bonds (distance) P-C4' energy: -95.614
flat angles C4'-P-C4' energy: -111.195
flat angles P-C4'-P energy: -52.232
tors. eta vs tors. theta energy: -101.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1220.804026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.804026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.804026 (E_RNA)
where:
Base-Base interactions energy: -782.873
where: short stacking energy: -354.490
Base-Backbone interact. energy: 1.946
local terms energy: -439.877065
where:
bonds (distance) C4'-P energy: -77.450
bonds (distance) P-C4' energy: -100.609
flat angles C4'-P-C4' energy: -111.422
flat angles P-C4'-P energy: -66.990
tors. eta vs tors. theta energy: -83.406
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: 274
Temperature: 1.250000
Total energy: -942.401986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.401986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.401986 (E_RNA)
where:
Base-Base interactions energy: -521.282
where: short stacking energy: -268.792
Base-Backbone interact. energy: 0.556
local terms energy: -421.675938
where:
bonds (distance) C4'-P energy: -85.593
bonds (distance) P-C4' energy: -114.403
flat angles C4'-P-C4' energy: -105.260
flat angles P-C4'-P energy: -58.438
tors. eta vs tors. theta energy: -57.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -800.497123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.497123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.497123 (E_RNA)
where:
Base-Base interactions energy: -417.222
where: short stacking energy: -235.206
Base-Backbone interact. energy: -2.050
local terms energy: -381.225192
where:
bonds (distance) C4'-P energy: -91.736
bonds (distance) P-C4' energy: -116.877
flat angles C4'-P-C4' energy: -84.354
flat angles P-C4'-P energy: -53.753
tors. eta vs tors. theta energy: -34.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -470.191705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.191705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.191705 (E_RNA)
where:
Base-Base interactions energy: -166.524
where: short stacking energy: -130.393
Base-Backbone interact. energy: 2.674
local terms energy: -306.342319
where:
bonds (distance) C4'-P energy: -94.631
bonds (distance) P-C4' energy: -103.583
flat angles C4'-P-C4' energy: -82.147
flat angles P-C4'-P energy: -41.338
tors. eta vs tors. theta energy: 15.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -2143.074971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.074971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.074971 (E_RNA)
where:
Base-Base interactions energy: -1477.889
where: short stacking energy: -648.780
Base-Backbone interact. energy: -1.541
local terms energy: -663.644489
where:
bonds (distance) C4'-P energy: -117.089
bonds (distance) P-C4' energy: -117.420
flat angles C4'-P-C4' energy: -143.891
flat angles P-C4'-P energy: -89.870
tors. eta vs tors. theta energy: -195.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1988.233222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.233222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.233222 (E_RNA)
where:
Base-Base interactions energy: -1386.536
where: short stacking energy: -551.283
Base-Backbone interact. energy: -1.845
local terms energy: -599.852545
where:
bonds (distance) C4'-P energy: -99.875
bonds (distance) P-C4' energy: -116.542
flat angles C4'-P-C4' energy: -135.856
flat angles P-C4'-P energy: -88.089
tors. eta vs tors. theta energy: -159.491
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: 275
Temperature: 1.000000
Total energy: -1935.339549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.339549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.339549 (E_RNA)
where:
Base-Base interactions energy: -1319.360
where: short stacking energy: -571.168
Base-Backbone interact. energy: 0.956
local terms energy: -616.935989
where:
bonds (distance) C4'-P energy: -104.345
bonds (distance) P-C4' energy: -109.449
flat angles C4'-P-C4' energy: -130.538
flat angles P-C4'-P energy: -93.797
tors. eta vs tors. theta energy: -178.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -1768.666402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.666402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.666402 (E_RNA)
where:
Base-Base interactions energy: -1195.793
where: short stacking energy: -492.737
Base-Backbone interact. energy: 5.610
local terms energy: -578.483689
where:
bonds (distance) C4'-P energy: -115.587
bonds (distance) P-C4' energy: -110.502
flat angles C4'-P-C4' energy: -119.518
flat angles P-C4'-P energy: -80.571
tors. eta vs tors. theta energy: -152.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -1626.217617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.217617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.217617 (E_RNA)
where:
Base-Base interactions energy: -1100.180
where: short stacking energy: -475.777
Base-Backbone interact. energy: -2.153
local terms energy: -523.884592
where:
bonds (distance) C4'-P energy: -108.614
bonds (distance) P-C4' energy: -93.153
flat angles C4'-P-C4' energy: -124.043
flat angles P-C4'-P energy: -67.385
tors. eta vs tors. theta energy: -130.690
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: 1
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -1273.295570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.295570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.295570 (E_RNA)
where:
Base-Base interactions energy: -814.640
where: short stacking energy: -346.035
Base-Backbone interact. energy: -0.859
local terms energy: -457.795940
where:
bonds (distance) C4'-P energy: -109.371
bonds (distance) P-C4' energy: -101.162
flat angles C4'-P-C4' energy: -113.246
flat angles P-C4'-P energy: -60.153
tors. eta vs tors. theta energy: -73.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -1272.179768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.179768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.179768 (E_RNA)
where:
Base-Base interactions energy: -817.515
where: short stacking energy: -352.894
Base-Backbone interact. energy: 2.280
local terms energy: -456.944429
where:
bonds (distance) C4'-P energy: -90.968
bonds (distance) P-C4' energy: -99.839
flat angles C4'-P-C4' energy: -111.932
flat angles P-C4'-P energy: -62.481
tors. eta vs tors. theta energy: -91.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -879.166702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.166702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.166702 (E_RNA)
where:
Base-Base interactions energy: -513.775
where: short stacking energy: -247.282
Base-Backbone interact. energy: 0.228
local terms energy: -365.619992
where:
bonds (distance) C4'-P energy: -85.576
bonds (distance) P-C4' energy: -104.847
flat angles C4'-P-C4' energy: -94.970
flat angles P-C4'-P energy: -50.370
tors. eta vs tors. theta energy: -29.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -821.655965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.655965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.655965 (E_RNA)
where:
Base-Base interactions energy: -452.633
where: short stacking energy: -218.764
Base-Backbone interact. energy: 1.403
local terms energy: -370.426094
where:
bonds (distance) C4'-P energy: -91.958
bonds (distance) P-C4' energy: -82.362
flat angles C4'-P-C4' energy: -106.980
flat angles P-C4'-P energy: -68.839
tors. eta vs tors. theta energy: -20.288
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: 6
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -472.341572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.341572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.341572 (E_RNA)
where:
Base-Base interactions energy: -176.752
where: short stacking energy: -153.291
Base-Backbone interact. energy: -1.014
local terms energy: -294.575523
where:
bonds (distance) C4'-P energy: -68.661
bonds (distance) P-C4' energy: -107.964
flat angles C4'-P-C4' energy: -82.261
flat angles P-C4'-P energy: -49.817
tors. eta vs tors. theta energy: 14.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -2103.188925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.188925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.188925 (E_RNA)
where:
Base-Base interactions energy: -1460.318
where: short stacking energy: -628.192
Base-Backbone interact. energy: -1.261
local terms energy: -641.609617
where:
bonds (distance) C4'-P energy: -117.015
bonds (distance) P-C4' energy: -109.757
flat angles C4'-P-C4' energy: -131.321
flat angles P-C4'-P energy: -92.268
tors. eta vs tors. theta energy: -191.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1966.132297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.132297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.132297 (E_RNA)
where:
Base-Base interactions energy: -1357.579
where: short stacking energy: -551.758
Base-Backbone interact. energy: -3.013
local terms energy: -605.540440
where:
bonds (distance) C4'-P energy: -112.994
bonds (distance) P-C4' energy: -122.568
flat angles C4'-P-C4' energy: -127.194
flat angles P-C4'-P energy: -82.994
tors. eta vs tors. theta energy: -159.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -1946.734439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.734439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.734439 (E_RNA)
where:
Base-Base interactions energy: -1348.211
where: short stacking energy: -557.813
Base-Backbone interact. energy: -1.140
local terms energy: -597.383938
where:
bonds (distance) C4'-P energy: -116.884
bonds (distance) P-C4' energy: -104.863
flat angles C4'-P-C4' energy: -132.754
flat angles P-C4'-P energy: -75.698
tors. eta vs tors. theta energy: -167.185
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: 4
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1732.581831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.581831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.581831 (E_RNA)
where:
Base-Base interactions energy: -1181.222
where: short stacking energy: -508.682
Base-Backbone interact. energy: -2.284
local terms energy: -549.076784
where:
bonds (distance) C4'-P energy: -107.300
bonds (distance) P-C4' energy: -98.323
flat angles C4'-P-C4' energy: -120.102
flat angles P-C4'-P energy: -77.509
tors. eta vs tors. theta energy: -145.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -1608.440741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.440741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.440741 (E_RNA)
where:
Base-Base interactions energy: -1099.467
where: short stacking energy: -497.481
Base-Backbone interact. energy: -0.058
local terms energy: -508.916101
where:
bonds (distance) C4'-P energy: -85.614
bonds (distance) P-C4' energy: -103.808
flat angles C4'-P-C4' energy: -111.131
flat angles P-C4'-P energy: -87.891
tors. eta vs tors. theta energy: -120.472
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: 1
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -1386.193034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.193034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.193034 (E_RNA)
where:
Base-Base interactions energy: -897.323
where: short stacking energy: -377.354
Base-Backbone interact. energy: -1.288
local terms energy: -487.582080
where:
bonds (distance) C4'-P energy: -91.616
bonds (distance) P-C4' energy: -108.098
flat angles C4'-P-C4' energy: -119.992
flat angles P-C4'-P energy: -66.920
tors. eta vs tors. theta energy: -100.956
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: 3
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -1257.341693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.341693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.341693 (E_RNA)
where:
Base-Base interactions energy: -820.914
where: short stacking energy: -373.942
Base-Backbone interact. energy: 2.740
local terms energy: -439.167144
where:
bonds (distance) C4'-P energy: -83.540
bonds (distance) P-C4' energy: -102.437
flat angles C4'-P-C4' energy: -115.945
flat angles P-C4'-P energy: -58.512
tors. eta vs tors. theta energy: -78.733
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: 5
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -898.412641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.412641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.412641 (E_RNA)
where:
Base-Base interactions energy: -498.778
where: short stacking energy: -254.579
Base-Backbone interact. energy: 1.822
local terms energy: -401.456724
where:
bonds (distance) C4'-P energy: -99.099
bonds (distance) P-C4' energy: -108.341
flat angles C4'-P-C4' energy: -98.284
flat angles P-C4'-P energy: -55.507
tors. eta vs tors. theta energy: -40.226
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: 2
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -830.939460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.939460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.939460 (E_RNA)
where:
Base-Base interactions energy: -472.030
where: short stacking energy: -234.456
Base-Backbone interact. energy: 4.526
local terms energy: -363.435531
where:
bonds (distance) C4'-P energy: -112.460
bonds (distance) P-C4' energy: -98.958
flat angles C4'-P-C4' energy: -75.504
flat angles P-C4'-P energy: -48.267
tors. eta vs tors. theta energy: -28.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -508.180915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.180915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.180915 (E_RNA)
where:
Base-Base interactions energy: -186.753
where: short stacking energy: -121.692
Base-Backbone interact. energy: 0.475
local terms energy: -321.903410
where:
bonds (distance) C4'-P energy: -106.187
bonds (distance) P-C4' energy: -105.210
flat angles C4'-P-C4' energy: -101.470
flat angles P-C4'-P energy: -32.491
tors. eta vs tors. theta energy: 23.454
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: 8
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -2128.817496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.817496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.817496 (E_RNA)
where:
Base-Base interactions energy: -1475.658
where: short stacking energy: -627.593
Base-Backbone interact. energy: -2.680
local terms energy: -650.479625
where:
bonds (distance) C4'-P energy: -112.391
bonds (distance) P-C4' energy: -107.344
flat angles C4'-P-C4' energy: -139.724
flat angles P-C4'-P energy: -99.120
tors. eta vs tors. theta energy: -191.901
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: 9
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1964.613654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.613654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.613654 (E_RNA)
where:
Base-Base interactions energy: -1340.203
where: short stacking energy: -565.493
Base-Backbone interact. energy: -2.387
local terms energy: -622.023220
where:
bonds (distance) C4'-P energy: -119.861
bonds (distance) P-C4' energy: -114.593
flat angles C4'-P-C4' energy: -127.320
flat angles P-C4'-P energy: -97.230
tors. eta vs tors. theta energy: -163.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1922.597132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.597132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.597132 (E_RNA)
where:
Base-Base interactions energy: -1341.391
where: short stacking energy: -582.401
Base-Backbone interact. energy: -1.135
local terms energy: -580.071258
where:
bonds (distance) C4'-P energy: -99.866
bonds (distance) P-C4' energy: -96.996
flat angles C4'-P-C4' energy: -132.527
flat angles P-C4'-P energy: -83.866
tors. eta vs tors. theta energy: -166.817
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: 277
Temperature: 1.050000
Total energy: -1778.402980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.402980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.402980 (E_RNA)
where:
Base-Base interactions energy: -1196.317
where: short stacking energy: -506.082
Base-Backbone interact. energy: -1.597
local terms energy: -580.489316
where:
bonds (distance) C4'-P energy: -115.813
bonds (distance) P-C4' energy: -114.114
flat angles C4'-P-C4' energy: -124.906
flat angles P-C4'-P energy: -77.727
tors. eta vs tors. theta energy: -147.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -1664.215210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.215210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.215210 (E_RNA)
where:
Base-Base interactions energy: -1136.008
where: short stacking energy: -512.045
Base-Backbone interact. energy: -1.003
local terms energy: -527.205028
where:
bonds (distance) C4'-P energy: -94.936
bonds (distance) P-C4' energy: -101.210
flat angles C4'-P-C4' energy: -118.486
flat angles P-C4'-P energy: -72.991
tors. eta vs tors. theta energy: -139.582
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: 1
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -1356.110324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.110324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.110324 (E_RNA)
where:
Base-Base interactions energy: -860.432
where: short stacking energy: -389.414
Base-Backbone interact. energy: -2.473
local terms energy: -493.205098
where:
bonds (distance) C4'-P energy: -120.743
bonds (distance) P-C4' energy: -107.482
flat angles C4'-P-C4' energy: -101.174
flat angles P-C4'-P energy: -64.237
tors. eta vs tors. theta energy: -99.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1142.568576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.568576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.568576 (E_RNA)
where:
Base-Base interactions energy: -729.201
where: short stacking energy: -306.125
Base-Backbone interact. energy: -1.296
local terms energy: -412.070880
where:
bonds (distance) C4'-P energy: -91.147
bonds (distance) P-C4' energy: -96.489
flat angles C4'-P-C4' energy: -102.379
flat angles P-C4'-P energy: -62.227
tors. eta vs tors. theta energy: -59.829
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: 277
Temperature: 1.250000
Total energy: -960.367556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.367556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.367556 (E_RNA)
where:
Base-Base interactions energy: -582.319
where: short stacking energy: -292.436
Base-Backbone interact. energy: -0.101
local terms energy: -377.948258
where:
bonds (distance) C4'-P energy: -82.543
bonds (distance) P-C4' energy: -88.892
flat angles C4'-P-C4' energy: -101.988
flat angles P-C4'-P energy: -57.506
tors. eta vs tors. theta energy: -47.020
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: 2
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -874.533463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.533463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.533463 (E_RNA)
where:
Base-Base interactions energy: -487.459
where: short stacking energy: -250.145
Base-Backbone interact. energy: 1.354
local terms energy: -388.428380
where:
bonds (distance) C4'-P energy: -86.907
bonds (distance) P-C4' energy: -103.101
flat angles C4'-P-C4' energy: -102.236
flat angles P-C4'-P energy: -55.019
tors. eta vs tors. theta energy: -41.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -454.123529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.123529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.123529 (E_RNA)
where:
Base-Base interactions energy: -178.474
where: short stacking energy: -120.206
Base-Backbone interact. energy: 1.506
local terms energy: -277.155427
where:
bonds (distance) C4'-P energy: -86.479
bonds (distance) P-C4' energy: -95.518
flat angles C4'-P-C4' energy: -67.992
flat angles P-C4'-P energy: -51.490
tors. eta vs tors. theta energy: 24.322
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: 8
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -2134.111941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.111941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.111941 (E_RNA)
where:
Base-Base interactions energy: -1465.949
where: short stacking energy: -633.346
Base-Backbone interact. energy: -3.685
local terms energy: -664.477980
where:
bonds (distance) C4'-P energy: -115.793
bonds (distance) P-C4' energy: -118.881
flat angles C4'-P-C4' energy: -139.635
flat angles P-C4'-P energy: -91.919
tors. eta vs tors. theta energy: -198.251
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: 9
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1987.224656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.224656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.224656 (E_RNA)
where:
Base-Base interactions energy: -1370.586
where: short stacking energy: -544.163
Base-Backbone interact. energy: 0.331
local terms energy: -616.969698
where:
bonds (distance) C4'-P energy: -122.026
bonds (distance) P-C4' energy: -114.192
flat angles C4'-P-C4' energy: -127.229
flat angles P-C4'-P energy: -93.982
tors. eta vs tors. theta energy: -159.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -1970.230152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.230152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.230152 (E_RNA)
where:
Base-Base interactions energy: -1358.236
where: short stacking energy: -575.423
Base-Backbone interact. energy: -2.114
local terms energy: -609.879903
where:
bonds (distance) C4'-P energy: -112.910
bonds (distance) P-C4' energy: -104.130
flat angles C4'-P-C4' energy: -124.116
flat angles P-C4'-P energy: -93.724
tors. eta vs tors. theta energy: -174.999
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: 4
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1768.805868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.805868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.805868 (E_RNA)
where:
Base-Base interactions energy: -1188.941
where: short stacking energy: -518.898
Base-Backbone interact. energy: -3.296
local terms energy: -576.568685
where:
bonds (distance) C4'-P energy: -112.508
bonds (distance) P-C4' energy: -118.294
flat angles C4'-P-C4' energy: -115.929
flat angles P-C4'-P energy: -86.197
tors. eta vs tors. theta energy: -143.640
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: 5, replica: 10
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1681.371248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.371248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.371248 (E_RNA)
where:
Base-Base interactions energy: -1136.504
where: short stacking energy: -519.974
Base-Backbone interact. energy: -1.733
local terms energy: -543.133666
where:
bonds (distance) C4'-P energy: -94.730
bonds (distance) P-C4' energy: -105.796
flat angles C4'-P-C4' energy: -120.854
flat angles P-C4'-P energy: -68.427
tors. eta vs tors. theta energy: -153.327
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: 6, replica: 1
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -1353.877003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.877003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.877003 (E_RNA)
where:
Base-Base interactions energy: -864.449
where: short stacking energy: -400.800
Base-Backbone interact. energy: -1.313
local terms energy: -488.115582
where:
bonds (distance) C4'-P energy: -107.138
bonds (distance) P-C4' energy: -102.280
flat angles C4'-P-C4' energy: -112.852
flat angles P-C4'-P energy: -76.760
tors. eta vs tors. theta energy: -89.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -1197.922920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.922920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.922920 (E_RNA)
where:
Base-Base interactions energy: -743.773
where: short stacking energy: -343.513
Base-Backbone interact. energy: 2.328
local terms energy: -456.477440
where:
bonds (distance) C4'-P energy: -90.835
bonds (distance) P-C4' energy: -100.190
flat angles C4'-P-C4' energy: -105.311
flat angles P-C4'-P energy: -72.791
tors. eta vs tors. theta energy: -87.350
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: 5
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -974.488981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.488981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.488981 (E_RNA)
where:
Base-Base interactions energy: -564.182
where: short stacking energy: -268.067
Base-Backbone interact. energy: -0.679
local terms energy: -409.628602
where:
bonds (distance) C4'-P energy: -109.367
bonds (distance) P-C4' energy: -77.670
flat angles C4'-P-C4' energy: -105.362
flat angles P-C4'-P energy: -62.816
tors. eta vs tors. theta energy: -54.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -871.707431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.707431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.707431 (E_RNA)
where:
Base-Base interactions energy: -484.765
where: short stacking energy: -227.591
Base-Backbone interact. energy: -0.065
local terms energy: -386.876890
where:
bonds (distance) C4'-P energy: -101.671
bonds (distance) P-C4' energy: -105.984
flat angles C4'-P-C4' energy: -93.275
flat angles P-C4'-P energy: -54.736
tors. eta vs tors. theta energy: -31.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -478.510795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.510795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.510795 (E_RNA)
where:
Base-Base interactions energy: -179.854
where: short stacking energy: -126.921
Base-Backbone interact. energy: 0.075
local terms energy: -298.732119
where:
bonds (distance) C4'-P energy: -84.557
bonds (distance) P-C4' energy: -106.096
flat angles C4'-P-C4' energy: -73.650
flat angles P-C4'-P energy: -46.821
tors. eta vs tors. theta energy: 12.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -2133.956905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.956905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.956905 (E_RNA)
where:
Base-Base interactions energy: -1480.370
where: short stacking energy: -642.053
Base-Backbone interact. energy: -0.322
local terms energy: -653.265351
where:
bonds (distance) C4'-P energy: -116.502
bonds (distance) P-C4' energy: -121.224
flat angles C4'-P-C4' energy: -128.283
flat angles P-C4'-P energy: -94.931
tors. eta vs tors. theta energy: -192.325
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: 2, replica: 9
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1963.737447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.737447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.737447 (E_RNA)
where:
Base-Base interactions energy: -1386.484
where: short stacking energy: -563.024
Base-Backbone interact. energy: -2.472
local terms energy: -574.781284
where:
bonds (distance) C4'-P energy: -114.544
bonds (distance) P-C4' energy: -107.878
flat angles C4'-P-C4' energy: -98.872
flat angles P-C4'-P energy: -93.844
tors. eta vs tors. theta energy: -159.644
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: 7
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -1974.057056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.057056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.057056 (E_RNA)
where:
Base-Base interactions energy: -1360.931
where: short stacking energy: -595.168
Base-Backbone interact. energy: -1.252
local terms energy: -611.873865
where:
bonds (distance) C4'-P energy: -108.817
bonds (distance) P-C4' energy: -114.814
flat angles C4'-P-C4' energy: -127.369
flat angles P-C4'-P energy: -86.375
tors. eta vs tors. theta energy: -174.499
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: 4
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -1715.445673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.445673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.445673 (E_RNA)
where:
Base-Base interactions energy: -1183.436
where: short stacking energy: -506.073
Base-Backbone interact. energy: -2.690
local terms energy: -529.319298
where:
bonds (distance) C4'-P energy: -92.352
bonds (distance) P-C4' energy: -94.889
flat angles C4'-P-C4' energy: -126.726
flat angles P-C4'-P energy: -76.044
tors. eta vs tors. theta energy: -139.308
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: 5, replica: 10
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1696.872681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.872681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.872681 (E_RNA)
where:
Base-Base interactions energy: -1143.379
where: short stacking energy: -505.425
Base-Backbone interact. energy: -1.158
local terms energy: -552.335133
where:
bonds (distance) C4'-P energy: -108.944
bonds (distance) P-C4' energy: -101.312
flat angles C4'-P-C4' energy: -109.296
flat angles P-C4'-P energy: -82.109
tors. eta vs tors. theta energy: -150.675
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: 1
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -1280.822600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.822600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.822600 (E_RNA)
where:
Base-Base interactions energy: -821.874
where: short stacking energy: -362.147
Base-Backbone interact. energy: -1.578
local terms energy: -457.371205
where:
bonds (distance) C4'-P energy: -94.367
bonds (distance) P-C4' energy: -101.798
flat angles C4'-P-C4' energy: -111.324
flat angles P-C4'-P energy: -63.639
tors. eta vs tors. theta energy: -86.242
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: 3
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1248.432006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.432006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.432006 (E_RNA)
where:
Base-Base interactions energy: -771.615
where: short stacking energy: -350.684
Base-Backbone interact. energy: 1.541
local terms energy: -478.357619
where:
bonds (distance) C4'-P energy: -108.178
bonds (distance) P-C4' energy: -114.363
flat angles C4'-P-C4' energy: -107.199
flat angles P-C4'-P energy: -68.208
tors. eta vs tors. theta energy: -80.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -952.914432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.914432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.914432 (E_RNA)
where:
Base-Base interactions energy: -572.000
where: short stacking energy: -281.637
Base-Backbone interact. energy: -1.889
local terms energy: -379.025191
where:
bonds (distance) C4'-P energy: -80.480
bonds (distance) P-C4' energy: -89.301
flat angles C4'-P-C4' energy: -96.646
flat angles P-C4'-P energy: -58.886
tors. eta vs tors. theta energy: -53.712
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: 2
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -869.253525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.253525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.253525 (E_RNA)
where:
Base-Base interactions energy: -498.898
where: short stacking energy: -240.500
Base-Backbone interact. energy: -2.093
local terms energy: -368.261973
where:
bonds (distance) C4'-P energy: -75.992
bonds (distance) P-C4' energy: -90.929
flat angles C4'-P-C4' energy: -108.240
flat angles P-C4'-P energy: -58.432
tors. eta vs tors. theta energy: -34.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -480.794821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.794821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.794821 (E_RNA)
where:
Base-Base interactions energy: -178.417
where: short stacking energy: -144.469
Base-Backbone interact. energy: 1.876
local terms energy: -304.254229
where:
bonds (distance) C4'-P energy: -97.292
bonds (distance) P-C4' energy: -95.054
flat angles C4'-P-C4' energy: -75.345
flat angles P-C4'-P energy: -49.868
tors. eta vs tors. theta energy: 13.305
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: 1, replica: 8
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -2143.090255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.090255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.090255 (E_RNA)
where:
Base-Base interactions energy: -1483.512
where: short stacking energy: -640.023
Base-Backbone interact. energy: -1.379
local terms energy: -658.198905
where:
bonds (distance) C4'-P energy: -117.941
bonds (distance) P-C4' energy: -125.794
flat angles C4'-P-C4' energy: -133.275
flat angles P-C4'-P energy: -94.927
tors. eta vs tors. theta energy: -186.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1982.629140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.629140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.629140 (E_RNA)
where:
Base-Base interactions energy: -1357.819
where: short stacking energy: -529.801
Base-Backbone interact. energy: -1.837
local terms energy: -622.973654
where:
bonds (distance) C4'-P energy: -118.993
bonds (distance) P-C4' energy: -130.486
flat angles C4'-P-C4' energy: -119.855
flat angles P-C4'-P energy: -98.227
tors. eta vs tors. theta energy: -155.411
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: 7
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -1949.139581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.139581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.139581 (E_RNA)
where:
Base-Base interactions energy: -1334.289
where: short stacking energy: -550.473
Base-Backbone interact. energy: -1.822
local terms energy: -613.028707
where:
bonds (distance) C4'-P energy: -117.686
bonds (distance) P-C4' energy: -110.770
flat angles C4'-P-C4' energy: -127.267
flat angles P-C4'-P energy: -84.658
tors. eta vs tors. theta energy: -172.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1727.774336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.774336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.774336 (E_RNA)
where:
Base-Base interactions energy: -1180.473
where: short stacking energy: -488.982
Base-Backbone interact. energy: 0.219
local terms energy: -547.519678
where:
bonds (distance) C4'-P energy: -117.190
bonds (distance) P-C4' energy: -112.061
flat angles C4'-P-C4' energy: -110.668
flat angles P-C4'-P energy: -72.745
tors. eta vs tors. theta energy: -134.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -1677.929507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.929507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.929507 (E_RNA)
where:
Base-Base interactions energy: -1124.121
where: short stacking energy: -493.421
Base-Backbone interact. energy: -0.530
local terms energy: -553.278311
where:
bonds (distance) C4'-P energy: -91.393
bonds (distance) P-C4' energy: -104.256
flat angles C4'-P-C4' energy: -128.686
flat angles P-C4'-P energy: -80.993
tors. eta vs tors. theta energy: -147.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -1291.943733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.943733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.943733 (E_RNA)
where:
Base-Base interactions energy: -835.163
where: short stacking energy: -371.620
Base-Backbone interact. energy: -1.928
local terms energy: -454.852577
where:
bonds (distance) C4'-P energy: -88.133
bonds (distance) P-C4' energy: -109.372
flat angles C4'-P-C4' energy: -103.314
flat angles P-C4'-P energy: -58.260
tors. eta vs tors. theta energy: -95.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -1318.854790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.854790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.854790 (E_RNA)
where:
Base-Base interactions energy: -862.398
where: short stacking energy: -371.812
Base-Backbone interact. energy: -0.405
local terms energy: -456.051326
where:
bonds (distance) C4'-P energy: -104.474
bonds (distance) P-C4' energy: -75.289
flat angles C4'-P-C4' energy: -102.612
flat angles P-C4'-P energy: -74.729
tors. eta vs tors. theta energy: -98.948
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: 8, replica: 5
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -967.621377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.621377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.621377 (E_RNA)
where:
Base-Base interactions energy: -547.015
where: short stacking energy: -251.280
Base-Backbone interact. energy: -1.275
local terms energy: -419.331792
where:
bonds (distance) C4'-P energy: -108.660
bonds (distance) P-C4' energy: -107.614
flat angles C4'-P-C4' energy: -103.633
flat angles P-C4'-P energy: -58.912
tors. eta vs tors. theta energy: -40.513
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: 2
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -849.647617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.647617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.647617 (E_RNA)
where:
Base-Base interactions energy: -451.453
where: short stacking energy: -240.047
Base-Backbone interact. energy: 1.363
local terms energy: -399.557824
where:
bonds (distance) C4'-P energy: -103.991
bonds (distance) P-C4' energy: -118.192
flat angles C4'-P-C4' energy: -101.650
flat angles P-C4'-P energy: -53.840
tors. eta vs tors. theta energy: -21.883
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: 6
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -450.200737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.200737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.200737 (E_RNA)
where:
Base-Base interactions energy: -160.333
where: short stacking energy: -135.563
Base-Backbone interact. energy: 1.114
local terms energy: -290.981980
where:
bonds (distance) C4'-P energy: -79.478
bonds (distance) P-C4' energy: -101.171
flat angles C4'-P-C4' energy: -82.030
flat angles P-C4'-P energy: -46.254
tors. eta vs tors. theta energy: 17.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -2128.505456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.505456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.505456 (E_RNA)
where:
Base-Base interactions energy: -1436.819
where: short stacking energy: -619.259
Base-Backbone interact. energy: -1.564
local terms energy: -690.123234
where:
bonds (distance) C4'-P energy: -117.177
bonds (distance) P-C4' energy: -120.029
flat angles C4'-P-C4' energy: -143.590
flat angles P-C4'-P energy: -106.244
tors. eta vs tors. theta energy: -203.084
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: 281
Temperature: 0.950000
Total energy: -1999.773607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.773607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.773607 (E_RNA)
where:
Base-Base interactions energy: -1416.746
where: short stacking energy: -547.532
Base-Backbone interact. energy: -1.762
local terms energy: -581.265486
where:
bonds (distance) C4'-P energy: -102.512
bonds (distance) P-C4' energy: -104.667
flat angles C4'-P-C4' energy: -126.692
flat angles P-C4'-P energy: -79.395
tors. eta vs tors. theta energy: -168.000
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: 3, replica: 7
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -1996.505250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.505250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.505250 (E_RNA)
where:
Base-Base interactions energy: -1374.490
where: short stacking energy: -579.829
Base-Backbone interact. energy: 0.556
local terms energy: -622.571482
where:
bonds (distance) C4'-P energy: -118.604
bonds (distance) P-C4' energy: -112.991
flat angles C4'-P-C4' energy: -137.248
flat angles P-C4'-P energy: -78.631
tors. eta vs tors. theta energy: -175.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -1719.432853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.432853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.432853 (E_RNA)
where:
Base-Base interactions energy: -1155.864
where: short stacking energy: -513.354
Base-Backbone interact. energy: 0.591
local terms energy: -564.159974
where:
bonds (distance) C4'-P energy: -124.374
bonds (distance) P-C4' energy: -95.383
flat angles C4'-P-C4' energy: -117.347
flat angles P-C4'-P energy: -78.743
tors. eta vs tors. theta energy: -148.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -1663.942829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.942829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.942829 (E_RNA)
where:
Base-Base interactions energy: -1154.394
where: short stacking energy: -472.315
Base-Backbone interact. energy: -1.045
local terms energy: -508.503524
where:
bonds (distance) C4'-P energy: -101.108
bonds (distance) P-C4' energy: -95.997
flat angles C4'-P-C4' energy: -113.648
flat angles P-C4'-P energy: -68.999
tors. eta vs tors. theta energy: -128.752
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: 281
Temperature: 1.150000
Total energy: -1323.027110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.027110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.027110 (E_RNA)
where:
Base-Base interactions energy: -817.363
where: short stacking energy: -353.514
Base-Backbone interact. energy: -1.890
local terms energy: -503.773440
where:
bonds (distance) C4'-P energy: -103.042
bonds (distance) P-C4' energy: -112.833
flat angles C4'-P-C4' energy: -108.442
flat angles P-C4'-P energy: -76.771
tors. eta vs tors. theta energy: -102.686
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: 3
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -1254.816885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.816885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.816885 (E_RNA)
where:
Base-Base interactions energy: -793.821
where: short stacking energy: -355.499
Base-Backbone interact. energy: -1.221
local terms energy: -459.774791
where:
bonds (distance) C4'-P energy: -97.234
bonds (distance) P-C4' energy: -97.419
flat angles C4'-P-C4' energy: -114.168
flat angles P-C4'-P energy: -69.747
tors. eta vs tors. theta energy: -81.207
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: 8, replica: 2
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -905.495370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.495370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.495370 (E_RNA)
where:
Base-Base interactions energy: -559.810
where: short stacking energy: -264.779
Base-Backbone interact. energy: 2.648
local terms energy: -348.333301
where:
bonds (distance) C4'-P energy: -99.710
bonds (distance) P-C4' energy: -108.726
flat angles C4'-P-C4' energy: -65.315
flat angles P-C4'-P energy: -43.206
tors. eta vs tors. theta energy: -31.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -874.733535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.733535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.733535 (E_RNA)
where:
Base-Base interactions energy: -512.459
where: short stacking energy: -256.370
Base-Backbone interact. energy: -0.982
local terms energy: -361.292012
where:
bonds (distance) C4'-P energy: -76.916
bonds (distance) P-C4' energy: -110.266
flat angles C4'-P-C4' energy: -89.870
flat angles P-C4'-P energy: -49.855
tors. eta vs tors. theta energy: -34.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -448.550343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.550343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.550343 (E_RNA)
where:
Base-Base interactions energy: -168.750
where: short stacking energy: -110.223
Base-Backbone interact. energy: -0.533
local terms energy: -279.267085
where:
bonds (distance) C4'-P energy: -97.425
bonds (distance) P-C4' energy: -106.635
flat angles C4'-P-C4' energy: -52.577
flat angles P-C4'-P energy: -41.256
tors. eta vs tors. theta energy: 18.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -2137.863357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.863357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.863357 (E_RNA)
where:
Base-Base interactions energy: -1451.258
where: short stacking energy: -618.864
Base-Backbone interact. energy: -1.267
local terms energy: -685.338269
where:
bonds (distance) C4'-P energy: -126.548
bonds (distance) P-C4' energy: -131.862
flat angles C4'-P-C4' energy: -135.959
flat angles P-C4'-P energy: -98.488
tors. eta vs tors. theta energy: -192.481
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: 9
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -2003.958819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.958819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.958819 (E_RNA)
where:
Base-Base interactions energy: -1395.056
where: short stacking energy: -557.926
Base-Backbone interact. energy: -2.230
local terms energy: -606.672640
where:
bonds (distance) C4'-P energy: -105.756
bonds (distance) P-C4' energy: -118.779
flat angles C4'-P-C4' energy: -122.872
flat angles P-C4'-P energy: -96.638
tors. eta vs tors. theta energy: -162.627
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: 282
Temperature: 1.000000
Total energy: -1983.634171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.634171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.634171 (E_RNA)
where:
Base-Base interactions energy: -1371.339
where: short stacking energy: -583.849
Base-Backbone interact. energy: -1.787
local terms energy: -610.507860
where:
bonds (distance) C4'-P energy: -113.214
bonds (distance) P-C4' energy: -111.435
flat angles C4'-P-C4' energy: -124.838
flat angles P-C4'-P energy: -82.449
tors. eta vs tors. theta energy: -178.572
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: 10
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -1767.232455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.232455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.232455 (E_RNA)
where:
Base-Base interactions energy: -1186.686
where: short stacking energy: -511.781
Base-Backbone interact. energy: 0.137
local terms energy: -580.683532
where:
bonds (distance) C4'-P energy: -110.313
bonds (distance) P-C4' energy: -119.758
flat angles C4'-P-C4' energy: -124.177
flat angles P-C4'-P energy: -87.613
tors. eta vs tors. theta energy: -138.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -1642.797074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.797074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.797074 (E_RNA)
where:
Base-Base interactions energy: -1093.296
where: short stacking energy: -469.890
Base-Backbone interact. energy: -3.170
local terms energy: -546.331049
where:
bonds (distance) C4'-P energy: -94.453
bonds (distance) P-C4' energy: -112.538
flat angles C4'-P-C4' energy: -131.103
flat angles P-C4'-P energy: -72.611
tors. eta vs tors. theta energy: -135.626
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: 282
Temperature: 1.150000
Total energy: -1274.896382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.896382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.896382 (E_RNA)
where:
Base-Base interactions energy: -807.694
where: short stacking energy: -341.451
Base-Backbone interact. energy: -3.081
local terms energy: -464.121932
where:
bonds (distance) C4'-P energy: -102.506
bonds (distance) P-C4' energy: -105.294
flat angles C4'-P-C4' energy: -120.996
flat angles P-C4'-P energy: -57.828
tors. eta vs tors. theta energy: -77.498
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: 3
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -1274.181499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.181499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.181499 (E_RNA)
where:
Base-Base interactions energy: -812.124
where: short stacking energy: -361.002
Base-Backbone interact. energy: -3.625
local terms energy: -458.432420
where:
bonds (distance) C4'-P energy: -100.768
bonds (distance) P-C4' energy: -107.492
flat angles C4'-P-C4' energy: -103.255
flat angles P-C4'-P energy: -55.677
tors. eta vs tors. theta energy: -91.241
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: 8, replica: 2
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -930.783431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.783431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.783431 (E_RNA)
where:
Base-Base interactions energy: -541.189
where: short stacking energy: -266.222
Base-Backbone interact. energy: -3.032
local terms energy: -386.562324
where:
bonds (distance) C4'-P energy: -105.179
bonds (distance) P-C4' energy: -95.077
flat angles C4'-P-C4' energy: -91.986
flat angles P-C4'-P energy: -59.642
tors. eta vs tors. theta energy: -34.678
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: 5
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -875.211826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.211826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.211826 (E_RNA)
where:
Base-Base interactions energy: -518.825
where: short stacking energy: -243.418
Base-Backbone interact. energy: 0.386
local terms energy: -356.772951
where:
bonds (distance) C4'-P energy: -84.288
bonds (distance) P-C4' energy: -109.229
flat angles C4'-P-C4' energy: -87.052
flat angles P-C4'-P energy: -47.398
tors. eta vs tors. theta energy: -28.806
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: 10, replica: 6
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -471.534923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.534923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.534923 (E_RNA)
where:
Base-Base interactions energy: -171.050
where: short stacking energy: -132.636
Base-Backbone interact. energy: 8.345
local terms energy: -308.829851
where:
bonds (distance) C4'-P energy: -83.431
bonds (distance) P-C4' energy: -94.862
flat angles C4'-P-C4' energy: -86.992
flat angles P-C4'-P energy: -51.005
tors. eta vs tors. theta energy: 7.461
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: 8
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -2108.492278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.492278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.492278 (E_RNA)
where:
Base-Base interactions energy: -1437.962
where: short stacking energy: -626.787
Base-Backbone interact. energy: -2.749
local terms energy: -667.780810
where:
bonds (distance) C4'-P energy: -130.116
bonds (distance) P-C4' energy: -117.723
flat angles C4'-P-C4' energy: -131.006
flat angles P-C4'-P energy: -92.922
tors. eta vs tors. theta energy: -196.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -2006.806387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.806387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.806387 (E_RNA)
where:
Base-Base interactions energy: -1413.938
where: short stacking energy: -550.971
Base-Backbone interact. energy: -3.427
local terms energy: -589.440838
where:
bonds (distance) C4'-P energy: -102.745
bonds (distance) P-C4' energy: -125.289
flat angles C4'-P-C4' energy: -118.816
flat angles P-C4'-P energy: -83.887
tors. eta vs tors. theta energy: -158.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -1960.467770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.467770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.467770 (E_RNA)
where:
Base-Base interactions energy: -1345.397
where: short stacking energy: -575.344
Base-Backbone interact. energy: -4.076
local terms energy: -610.995468
where:
bonds (distance) C4'-P energy: -117.116
bonds (distance) P-C4' energy: -104.780
flat angles C4'-P-C4' energy: -133.597
flat angles P-C4'-P energy: -94.751
tors. eta vs tors. theta energy: -160.752
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: 4, replica: 10
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -1724.367468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.367468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.367468 (E_RNA)
where:
Base-Base interactions energy: -1138.662
where: short stacking energy: -508.629
Base-Backbone interact. energy: -3.709
local terms energy: -581.996829
where:
bonds (distance) C4'-P energy: -111.495
bonds (distance) P-C4' energy: -107.579
flat angles C4'-P-C4' energy: -126.691
flat angles P-C4'-P energy: -87.142
tors. eta vs tors. theta energy: -149.090
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: 5, replica: 4
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -1676.867681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.867681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.867681 (E_RNA)
where:
Base-Base interactions energy: -1135.314
where: short stacking energy: -463.308
Base-Backbone interact. energy: -3.237
local terms energy: -538.316273
where:
bonds (distance) C4'-P energy: -104.746
bonds (distance) P-C4' energy: -105.795
flat angles C4'-P-C4' energy: -127.297
flat angles P-C4'-P energy: -82.331
tors. eta vs tors. theta energy: -118.147
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: 3
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1420.853627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.853627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.853627 (E_RNA)
where:
Base-Base interactions energy: -931.969
where: short stacking energy: -413.799
Base-Backbone interact. energy: -1.569
local terms energy: -487.316229
where:
bonds (distance) C4'-P energy: -104.638
bonds (distance) P-C4' energy: -96.495
flat angles C4'-P-C4' energy: -117.758
flat angles P-C4'-P energy: -72.801
tors. eta vs tors. theta energy: -95.625
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: 1
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1224.084903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.084903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.084903 (E_RNA)
where:
Base-Base interactions energy: -793.407
where: short stacking energy: -331.059
Base-Backbone interact. energy: 0.578
local terms energy: -431.255587
where:
bonds (distance) C4'-P energy: -91.365
bonds (distance) P-C4' energy: -97.977
flat angles C4'-P-C4' energy: -109.356
flat angles P-C4'-P energy: -65.248
tors. eta vs tors. theta energy: -67.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -941.929395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.929395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.929395 (E_RNA)
where:
Base-Base interactions energy: -537.947
where: short stacking energy: -254.046
Base-Backbone interact. energy: -1.114
local terms energy: -402.868444
where:
bonds (distance) C4'-P energy: -88.637
bonds (distance) P-C4' energy: -104.172
flat angles C4'-P-C4' energy: -103.076
flat angles P-C4'-P energy: -64.965
tors. eta vs tors. theta energy: -42.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -906.879190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.879190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.879190 (E_RNA)
where:
Base-Base interactions energy: -527.139
where: short stacking energy: -242.305
Base-Backbone interact. energy: -1.338
local terms energy: -378.402380
where:
bonds (distance) C4'-P energy: -89.630
bonds (distance) P-C4' energy: -100.325
flat angles C4'-P-C4' energy: -90.136
flat angles P-C4'-P energy: -66.386
tors. eta vs tors. theta energy: -31.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -432.602397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.602397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.602397 (E_RNA)
where:
Base-Base interactions energy: -153.188
where: short stacking energy: -118.466
Base-Backbone interact. energy: -1.067
local terms energy: -278.347126
where:
bonds (distance) C4'-P energy: -99.024
bonds (distance) P-C4' energy: -91.222
flat angles C4'-P-C4' energy: -82.624
flat angles P-C4'-P energy: -34.346
tors. eta vs tors. theta energy: 28.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -2084.068813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.068813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.068813 (E_RNA)
where:
Base-Base interactions energy: -1445.576
where: short stacking energy: -609.455
Base-Backbone interact. energy: 0.385
local terms energy: -638.878577
where:
bonds (distance) C4'-P energy: -117.115
bonds (distance) P-C4' energy: -111.674
flat angles C4'-P-C4' energy: -137.947
flat angles P-C4'-P energy: -86.525
tors. eta vs tors. theta energy: -185.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -2019.887781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.887781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.887781 (E_RNA)
where:
Base-Base interactions energy: -1390.705
where: short stacking energy: -557.415
Base-Backbone interact. energy: 0.861
local terms energy: -630.043703
where:
bonds (distance) C4'-P energy: -114.170
bonds (distance) P-C4' energy: -128.167
flat angles C4'-P-C4' energy: -131.459
flat angles P-C4'-P energy: -93.523
tors. eta vs tors. theta energy: -162.725
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: 3, replica: 7
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -1960.065414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.065414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.065414 (E_RNA)
where:
Base-Base interactions energy: -1361.798
where: short stacking energy: -568.938
Base-Backbone interact. energy: -2.851
local terms energy: -595.416250
where:
bonds (distance) C4'-P energy: -111.607
bonds (distance) P-C4' energy: -106.796
flat angles C4'-P-C4' energy: -123.468
flat angles P-C4'-P energy: -91.613
tors. eta vs tors. theta energy: -161.932
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: 10
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1729.124020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.124020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.124020 (E_RNA)
where:
Base-Base interactions energy: -1171.503
where: short stacking energy: -522.704
Base-Backbone interact. energy: -2.648
local terms energy: -554.972950
where:
bonds (distance) C4'-P energy: -92.534
bonds (distance) P-C4' energy: -102.169
flat angles C4'-P-C4' energy: -126.623
flat angles P-C4'-P energy: -88.578
tors. eta vs tors. theta energy: -145.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1677.053336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.053336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.053336 (E_RNA)
where:
Base-Base interactions energy: -1133.495
where: short stacking energy: -486.989
Base-Backbone interact. energy: -5.015
local terms energy: -538.542857
where:
bonds (distance) C4'-P energy: -90.217
bonds (distance) P-C4' energy: -114.627
flat angles C4'-P-C4' energy: -124.684
flat angles P-C4'-P energy: -69.385
tors. eta vs tors. theta energy: -139.630
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: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1364.200951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.200951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.200951 (E_RNA)
where:
Base-Base interactions energy: -874.424
where: short stacking energy: -382.297
Base-Backbone interact. energy: -1.576
local terms energy: -488.200593
where:
bonds (distance) C4'-P energy: -106.239
bonds (distance) P-C4' energy: -114.978
flat angles C4'-P-C4' energy: -118.262
flat angles P-C4'-P energy: -62.072
tors. eta vs tors. theta energy: -86.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -1214.509695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.509695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.509695 (E_RNA)
where:
Base-Base interactions energy: -752.675
where: short stacking energy: -351.876
Base-Backbone interact. energy: -0.191
local terms energy: -461.643807
where:
bonds (distance) C4'-P energy: -109.413
bonds (distance) P-C4' energy: -113.891
flat angles C4'-P-C4' energy: -104.622
flat angles P-C4'-P energy: -50.007
tors. eta vs tors. theta energy: -83.710
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: 8, replica: 5
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -951.834624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.834624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.834624 (E_RNA)
where:
Base-Base interactions energy: -529.877
where: short stacking energy: -270.206
Base-Backbone interact. energy: 0.062
local terms energy: -422.019976
where:
bonds (distance) C4'-P energy: -105.208
bonds (distance) P-C4' energy: -114.298
flat angles C4'-P-C4' energy: -89.110
flat angles P-C4'-P energy: -70.940
tors. eta vs tors. theta energy: -42.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -904.963245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.963245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.963245 (E_RNA)
where:
Base-Base interactions energy: -521.331
where: short stacking energy: -282.659
Base-Backbone interact. energy: -4.193
local terms energy: -379.438756
where:
bonds (distance) C4'-P energy: -92.597
bonds (distance) P-C4' energy: -76.882
flat angles C4'-P-C4' energy: -106.154
flat angles P-C4'-P energy: -57.167
tors. eta vs tors. theta energy: -46.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -451.059221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.059221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.059221 (E_RNA)
where:
Base-Base interactions energy: -148.738
where: short stacking energy: -122.906
Base-Backbone interact. energy: -1.325
local terms energy: -300.996599
where:
bonds (distance) C4'-P energy: -86.886
bonds (distance) P-C4' energy: -103.175
flat angles C4'-P-C4' energy: -85.602
flat angles P-C4'-P energy: -34.880
tors. eta vs tors. theta energy: 9.547
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: 1, replica: 8
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -2090.560239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.560239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.560239 (E_RNA)
where:
Base-Base interactions energy: -1436.646
where: short stacking energy: -603.979
Base-Backbone interact. energy: -0.832
local terms energy: -653.082378
where:
bonds (distance) C4'-P energy: -117.315
bonds (distance) P-C4' energy: -127.650
flat angles C4'-P-C4' energy: -130.266
flat angles P-C4'-P energy: -88.938
tors. eta vs tors. theta energy: -188.915
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: 2, replica: 9
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1973.634637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.634637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.634637 (E_RNA)
where:
Base-Base interactions energy: -1355.540
where: short stacking energy: -538.235
Base-Backbone interact. energy: -3.210
local terms energy: -614.884617
where:
bonds (distance) C4'-P energy: -103.081
bonds (distance) P-C4' energy: -123.706
flat angles C4'-P-C4' energy: -128.807
flat angles P-C4'-P energy: -85.493
tors. eta vs tors. theta energy: -173.797
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: 3, replica: 7
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1948.891775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.891775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.891775 (E_RNA)
where:
Base-Base interactions energy: -1351.008
where: short stacking energy: -567.313
Base-Backbone interact. energy: -3.169
local terms energy: -594.714124
where:
bonds (distance) C4'-P energy: -100.548
bonds (distance) P-C4' energy: -114.429
flat angles C4'-P-C4' energy: -123.462
flat angles P-C4'-P energy: -80.389
tors. eta vs tors. theta energy: -175.887
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: 4
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -1737.736404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.736404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.736404 (E_RNA)
where:
Base-Base interactions energy: -1169.692
where: short stacking energy: -490.761
Base-Backbone interact. energy: 0.500
local terms energy: -568.543634
where:
bonds (distance) C4'-P energy: -119.436
bonds (distance) P-C4' energy: -108.948
flat angles C4'-P-C4' energy: -123.864
flat angles P-C4'-P energy: -74.415
tors. eta vs tors. theta energy: -141.881
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: 10
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -1639.026967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.026967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.026967 (E_RNA)
where:
Base-Base interactions energy: -1109.850
where: short stacking energy: -449.030
Base-Backbone interact. energy: -1.727
local terms energy: -527.449478
where:
bonds (distance) C4'-P energy: -96.236
bonds (distance) P-C4' energy: -119.362
flat angles C4'-P-C4' energy: -115.294
flat angles P-C4'-P energy: -78.267
tors. eta vs tors. theta energy: -118.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1383.396126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.396126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.396126 (E_RNA)
where:
Base-Base interactions energy: -912.268
where: short stacking energy: -401.416
Base-Backbone interact. energy: -2.194
local terms energy: -468.935112
where:
bonds (distance) C4'-P energy: -79.411
bonds (distance) P-C4' energy: -99.069
flat angles C4'-P-C4' energy: -113.741
flat angles P-C4'-P energy: -69.111
tors. eta vs tors. theta energy: -107.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -1243.986839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.986839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.986839 (E_RNA)
where:
Base-Base interactions energy: -780.461
where: short stacking energy: -362.814
Base-Backbone interact. energy: -5.366
local terms energy: -458.159692
where:
bonds (distance) C4'-P energy: -92.354
bonds (distance) P-C4' energy: -102.929
flat angles C4'-P-C4' energy: -103.037
flat angles P-C4'-P energy: -64.984
tors. eta vs tors. theta energy: -94.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -933.791289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.791289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.791289 (E_RNA)
where:
Base-Base interactions energy: -504.094
where: short stacking energy: -266.728
Base-Backbone interact. energy: -3.941
local terms energy: -425.756071
where:
bonds (distance) C4'-P energy: -97.970
bonds (distance) P-C4' energy: -116.261
flat angles C4'-P-C4' energy: -102.269
flat angles P-C4'-P energy: -55.527
tors. eta vs tors. theta energy: -53.729
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: 2
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -866.523020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.523020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.523020 (E_RNA)
where:
Base-Base interactions energy: -531.263
where: short stacking energy: -267.126
Base-Backbone interact. energy: -1.231
local terms energy: -334.028956
where:
bonds (distance) C4'-P energy: -92.203
bonds (distance) P-C4' energy: -88.960
flat angles C4'-P-C4' energy: -73.689
flat angles P-C4'-P energy: -41.822
tors. eta vs tors. theta energy: -37.356
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: 6
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -434.718368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.718368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.718368 (E_RNA)
where:
Base-Base interactions energy: -145.122
where: short stacking energy: -106.886
Base-Backbone interact. energy: -0.703
local terms energy: -288.893724
where:
bonds (distance) C4'-P energy: -92.668
bonds (distance) P-C4' energy: -112.359
flat angles C4'-P-C4' energy: -73.846
flat angles P-C4'-P energy: -43.301
tors. eta vs tors. theta energy: 33.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -2126.858912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.858912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.858912 (E_RNA)
where:
Base-Base interactions energy: -1477.790
where: short stacking energy: -633.763
Base-Backbone interact. energy: -3.009
local terms energy: -646.059761
where:
bonds (distance) C4'-P energy: -116.143
bonds (distance) P-C4' energy: -113.151
flat angles C4'-P-C4' energy: -133.446
flat angles P-C4'-P energy: -85.118
tors. eta vs tors. theta energy: -198.203
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: 9
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1994.990146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.990146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.990146 (E_RNA)
where:
Base-Base interactions energy: -1373.261
where: short stacking energy: -537.722
Base-Backbone interact. energy: -2.987
local terms energy: -618.742415
where:
bonds (distance) C4'-P energy: -120.083
bonds (distance) P-C4' energy: -121.294
flat angles C4'-P-C4' energy: -125.753
flat angles P-C4'-P energy: -87.485
tors. eta vs tors. theta energy: -164.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1966.383128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.383128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.383128 (E_RNA)
where:
Base-Base interactions energy: -1375.689
where: short stacking energy: -568.398
Base-Backbone interact. energy: -0.910
local terms energy: -589.783911
where:
bonds (distance) C4'-P energy: -114.483
bonds (distance) P-C4' energy: -107.353
flat angles C4'-P-C4' energy: -123.679
flat angles P-C4'-P energy: -85.111
tors. eta vs tors. theta energy: -159.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1740.458320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.458320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.458320 (E_RNA)
where:
Base-Base interactions energy: -1158.541
where: short stacking energy: -508.854
Base-Backbone interact. energy: -1.172
local terms energy: -580.744830
where:
bonds (distance) C4'-P energy: -119.043
bonds (distance) P-C4' energy: -110.697
flat angles C4'-P-C4' energy: -141.165
flat angles P-C4'-P energy: -61.059
tors. eta vs tors. theta energy: -148.780
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: 5, replica: 10
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1722.751059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.751059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.751059 (E_RNA)
where:
Base-Base interactions energy: -1165.553
where: short stacking energy: -515.360
Base-Backbone interact. energy: 0.811
local terms energy: -558.009710
where:
bonds (distance) C4'-P energy: -92.997
bonds (distance) P-C4' energy: -108.247
flat angles C4'-P-C4' energy: -132.055
flat angles P-C4'-P energy: -75.793
tors. eta vs tors. theta energy: -148.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1362.873547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.873547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.873547 (E_RNA)
where:
Base-Base interactions energy: -881.335
where: short stacking energy: -387.765
Base-Backbone interact. energy: 1.961
local terms energy: -483.499888
where:
bonds (distance) C4'-P energy: -110.400
bonds (distance) P-C4' energy: -114.512
flat angles C4'-P-C4' energy: -112.953
flat angles P-C4'-P energy: -67.775
tors. eta vs tors. theta energy: -77.860
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: 286
Temperature: 1.200000
Total energy: -1154.425338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.425338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.425338 (E_RNA)
where:
Base-Base interactions energy: -707.392
where: short stacking energy: -335.858
Base-Backbone interact. energy: 4.170
local terms energy: -451.203641
where:
bonds (distance) C4'-P energy: -97.096
bonds (distance) P-C4' energy: -110.913
flat angles C4'-P-C4' energy: -106.326
flat angles P-C4'-P energy: -70.984
tors. eta vs tors. theta energy: -65.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -917.087495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.087495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.087495 (E_RNA)
where:
Base-Base interactions energy: -513.964
where: short stacking energy: -264.961
Base-Backbone interact. energy: 0.436
local terms energy: -403.559658
where:
bonds (distance) C4'-P energy: -109.619
bonds (distance) P-C4' energy: -97.807
flat angles C4'-P-C4' energy: -95.704
flat angles P-C4'-P energy: -65.091
tors. eta vs tors. theta energy: -35.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -854.359922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.359922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.359922 (E_RNA)
where:
Base-Base interactions energy: -466.256
where: short stacking energy: -249.320
Base-Backbone interact. energy: 3.414
local terms energy: -391.517148
where:
bonds (distance) C4'-P energy: -94.097
bonds (distance) P-C4' energy: -110.892
flat angles C4'-P-C4' energy: -92.922
flat angles P-C4'-P energy: -53.086
tors. eta vs tors. theta energy: -40.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -476.244436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.244436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.244436 (E_RNA)
where:
Base-Base interactions energy: -167.978
where: short stacking energy: -151.765
Base-Backbone interact. energy: -1.621
local terms energy: -306.645926
where:
bonds (distance) C4'-P energy: -91.565
bonds (distance) P-C4' energy: -103.133
flat angles C4'-P-C4' energy: -79.735
flat angles P-C4'-P energy: -35.401
tors. eta vs tors. theta energy: 3.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -2100.168579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.168579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.168579 (E_RNA)
where:
Base-Base interactions energy: -1467.792
where: short stacking energy: -610.239
Base-Backbone interact. energy: -0.720
local terms energy: -631.656562
where:
bonds (distance) C4'-P energy: -116.331
bonds (distance) P-C4' energy: -109.773
flat angles C4'-P-C4' energy: -130.215
flat angles P-C4'-P energy: -86.411
tors. eta vs tors. theta energy: -188.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -2016.887771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.887771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.887771 (E_RNA)
where:
Base-Base interactions energy: -1394.065
where: short stacking energy: -564.225
Base-Backbone interact. energy: -3.503
local terms energy: -619.319234
where:
bonds (distance) C4'-P energy: -108.764
bonds (distance) P-C4' energy: -117.327
flat angles C4'-P-C4' energy: -136.734
flat angles P-C4'-P energy: -86.143
tors. eta vs tors. theta energy: -170.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -1941.453016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.453016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.453016 (E_RNA)
where:
Base-Base interactions energy: -1342.434
where: short stacking energy: -575.382
Base-Backbone interact. energy: 2.866
local terms energy: -601.884687
where:
bonds (distance) C4'-P energy: -95.926
bonds (distance) P-C4' energy: -107.173
flat angles C4'-P-C4' energy: -132.163
flat angles P-C4'-P energy: -100.439
tors. eta vs tors. theta energy: -166.184
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: 287
Temperature: 1.050000
Total energy: -1704.704404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.704404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.704404 (E_RNA)
where:
Base-Base interactions energy: -1176.837
where: short stacking energy: -482.605
Base-Backbone interact. energy: -1.965
local terms energy: -525.902233
where:
bonds (distance) C4'-P energy: -96.909
bonds (distance) P-C4' energy: -90.285
flat angles C4'-P-C4' energy: -124.046
flat angles P-C4'-P energy: -79.479
tors. eta vs tors. theta energy: -135.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -1692.737222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.737222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.737222 (E_RNA)
where:
Base-Base interactions energy: -1125.773
where: short stacking energy: -482.691
Base-Backbone interact. energy: 1.277
local terms energy: -568.241036
where:
bonds (distance) C4'-P energy: -102.197
bonds (distance) P-C4' energy: -124.508
flat angles C4'-P-C4' energy: -118.368
flat angles P-C4'-P energy: -88.661
tors. eta vs tors. theta energy: -134.507
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: 6, replica: 3
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1348.321348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.321348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.321348 (E_RNA)
where:
Base-Base interactions energy: -901.791
where: short stacking energy: -372.945
Base-Backbone interact. energy: -1.348
local terms energy: -445.182185
where:
bonds (distance) C4'-P energy: -90.022
bonds (distance) P-C4' energy: -103.737
flat angles C4'-P-C4' energy: -105.033
flat angles P-C4'-P energy: -64.555
tors. eta vs tors. theta energy: -81.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -1199.256740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.256740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.256740 (E_RNA)
where:
Base-Base interactions energy: -743.256
where: short stacking energy: -329.345
Base-Backbone interact. energy: -1.279
local terms energy: -454.721680
where:
bonds (distance) C4'-P energy: -102.534
bonds (distance) P-C4' energy: -109.627
flat angles C4'-P-C4' energy: -113.373
flat angles P-C4'-P energy: -57.180
tors. eta vs tors. theta energy: -72.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -931.331608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.331608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.331608 (E_RNA)
where:
Base-Base interactions energy: -523.677
where: short stacking energy: -266.506
Base-Backbone interact. energy: -1.206
local terms energy: -406.447683
where:
bonds (distance) C4'-P energy: -103.182
bonds (distance) P-C4' energy: -98.686
flat angles C4'-P-C4' energy: -97.352
flat angles P-C4'-P energy: -64.536
tors. eta vs tors. theta energy: -42.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -836.593527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.593527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.593527 (E_RNA)
where:
Base-Base interactions energy: -443.736
where: short stacking energy: -219.435
Base-Backbone interact. energy: 0.020
local terms energy: -392.877204
where:
bonds (distance) C4'-P energy: -94.341
bonds (distance) P-C4' energy: -105.511
flat angles C4'-P-C4' energy: -98.583
flat angles P-C4'-P energy: -69.543
tors. eta vs tors. theta energy: -24.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -443.824013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.824013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.824013 (E_RNA)
where:
Base-Base interactions energy: -132.871
where: short stacking energy: -126.347
Base-Backbone interact. energy: 0.418
local terms energy: -311.371366
where:
bonds (distance) C4'-P energy: -105.344
bonds (distance) P-C4' energy: -91.507
flat angles C4'-P-C4' energy: -100.596
flat angles P-C4'-P energy: -32.630
tors. eta vs tors. theta energy: 18.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -2109.192674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.192674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.192674 (E_RNA)
where:
Base-Base interactions energy: -1477.195
where: short stacking energy: -620.400
Base-Backbone interact. energy: -1.973
local terms energy: -630.024559
where:
bonds (distance) C4'-P energy: -106.276
bonds (distance) P-C4' energy: -116.472
flat angles C4'-P-C4' energy: -132.887
flat angles P-C4'-P energy: -88.336
tors. eta vs tors. theta energy: -186.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1990.094476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.094476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.094476 (E_RNA)
where:
Base-Base interactions energy: -1392.004
where: short stacking energy: -551.829
Base-Backbone interact. energy: 1.157
local terms energy: -599.247774
where:
bonds (distance) C4'-P energy: -103.812
bonds (distance) P-C4' energy: -106.059
flat angles C4'-P-C4' energy: -136.102
flat angles P-C4'-P energy: -88.024
tors. eta vs tors. theta energy: -165.251
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: 3, replica: 7
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -1963.638805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.638805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.638805 (E_RNA)
where:
Base-Base interactions energy: -1342.587
where: short stacking energy: -579.423
Base-Backbone interact. energy: -3.097
local terms energy: -617.954439
where:
bonds (distance) C4'-P energy: -106.997
bonds (distance) P-C4' energy: -118.848
flat angles C4'-P-C4' energy: -135.109
flat angles P-C4'-P energy: -87.390
tors. eta vs tors. theta energy: -169.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1731.229077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.229077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.229077 (E_RNA)
where:
Base-Base interactions energy: -1162.918
where: short stacking energy: -494.108
Base-Backbone interact. energy: -0.809
local terms energy: -567.501781
where:
bonds (distance) C4'-P energy: -100.936
bonds (distance) P-C4' energy: -116.231
flat angles C4'-P-C4' energy: -130.431
flat angles P-C4'-P energy: -76.980
tors. eta vs tors. theta energy: -142.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -1658.864972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.864972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.864972 (E_RNA)
where:
Base-Base interactions energy: -1120.401
where: short stacking energy: -496.482
Base-Backbone interact. energy: 0.385
local terms energy: -538.848768
where:
bonds (distance) C4'-P energy: -112.302
bonds (distance) P-C4' energy: -106.206
flat angles C4'-P-C4' energy: -113.111
flat angles P-C4'-P energy: -69.116
tors. eta vs tors. theta energy: -138.114
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: 3
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1417.105116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.105116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.105116 (E_RNA)
where:
Base-Base interactions energy: -953.792
where: short stacking energy: -420.028
Base-Backbone interact. energy: 0.211
local terms energy: -463.524012
where:
bonds (distance) C4'-P energy: -76.795
bonds (distance) P-C4' energy: -92.150
flat angles C4'-P-C4' energy: -125.751
flat angles P-C4'-P energy: -69.423
tors. eta vs tors. theta energy: -99.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -1187.152334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.152334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.152334 (E_RNA)
where:
Base-Base interactions energy: -744.763
where: short stacking energy: -335.238
Base-Backbone interact. energy: -0.040
local terms energy: -442.348841
where:
bonds (distance) C4'-P energy: -100.402
bonds (distance) P-C4' energy: -102.482
flat angles C4'-P-C4' energy: -92.857
flat angles P-C4'-P energy: -63.548
tors. eta vs tors. theta energy: -83.059
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: 8, replica: 5
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -913.522537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.522537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.522537 (E_RNA)
where:
Base-Base interactions energy: -508.985
where: short stacking energy: -246.672
Base-Backbone interact. energy: -2.228
local terms energy: -402.309211
where:
bonds (distance) C4'-P energy: -99.342
bonds (distance) P-C4' energy: -114.938
flat angles C4'-P-C4' energy: -94.310
flat angles P-C4'-P energy: -58.499
tors. eta vs tors. theta energy: -35.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -857.638328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.638328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.638328 (E_RNA)
where:
Base-Base interactions energy: -507.454
where: short stacking energy: -247.469
Base-Backbone interact. energy: 1.879
local terms energy: -352.062569
where:
bonds (distance) C4'-P energy: -92.437
bonds (distance) P-C4' energy: -94.704
flat angles C4'-P-C4' energy: -90.883
flat angles P-C4'-P energy: -44.784
tors. eta vs tors. theta energy: -29.253
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: 10, replica: 6
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -431.022131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.022131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.022131 (E_RNA)
where:
Base-Base interactions energy: -167.821
where: short stacking energy: -122.494
Base-Backbone interact. energy: 1.757
local terms energy: -264.958385
where:
bonds (distance) C4'-P energy: -80.667
bonds (distance) P-C4' energy: -80.003
flat angles C4'-P-C4' energy: -74.222
flat angles P-C4'-P energy: -42.088
tors. eta vs tors. theta energy: 12.022
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: 8
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -2135.631841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.631841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.631841 (E_RNA)
where:
Base-Base interactions energy: -1462.224
where: short stacking energy: -634.928
Base-Backbone interact. energy: -3.046
local terms energy: -670.362203
where:
bonds (distance) C4'-P energy: -115.648
bonds (distance) P-C4' energy: -113.082
flat angles C4'-P-C4' energy: -141.874
flat angles P-C4'-P energy: -106.974
tors. eta vs tors. theta energy: -192.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1994.954841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.954841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.954841 (E_RNA)
where:
Base-Base interactions energy: -1365.267
where: short stacking energy: -556.418
Base-Backbone interact. energy: -0.177
local terms energy: -629.510102
where:
bonds (distance) C4'-P energy: -111.219
bonds (distance) P-C4' energy: -120.912
flat angles C4'-P-C4' energy: -135.491
flat angles P-C4'-P energy: -92.799
tors. eta vs tors. theta energy: -169.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -1944.285275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.285275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.285275 (E_RNA)
where:
Base-Base interactions energy: -1333.863
where: short stacking energy: -531.747
Base-Backbone interact. energy: -3.237
local terms energy: -607.185720
where:
bonds (distance) C4'-P energy: -113.102
bonds (distance) P-C4' energy: -116.787
flat angles C4'-P-C4' energy: -136.234
flat angles P-C4'-P energy: -83.451
tors. eta vs tors. theta energy: -157.612
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: 289
Temperature: 1.050000
Total energy: -1744.864795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.864795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.864795 (E_RNA)
where:
Base-Base interactions energy: -1179.223
where: short stacking energy: -478.598
Base-Backbone interact. energy: -1.237
local terms energy: -564.404904
where:
bonds (distance) C4'-P energy: -109.922
bonds (distance) P-C4' energy: -114.415
flat angles C4'-P-C4' energy: -123.152
flat angles P-C4'-P energy: -78.488
tors. eta vs tors. theta energy: -138.428
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: 10
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -1634.996225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.996225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.996225 (E_RNA)
where:
Base-Base interactions energy: -1107.014
where: short stacking energy: -469.106
Base-Backbone interact. energy: -2.136
local terms energy: -525.846464
where:
bonds (distance) C4'-P energy: -100.620
bonds (distance) P-C4' energy: -112.492
flat angles C4'-P-C4' energy: -128.157
flat angles P-C4'-P energy: -58.192
tors. eta vs tors. theta energy: -126.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1401.467027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.467027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.467027 (E_RNA)
where:
Base-Base interactions energy: -909.790
where: short stacking energy: -434.520
Base-Backbone interact. energy: -0.065
local terms energy: -491.612523
where:
bonds (distance) C4'-P energy: -89.020
bonds (distance) P-C4' energy: -110.143
flat angles C4'-P-C4' energy: -113.207
flat angles P-C4'-P energy: -75.094
tors. eta vs tors. theta energy: -104.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -1209.008496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.008496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.008496 (E_RNA)
where:
Base-Base interactions energy: -773.957
where: short stacking energy: -351.074
Base-Backbone interact. energy: -4.371
local terms energy: -430.680172
where:
bonds (distance) C4'-P energy: -100.510
bonds (distance) P-C4' energy: -93.711
flat angles C4'-P-C4' energy: -89.410
flat angles P-C4'-P energy: -66.155
tors. eta vs tors. theta energy: -80.894
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: 2
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -884.227072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.227072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.227072 (E_RNA)
where:
Base-Base interactions energy: -495.137
where: short stacking energy: -254.988
Base-Backbone interact. energy: -1.221
local terms energy: -387.868966
where:
bonds (distance) C4'-P energy: -99.430
bonds (distance) P-C4' energy: -106.378
flat angles C4'-P-C4' energy: -99.268
flat angles P-C4'-P energy: -56.970
tors. eta vs tors. theta energy: -25.823
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: 5
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -860.226533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.226533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.226533 (E_RNA)
where:
Base-Base interactions energy: -487.907
where: short stacking energy: -215.894
Base-Backbone interact. energy: -1.428
local terms energy: -370.891399
where:
bonds (distance) C4'-P energy: -88.775
bonds (distance) P-C4' energy: -95.418
flat angles C4'-P-C4' energy: -93.184
flat angles P-C4'-P energy: -62.358
tors. eta vs tors. theta energy: -31.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -431.907271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.907271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.907271 (E_RNA)
where:
Base-Base interactions energy: -139.759
where: short stacking energy: -111.702
Base-Backbone interact. energy: -3.089
local terms energy: -289.059393
where:
bonds (distance) C4'-P energy: -92.045
bonds (distance) P-C4' energy: -100.526
flat angles C4'-P-C4' energy: -77.992
flat angles P-C4'-P energy: -54.601
tors. eta vs tors. theta energy: 36.103
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: 1, replica: 8
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -2112.522537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.522537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.522537 (E_RNA)
where:
Base-Base interactions energy: -1473.814
where: short stacking energy: -615.061
Base-Backbone interact. energy: -2.493
local terms energy: -636.215856
where:
bonds (distance) C4'-P energy: -110.682
bonds (distance) P-C4' energy: -119.246
flat angles C4'-P-C4' energy: -133.125
flat angles P-C4'-P energy: -95.033
tors. eta vs tors. theta energy: -178.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -2016.839868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.839868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.839868 (E_RNA)
where:
Base-Base interactions energy: -1398.496
where: short stacking energy: -572.011
Base-Backbone interact. energy: -3.418
local terms energy: -614.925934
where:
bonds (distance) C4'-P energy: -114.946
bonds (distance) P-C4' energy: -118.567
flat angles C4'-P-C4' energy: -114.719
flat angles P-C4'-P energy: -100.366
tors. eta vs tors. theta energy: -166.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1941.053491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.053491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.053491 (E_RNA)
where:
Base-Base interactions energy: -1338.117
where: short stacking energy: -535.022
Base-Backbone interact. energy: -2.826
local terms energy: -600.110626
where:
bonds (distance) C4'-P energy: -114.889
bonds (distance) P-C4' energy: -118.447
flat angles C4'-P-C4' energy: -125.444
flat angles P-C4'-P energy: -84.489
tors. eta vs tors. theta energy: -156.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -1715.585972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.585972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.585972 (E_RNA)
where:
Base-Base interactions energy: -1172.009
where: short stacking energy: -471.229
Base-Backbone interact. energy: -3.532
local terms energy: -540.045268
where:
bonds (distance) C4'-P energy: -106.062
bonds (distance) P-C4' energy: -105.071
flat angles C4'-P-C4' energy: -124.611
flat angles P-C4'-P energy: -61.972
tors. eta vs tors. theta energy: -142.330
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: 10
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -1614.485452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.485452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.485452 (E_RNA)
where:
Base-Base interactions energy: -1075.687
where: short stacking energy: -491.406
Base-Backbone interact. energy: -1.655
local terms energy: -537.143329
where:
bonds (distance) C4'-P energy: -111.677
bonds (distance) P-C4' energy: -91.824
flat angles C4'-P-C4' energy: -117.131
flat angles P-C4'-P energy: -85.401
tors. eta vs tors. theta energy: -131.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1410.087682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.087682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.087682 (E_RNA)
where:
Base-Base interactions energy: -920.786
where: short stacking energy: -422.522
Base-Backbone interact. energy: -3.673
local terms energy: -485.627957
where:
bonds (distance) C4'-P energy: -100.702
bonds (distance) P-C4' energy: -104.644
flat angles C4'-P-C4' energy: -117.341
flat angles P-C4'-P energy: -68.355
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: 7, replica: 1
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -1203.018934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.018934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.018934 (E_RNA)
where:
Base-Base interactions energy: -782.010
where: short stacking energy: -327.879
Base-Backbone interact. energy: 0.519
local terms energy: -421.528375
where:
bonds (distance) C4'-P energy: -84.514
bonds (distance) P-C4' energy: -108.492
flat angles C4'-P-C4' energy: -97.047
flat angles P-C4'-P energy: -62.577
tors. eta vs tors. theta energy: -68.897
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: 2
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -869.679720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.679720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.679720 (E_RNA)
where:
Base-Base interactions energy: -476.214
where: short stacking energy: -256.511
Base-Backbone interact. energy: 0.744
local terms energy: -394.209653
where:
bonds (distance) C4'-P energy: -88.856
bonds (distance) P-C4' energy: -108.391
flat angles C4'-P-C4' energy: -103.936
flat angles P-C4'-P energy: -47.311
tors. eta vs tors. theta energy: -45.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -805.052350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.052350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.052350 (E_RNA)
where:
Base-Base interactions energy: -426.621
where: short stacking energy: -205.782
Base-Backbone interact. energy: 3.071
local terms energy: -381.502807
where:
bonds (distance) C4'-P energy: -94.166
bonds (distance) P-C4' energy: -121.229
flat angles C4'-P-C4' energy: -102.025
flat angles P-C4'-P energy: -55.691
tors. eta vs tors. theta energy: -8.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -504.100697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.100697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.100697 (E_RNA)
where:
Base-Base interactions energy: -216.053
where: short stacking energy: -141.380
Base-Backbone interact. energy: -1.050
local terms energy: -286.997187
where:
bonds (distance) C4'-P energy: -88.054
bonds (distance) P-C4' energy: -83.139
flat angles C4'-P-C4' energy: -80.996
flat angles P-C4'-P energy: -47.562
tors. eta vs tors. theta energy: 12.753
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: 8
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -2129.062335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.062335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.062335 (E_RNA)
where:
Base-Base interactions energy: -1479.873
where: short stacking energy: -630.765
Base-Backbone interact. energy: 0.167
local terms energy: -649.356451
where:
bonds (distance) C4'-P energy: -110.701
bonds (distance) P-C4' energy: -111.421
flat angles C4'-P-C4' energy: -140.016
flat angles P-C4'-P energy: -95.572
tors. eta vs tors. theta energy: -191.646
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: 291
Temperature: 0.950000
Total energy: -2029.778693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.778693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.778693 (E_RNA)
where:
Base-Base interactions energy: -1418.952
where: short stacking energy: -607.807
Base-Backbone interact. energy: 0.758
local terms energy: -611.584416
where:
bonds (distance) C4'-P energy: -115.272
bonds (distance) P-C4' energy: -109.052
flat angles C4'-P-C4' energy: -133.031
flat angles P-C4'-P energy: -78.512
tors. eta vs tors. theta energy: -175.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1935.600196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.600196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.600196 (E_RNA)
where:
Base-Base interactions energy: -1346.334
where: short stacking energy: -533.609
Base-Backbone interact. energy: -5.154
local terms energy: -584.111796
where:
bonds (distance) C4'-P energy: -97.873
bonds (distance) P-C4' energy: -100.653
flat angles C4'-P-C4' energy: -138.026
flat angles P-C4'-P energy: -83.662
tors. eta vs tors. theta energy: -163.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -1718.557000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.557000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.557000 (E_RNA)
where:
Base-Base interactions energy: -1168.504
where: short stacking energy: -482.286
Base-Backbone interact. energy: 2.411
local terms energy: -552.463998
where:
bonds (distance) C4'-P energy: -111.506
bonds (distance) P-C4' energy: -117.292
flat angles C4'-P-C4' energy: -111.466
flat angles P-C4'-P energy: -78.446
tors. eta vs tors. theta energy: -133.754
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: 10
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1673.277989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.277989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.277989 (E_RNA)
where:
Base-Base interactions energy: -1127.853
where: short stacking energy: -514.666
Base-Backbone interact. energy: -0.636
local terms energy: -544.788894
where:
bonds (distance) C4'-P energy: -104.219
bonds (distance) P-C4' energy: -113.722
flat angles C4'-P-C4' energy: -118.525
flat angles P-C4'-P energy: -69.015
tors. eta vs tors. theta energy: -139.309
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: 3
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1397.548943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.548943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.548943 (E_RNA)
where:
Base-Base interactions energy: -929.167
where: short stacking energy: -402.866
Base-Backbone interact. energy: -1.459
local terms energy: -466.922239
where:
bonds (distance) C4'-P energy: -90.865
bonds (distance) P-C4' energy: -81.619
flat angles C4'-P-C4' energy: -116.644
flat angles P-C4'-P energy: -74.783
tors. eta vs tors. theta energy: -103.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1216.111201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.111201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.111201 (E_RNA)
where:
Base-Base interactions energy: -775.549
where: short stacking energy: -338.770
Base-Backbone interact. energy: -1.299
local terms energy: -439.262360
where:
bonds (distance) C4'-P energy: -108.941
bonds (distance) P-C4' energy: -98.536
flat angles C4'-P-C4' energy: -91.376
flat angles P-C4'-P energy: -51.035
tors. eta vs tors. theta energy: -89.375
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: 5
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -846.000125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.000125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.000125 (E_RNA)
where:
Base-Base interactions energy: -440.579
where: short stacking energy: -226.456
Base-Backbone interact. energy: -1.673
local terms energy: -403.748346
where:
bonds (distance) C4'-P energy: -103.107
bonds (distance) P-C4' energy: -98.148
flat angles C4'-P-C4' energy: -100.159
flat angles P-C4'-P energy: -71.464
tors. eta vs tors. theta energy: -30.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -824.212468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.212468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.212468 (E_RNA)
where:
Base-Base interactions energy: -455.563
where: short stacking energy: -217.358
Base-Backbone interact. energy: -1.959
local terms energy: -366.690651
where:
bonds (distance) C4'-P energy: -98.649
bonds (distance) P-C4' energy: -106.724
flat angles C4'-P-C4' energy: -86.261
flat angles P-C4'-P energy: -54.989
tors. eta vs tors. theta energy: -20.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -526.747323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.747323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.747323 (E_RNA)
where:
Base-Base interactions energy: -227.002
where: short stacking energy: -143.801
Base-Backbone interact. energy: 1.372
local terms energy: -301.116627
where:
bonds (distance) C4'-P energy: -99.564
bonds (distance) P-C4' energy: -91.812
flat angles C4'-P-C4' energy: -85.063
flat angles P-C4'-P energy: -41.622
tors. eta vs tors. theta energy: 16.945
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: 8
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -2125.964795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.964795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.964795 (E_RNA)
where:
Base-Base interactions energy: -1486.864
where: short stacking energy: -635.782
Base-Backbone interact. energy: -1.953
local terms energy: -637.147068
where:
bonds (distance) C4'-P energy: -113.306
bonds (distance) P-C4' energy: -123.247
flat angles C4'-P-C4' energy: -129.460
flat angles P-C4'-P energy: -76.101
tors. eta vs tors. theta energy: -195.033
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: 2, replica: 7
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -2033.692009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.692009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.692009 (E_RNA)
where:
Base-Base interactions energy: -1395.712
where: short stacking energy: -586.487
Base-Backbone interact. energy: -2.123
local terms energy: -635.856652
where:
bonds (distance) C4'-P energy: -112.028
bonds (distance) P-C4' energy: -118.736
flat angles C4'-P-C4' energy: -134.120
flat angles P-C4'-P energy: -102.647
tors. eta vs tors. theta energy: -168.327
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: 9
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -1915.238537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.238537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.238537 (E_RNA)
where:
Base-Base interactions energy: -1330.235
where: short stacking energy: -533.471
Base-Backbone interact. energy: -5.170
local terms energy: -579.833728
where:
bonds (distance) C4'-P energy: -100.768
bonds (distance) P-C4' energy: -119.191
flat angles C4'-P-C4' energy: -118.978
flat angles P-C4'-P energy: -85.085
tors. eta vs tors. theta energy: -155.812
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: 4
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -1707.736051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.736051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.736051 (E_RNA)
where:
Base-Base interactions energy: -1166.497
where: short stacking energy: -462.439
Base-Backbone interact. energy: -6.254
local terms energy: -534.985410
where:
bonds (distance) C4'-P energy: -100.267
bonds (distance) P-C4' energy: -103.268
flat angles C4'-P-C4' energy: -113.933
flat angles P-C4'-P energy: -82.860
tors. eta vs tors. theta energy: -134.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -1668.657907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.657907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.657907 (E_RNA)
where:
Base-Base interactions energy: -1132.178
where: short stacking energy: -487.885
Base-Backbone interact. energy: -1.606
local terms energy: -534.873873
where:
bonds (distance) C4'-P energy: -104.363
bonds (distance) P-C4' energy: -113.343
flat angles C4'-P-C4' energy: -112.206
flat angles P-C4'-P energy: -66.720
tors. eta vs tors. theta energy: -138.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -1403.027785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.027785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.027785 (E_RNA)
where:
Base-Base interactions energy: -922.283
where: short stacking energy: -395.285
Base-Backbone interact. energy: 1.624
local terms energy: -482.368876
where:
bonds (distance) C4'-P energy: -103.459
bonds (distance) P-C4' energy: -92.117
flat angles C4'-P-C4' energy: -122.463
flat angles P-C4'-P energy: -69.946
tors. eta vs tors. theta energy: -94.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1177.286979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.286979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.286979 (E_RNA)
where:
Base-Base interactions energy: -710.620
where: short stacking energy: -335.000
Base-Backbone interact. energy: -1.171
local terms energy: -465.495859
where:
bonds (distance) C4'-P energy: -103.698
bonds (distance) P-C4' energy: -110.079
flat angles C4'-P-C4' energy: -107.977
flat angles P-C4'-P energy: -61.346
tors. eta vs tors. theta energy: -82.396
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: 292
Temperature: 1.250000
Total energy: -880.281204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.281204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.281204 (E_RNA)
where:
Base-Base interactions energy: -507.384
where: short stacking energy: -239.811
Base-Backbone interact. energy: 4.233
local terms energy: -377.130230
where:
bonds (distance) C4'-P energy: -98.238
bonds (distance) P-C4' energy: -109.815
flat angles C4'-P-C4' energy: -90.879
flat angles P-C4'-P energy: -47.385
tors. eta vs tors. theta energy: -30.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -806.960776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.960776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.960776 (E_RNA)
where:
Base-Base interactions energy: -458.891
where: short stacking energy: -222.135
Base-Backbone interact. energy: -0.943
local terms energy: -347.127254
where:
bonds (distance) C4'-P energy: -108.146
bonds (distance) P-C4' energy: -94.217
flat angles C4'-P-C4' energy: -93.482
flat angles P-C4'-P energy: -16.887
tors. eta vs tors. theta energy: -34.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -538.931441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.931441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.931441 (E_RNA)
where:
Base-Base interactions energy: -246.366
where: short stacking energy: -149.270
Base-Backbone interact. energy: 1.594
local terms energy: -294.159321
where:
bonds (distance) C4'-P energy: -76.541
bonds (distance) P-C4' energy: -102.369
flat angles C4'-P-C4' energy: -91.601
flat angles P-C4'-P energy: -51.204
tors. eta vs tors. theta energy: 27.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -2133.121104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.121104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.121104 (E_RNA)
where:
Base-Base interactions energy: -1482.567
where: short stacking energy: -625.421
Base-Backbone interact. energy: -2.671
local terms energy: -647.883657
where:
bonds (distance) C4'-P energy: -106.565
bonds (distance) P-C4' energy: -119.424
flat angles C4'-P-C4' energy: -133.176
flat angles P-C4'-P energy: -87.386
tors. eta vs tors. theta energy: -201.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1983.308920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.308920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.308920 (E_RNA)
where:
Base-Base interactions energy: -1336.382
where: short stacking energy: -548.472
Base-Backbone interact. energy: -3.948
local terms energy: -642.978971
where:
bonds (distance) C4'-P energy: -116.615
bonds (distance) P-C4' energy: -124.369
flat angles C4'-P-C4' energy: -135.415
flat angles P-C4'-P energy: -98.296
tors. eta vs tors. theta energy: -168.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -1917.119101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.119101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.119101 (E_RNA)
where:
Base-Base interactions energy: -1325.578
where: short stacking energy: -522.500
Base-Backbone interact. energy: -2.960
local terms energy: -588.580624
where:
bonds (distance) C4'-P energy: -120.425
bonds (distance) P-C4' energy: -108.279
flat angles C4'-P-C4' energy: -131.245
flat angles P-C4'-P energy: -78.333
tors. eta vs tors. theta energy: -150.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -1777.217095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.217095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.217095 (E_RNA)
where:
Base-Base interactions energy: -1184.162
where: short stacking energy: -508.139
Base-Backbone interact. energy: 0.045
local terms energy: -593.100325
where:
bonds (distance) C4'-P energy: -105.721
bonds (distance) P-C4' energy: -119.597
flat angles C4'-P-C4' energy: -134.715
flat angles P-C4'-P energy: -90.049
tors. eta vs tors. theta energy: -143.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -1657.381660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.381660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.381660 (E_RNA)
where:
Base-Base interactions energy: -1112.852
where: short stacking energy: -457.782
Base-Backbone interact. energy: -0.717
local terms energy: -543.812430
where:
bonds (distance) C4'-P energy: -105.215
bonds (distance) P-C4' energy: -102.903
flat angles C4'-P-C4' energy: -122.204
flat angles P-C4'-P energy: -85.191
tors. eta vs tors. theta energy: -128.300
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: 6, replica: 3
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1484.409782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.409782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.409782 (E_RNA)
where:
Base-Base interactions energy: -987.839
where: short stacking energy: -421.929
Base-Backbone interact. energy: -4.368
local terms energy: -492.202656
where:
bonds (distance) C4'-P energy: -98.675
bonds (distance) P-C4' energy: -106.745
flat angles C4'-P-C4' energy: -103.943
flat angles P-C4'-P energy: -75.863
tors. eta vs tors. theta energy: -106.976
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: 1
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1110.483119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.483119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.483119 (E_RNA)
where:
Base-Base interactions energy: -671.604
where: short stacking energy: -301.871
Base-Backbone interact. energy: -1.479
local terms energy: -437.400216
where:
bonds (distance) C4'-P energy: -105.780
bonds (distance) P-C4' energy: -101.130
flat angles C4'-P-C4' energy: -99.808
flat angles P-C4'-P energy: -58.311
tors. eta vs tors. theta energy: -72.371
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: 293
Temperature: 1.250000
Total energy: -900.679248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.679248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.679248 (E_RNA)
where:
Base-Base interactions energy: -491.170
where: short stacking energy: -240.861
Base-Backbone interact. energy: -2.250
local terms energy: -407.259655
where:
bonds (distance) C4'-P energy: -113.084
bonds (distance) P-C4' energy: -103.304
flat angles C4'-P-C4' energy: -90.426
flat angles P-C4'-P energy: -66.534
tors. eta vs tors. theta energy: -33.911
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: 2
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -748.697919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.697919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.697919 (E_RNA)
where:
Base-Base interactions energy: -410.522
where: short stacking energy: -227.191
Base-Backbone interact. energy: 8.645
local terms energy: -346.821097
where:
bonds (distance) C4'-P energy: -75.916
bonds (distance) P-C4' energy: -100.382
flat angles C4'-P-C4' energy: -96.537
flat angles P-C4'-P energy: -42.699
tors. eta vs tors. theta energy: -31.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -576.954835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.954835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.954835 (E_RNA)
where:
Base-Base interactions energy: -258.264
where: short stacking energy: -151.982
Base-Backbone interact. energy: -2.123
local terms energy: -316.567773
where:
bonds (distance) C4'-P energy: -113.336
bonds (distance) P-C4' energy: -107.217
flat angles C4'-P-C4' energy: -75.471
flat angles P-C4'-P energy: -41.321
tors. eta vs tors. theta energy: 20.777
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: 1, replica: 8
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -2130.647115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.647115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.647115 (E_RNA)
where:
Base-Base interactions energy: -1472.074
where: short stacking energy: -609.646
Base-Backbone interact. energy: 1.577
local terms energy: -660.150294
where:
bonds (distance) C4'-P energy: -113.646
bonds (distance) P-C4' energy: -125.910
flat angles C4'-P-C4' energy: -137.346
flat angles P-C4'-P energy: -92.150
tors. eta vs tors. theta energy: -191.097
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: 7
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1991.340789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.340789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.340789 (E_RNA)
where:
Base-Base interactions energy: -1376.454
where: short stacking energy: -572.259
Base-Backbone interact. energy: -3.564
local terms energy: -611.322487
where:
bonds (distance) C4'-P energy: -118.389
bonds (distance) P-C4' energy: -102.405
flat angles C4'-P-C4' energy: -127.180
flat angles P-C4'-P energy: -94.567
tors. eta vs tors. theta energy: -168.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -1901.997801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.997801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.997801 (E_RNA)
where:
Base-Base interactions energy: -1301.062
where: short stacking energy: -535.172
Base-Backbone interact. energy: -4.208
local terms energy: -596.728061
where:
bonds (distance) C4'-P energy: -107.402
bonds (distance) P-C4' energy: -110.033
flat angles C4'-P-C4' energy: -127.066
flat angles P-C4'-P energy: -101.046
tors. eta vs tors. theta energy: -151.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -1729.668217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.668217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.668217 (E_RNA)
where:
Base-Base interactions energy: -1171.569
where: short stacking energy: -491.000
Base-Backbone interact. energy: -2.649
local terms energy: -555.450722
where:
bonds (distance) C4'-P energy: -115.063
bonds (distance) P-C4' energy: -110.414
flat angles C4'-P-C4' energy: -110.182
flat angles P-C4'-P energy: -77.412
tors. eta vs tors. theta energy: -142.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -1626.271365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.271365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.271365 (E_RNA)
where:
Base-Base interactions energy: -1084.303
where: short stacking energy: -457.200
Base-Backbone interact. energy: -3.248
local terms energy: -538.721050
where:
bonds (distance) C4'-P energy: -107.192
bonds (distance) P-C4' energy: -115.065
flat angles C4'-P-C4' energy: -112.871
flat angles P-C4'-P energy: -76.318
tors. eta vs tors. theta energy: -127.275
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: 6, replica: 3
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1437.677579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.677579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.677579 (E_RNA)
where:
Base-Base interactions energy: -942.040
where: short stacking energy: -386.249
Base-Backbone interact. energy: -0.245
local terms energy: -495.392981
where:
bonds (distance) C4'-P energy: -93.669
bonds (distance) P-C4' energy: -107.250
flat angles C4'-P-C4' energy: -110.759
flat angles P-C4'-P energy: -94.233
tors. eta vs tors. theta energy: -89.482
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: 1
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1172.127962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.127962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.127962 (E_RNA)
where:
Base-Base interactions energy: -741.195
where: short stacking energy: -338.844
Base-Backbone interact. energy: -1.060
local terms energy: -429.872547
where:
bonds (distance) C4'-P energy: -90.627
bonds (distance) P-C4' energy: -101.554
flat angles C4'-P-C4' energy: -111.528
flat angles P-C4'-P energy: -57.634
tors. eta vs tors. theta energy: -68.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -858.830425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.830425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.830425 (E_RNA)
where:
Base-Base interactions energy: -495.837
where: short stacking energy: -262.070
Base-Backbone interact. energy: 2.775
local terms energy: -365.767667
where:
bonds (distance) C4'-P energy: -81.493
bonds (distance) P-C4' energy: -102.840
flat angles C4'-P-C4' energy: -98.675
flat angles P-C4'-P energy: -46.831
tors. eta vs tors. theta energy: -35.929
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: 9, replica: 2
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -728.966363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.966363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.966363 (E_RNA)
where:
Base-Base interactions energy: -392.435
where: short stacking energy: -217.644
Base-Backbone interact. energy: 5.817
local terms energy: -342.348096
where:
bonds (distance) C4'-P energy: -91.444
bonds (distance) P-C4' energy: -98.031
flat angles C4'-P-C4' energy: -89.058
flat angles P-C4'-P energy: -41.289
tors. eta vs tors. theta energy: -22.526
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: 6
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -548.076749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.076749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.076749 (E_RNA)
where:
Base-Base interactions energy: -220.693
where: short stacking energy: -139.167
Base-Backbone interact. energy: 1.995
local terms energy: -329.378705
where:
bonds (distance) C4'-P energy: -108.337
bonds (distance) P-C4' energy: -95.693
flat angles C4'-P-C4' energy: -89.957
flat angles P-C4'-P energy: -54.136
tors. eta vs tors. theta energy: 18.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -2122.506219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.506219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.506219 (E_RNA)
where:
Base-Base interactions energy: -1467.823
where: short stacking energy: -621.674
Base-Backbone interact. energy: -2.677
local terms energy: -652.005684
where:
bonds (distance) C4'-P energy: -119.261
bonds (distance) P-C4' energy: -124.804
flat angles C4'-P-C4' energy: -133.945
flat angles P-C4'-P energy: -88.654
tors. eta vs tors. theta energy: -185.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -2004.390049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.390049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.390049 (E_RNA)
where:
Base-Base interactions energy: -1357.344
where: short stacking energy: -581.345
Base-Backbone interact. energy: -2.123
local terms energy: -644.923205
where:
bonds (distance) C4'-P energy: -133.720
bonds (distance) P-C4' energy: -115.685
flat angles C4'-P-C4' energy: -134.664
flat angles P-C4'-P energy: -88.517
tors. eta vs tors. theta energy: -172.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -1905.998301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.998301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.998301 (E_RNA)
where:
Base-Base interactions energy: -1315.298
where: short stacking energy: -548.820
Base-Backbone interact. energy: -4.167
local terms energy: -586.532937
where:
bonds (distance) C4'-P energy: -110.783
bonds (distance) P-C4' energy: -103.942
flat angles C4'-P-C4' energy: -119.686
flat angles P-C4'-P energy: -87.069
tors. eta vs tors. theta energy: -165.053
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: 4
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -1725.042994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.042994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.042994 (E_RNA)
where:
Base-Base interactions energy: -1155.893
where: short stacking energy: -499.156
Base-Backbone interact. energy: 0.640
local terms energy: -569.789771
where:
bonds (distance) C4'-P energy: -103.598
bonds (distance) P-C4' energy: -111.393
flat angles C4'-P-C4' energy: -130.816
flat angles P-C4'-P energy: -86.227
tors. eta vs tors. theta energy: -137.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -1660.677556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.677556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.677556 (E_RNA)
where:
Base-Base interactions energy: -1122.487
where: short stacking energy: -478.764
Base-Backbone interact. energy: -2.240
local terms energy: -535.950669
where:
bonds (distance) C4'-P energy: -105.254
bonds (distance) P-C4' energy: -106.197
flat angles C4'-P-C4' energy: -116.287
flat angles P-C4'-P energy: -70.462
tors. eta vs tors. theta energy: -137.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1462.264504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.264504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.264504 (E_RNA)
where:
Base-Base interactions energy: -955.073
where: short stacking energy: -414.228
Base-Backbone interact. energy: -3.056
local terms energy: -504.134942
where:
bonds (distance) C4'-P energy: -100.263
bonds (distance) P-C4' energy: -99.628
flat angles C4'-P-C4' energy: -113.666
flat angles P-C4'-P energy: -77.412
tors. eta vs tors. theta energy: -113.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1147.637074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.637074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.637074 (E_RNA)
where:
Base-Base interactions energy: -699.683
where: short stacking energy: -318.761
Base-Backbone interact. energy: 1.301
local terms energy: -449.255329
where:
bonds (distance) C4'-P energy: -97.068
bonds (distance) P-C4' energy: -124.583
flat angles C4'-P-C4' energy: -96.090
flat angles P-C4'-P energy: -59.022
tors. eta vs tors. theta energy: -72.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -854.809483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.809483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.809483 (E_RNA)
where:
Base-Base interactions energy: -460.619
where: short stacking energy: -243.220
Base-Backbone interact. energy: -1.424
local terms energy: -392.766706
where:
bonds (distance) C4'-P energy: -102.526
bonds (distance) P-C4' energy: -109.990
flat angles C4'-P-C4' energy: -84.494
flat angles P-C4'-P energy: -63.806
tors. eta vs tors. theta energy: -31.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -810.628777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.628777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.628777 (E_RNA)
where:
Base-Base interactions energy: -453.941
where: short stacking energy: -223.809
Base-Backbone interact. energy: -1.542
local terms energy: -355.146138
where:
bonds (distance) C4'-P energy: -95.415
bonds (distance) P-C4' energy: -86.386
flat angles C4'-P-C4' energy: -104.780
flat angles P-C4'-P energy: -51.532
tors. eta vs tors. theta energy: -17.033
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: 6
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -507.743083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.743083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.743083 (E_RNA)
where:
Base-Base interactions energy: -189.600
where: short stacking energy: -149.825
Base-Backbone interact. energy: -0.588
local terms energy: -317.555472
where:
bonds (distance) C4'-P energy: -107.135
bonds (distance) P-C4' energy: -100.721
flat angles C4'-P-C4' energy: -74.352
flat angles P-C4'-P energy: -51.663
tors. eta vs tors. theta energy: 16.316
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: 8
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -2104.110247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.110247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.110247 (E_RNA)
where:
Base-Base interactions energy: -1465.456
where: short stacking energy: -631.474
Base-Backbone interact. energy: -0.983
local terms energy: -637.671662
where:
bonds (distance) C4'-P energy: -111.965
bonds (distance) P-C4' energy: -113.535
flat angles C4'-P-C4' energy: -132.044
flat angles P-C4'-P energy: -86.551
tors. eta vs tors. theta energy: -193.578
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: 7
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1996.677680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.677680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.677680 (E_RNA)
where:
Base-Base interactions energy: -1389.872
where: short stacking energy: -568.333
Base-Backbone interact. energy: -2.176
local terms energy: -604.628817
where:
bonds (distance) C4'-P energy: -108.601
bonds (distance) P-C4' energy: -109.902
flat angles C4'-P-C4' energy: -139.980
flat angles P-C4'-P energy: -73.749
tors. eta vs tors. theta energy: -172.396
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: 9
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1909.429694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.429694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.429694 (E_RNA)
where:
Base-Base interactions energy: -1338.715
where: short stacking energy: -560.285
Base-Backbone interact. energy: -4.080
local terms energy: -566.635208
where:
bonds (distance) C4'-P energy: -94.086
bonds (distance) P-C4' energy: -116.652
flat angles C4'-P-C4' energy: -118.392
flat angles P-C4'-P energy: -76.737
tors. eta vs tors. theta energy: -160.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -1735.107009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.107009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.107009 (E_RNA)
where:
Base-Base interactions energy: -1172.553
where: short stacking energy: -513.662
Base-Backbone interact. energy: -2.123
local terms energy: -560.431267
where:
bonds (distance) C4'-P energy: -112.295
bonds (distance) P-C4' energy: -116.776
flat angles C4'-P-C4' energy: -124.890
flat angles P-C4'-P energy: -65.390
tors. eta vs tors. theta energy: -141.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -1643.409867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.409867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.409867 (E_RNA)
where:
Base-Base interactions energy: -1122.738
where: short stacking energy: -497.383
Base-Backbone interact. energy: 0.007
local terms energy: -520.679130
where:
bonds (distance) C4'-P energy: -101.903
bonds (distance) P-C4' energy: -123.829
flat angles C4'-P-C4' energy: -115.207
flat angles P-C4'-P energy: -59.038
tors. eta vs tors. theta energy: -120.702
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: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -1399.002382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.002382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.002382 (E_RNA)
where:
Base-Base interactions energy: -916.149
where: short stacking energy: -403.809
Base-Backbone interact. energy: -2.223
local terms energy: -480.629877
where:
bonds (distance) C4'-P energy: -97.005
bonds (distance) P-C4' energy: -105.892
flat angles C4'-P-C4' energy: -110.704
flat angles P-C4'-P energy: -73.804
tors. eta vs tors. theta energy: -93.225
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: 1
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1084.234656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.234656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.234656 (E_RNA)
where:
Base-Base interactions energy: -653.920
where: short stacking energy: -301.741
Base-Backbone interact. energy: -3.196
local terms energy: -427.118663
where:
bonds (distance) C4'-P energy: -95.472
bonds (distance) P-C4' energy: -100.315
flat angles C4'-P-C4' energy: -109.336
flat angles P-C4'-P energy: -70.984
tors. eta vs tors. theta energy: -51.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -914.913410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.913410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.913410 (E_RNA)
where:
Base-Base interactions energy: -496.282
where: short stacking energy: -237.143
Base-Backbone interact. energy: -3.057
local terms energy: -415.573592
where:
bonds (distance) C4'-P energy: -100.366
bonds (distance) P-C4' energy: -119.483
flat angles C4'-P-C4' energy: -95.649
flat angles P-C4'-P energy: -63.263
tors. eta vs tors. theta energy: -36.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -839.205161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.205161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.205161 (E_RNA)
where:
Base-Base interactions energy: -470.867
where: short stacking energy: -254.058
Base-Backbone interact. energy: -1.912
local terms energy: -366.425823
where:
bonds (distance) C4'-P energy: -99.874
bonds (distance) P-C4' energy: -89.567
flat angles C4'-P-C4' energy: -79.468
flat angles P-C4'-P energy: -57.652
tors. eta vs tors. theta energy: -39.865
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: 10, replica: 6
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -476.826961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.826961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.826961 (E_RNA)
where:
Base-Base interactions energy: -170.685
where: short stacking energy: -153.400
Base-Backbone interact. energy: 0.718
local terms energy: -306.859832
where:
bonds (distance) C4'-P energy: -97.335
bonds (distance) P-C4' energy: -96.770
flat angles C4'-P-C4' energy: -72.887
flat angles P-C4'-P energy: -44.906
tors. eta vs tors. theta energy: 5.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -2105.674485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.674485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.674485 (E_RNA)
where:
Base-Base interactions energy: -1469.376
where: short stacking energy: -613.915
Base-Backbone interact. energy: -4.574
local terms energy: -631.724333
where:
bonds (distance) C4'-P energy: -113.065
bonds (distance) P-C4' energy: -112.218
flat angles C4'-P-C4' energy: -137.998
flat angles P-C4'-P energy: -85.356
tors. eta vs tors. theta energy: -183.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1970.617353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.617353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.617353 (E_RNA)
where:
Base-Base interactions energy: -1361.028
where: short stacking energy: -585.540
Base-Backbone interact. energy: -1.233
local terms energy: -608.355575
where:
bonds (distance) C4'-P energy: -100.775
bonds (distance) P-C4' energy: -109.222
flat angles C4'-P-C4' energy: -136.654
flat angles P-C4'-P energy: -91.438
tors. eta vs tors. theta energy: -170.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1911.358391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.358391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.358391 (E_RNA)
where:
Base-Base interactions energy: -1315.091
where: short stacking energy: -541.409
Base-Backbone interact. energy: -2.751
local terms energy: -593.516431
where:
bonds (distance) C4'-P energy: -115.079
bonds (distance) P-C4' energy: -110.747
flat angles C4'-P-C4' energy: -119.189
flat angles P-C4'-P energy: -87.446
tors. eta vs tors. theta energy: -161.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -1705.801601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.801601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.801601 (E_RNA)
where:
Base-Base interactions energy: -1168.747
where: short stacking energy: -473.735
Base-Backbone interact. energy: 2.992
local terms energy: -540.046420
where:
bonds (distance) C4'-P energy: -99.371
bonds (distance) P-C4' energy: -119.850
flat angles C4'-P-C4' energy: -120.693
flat angles P-C4'-P energy: -67.659
tors. eta vs tors. theta energy: -132.473
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: 5, replica: 10
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -1691.349924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.349924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.349924 (E_RNA)
where:
Base-Base interactions energy: -1135.538
where: short stacking energy: -502.378
Base-Backbone interact. energy: -0.935
local terms energy: -554.877205
where:
bonds (distance) C4'-P energy: -109.036
bonds (distance) P-C4' energy: -110.540
flat angles C4'-P-C4' energy: -120.789
flat angles P-C4'-P energy: -75.716
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: 6, replica: 3
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1387.188691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.188691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.188691 (E_RNA)
where:
Base-Base interactions energy: -886.731
where: short stacking energy: -397.006
Base-Backbone interact. energy: -1.420
local terms energy: -499.037553
where:
bonds (distance) C4'-P energy: -100.394
bonds (distance) P-C4' energy: -107.809
flat angles C4'-P-C4' energy: -112.938
flat angles P-C4'-P energy: -69.666
tors. eta vs tors. theta energy: -108.230
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: 1
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -1132.532742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.532742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.532742 (E_RNA)
where:
Base-Base interactions energy: -716.034
where: short stacking energy: -304.601
Base-Backbone interact. energy: -1.273
local terms energy: -415.226030
where:
bonds (distance) C4'-P energy: -101.038
bonds (distance) P-C4' energy: -99.318
flat angles C4'-P-C4' energy: -86.374
flat angles P-C4'-P energy: -60.829
tors. eta vs tors. theta energy: -67.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -872.568632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.568632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.568632 (E_RNA)
where:
Base-Base interactions energy: -507.038
where: short stacking energy: -269.386
Base-Backbone interact. energy: -0.519
local terms energy: -365.011613
where:
bonds (distance) C4'-P energy: -74.569
bonds (distance) P-C4' energy: -109.927
flat angles C4'-P-C4' energy: -93.271
flat angles P-C4'-P energy: -47.576
tors. eta vs tors. theta energy: -39.668
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: 9, replica: 5
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -828.274839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.274839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.274839 (E_RNA)
where:
Base-Base interactions energy: -436.704
where: short stacking energy: -223.875
Base-Backbone interact. energy: -0.583
local terms energy: -390.987997
where:
bonds (distance) C4'-P energy: -89.539
bonds (distance) P-C4' energy: -112.528
flat angles C4'-P-C4' energy: -96.183
flat angles P-C4'-P energy: -72.357
tors. eta vs tors. theta energy: -20.381
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: 10, replica: 6
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -451.657033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.657033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.657033 (E_RNA)
where:
Base-Base interactions energy: -146.147
where: short stacking energy: -129.958
Base-Backbone interact. energy: 2.013
local terms energy: -307.522289
where:
bonds (distance) C4'-P energy: -103.458
bonds (distance) P-C4' energy: -101.299
flat angles C4'-P-C4' energy: -75.662
flat angles P-C4'-P energy: -39.634
tors. eta vs tors. theta energy: 12.530
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: 1, replica: 8
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -2127.162693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.162693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.162693 (E_RNA)
where:
Base-Base interactions energy: -1465.688
where: short stacking energy: -631.899
Base-Backbone interact. energy: -1.339
local terms energy: -660.135917
where:
bonds (distance) C4'-P energy: -107.012
bonds (distance) P-C4' energy: -132.445
flat angles C4'-P-C4' energy: -132.151
flat angles P-C4'-P energy: -94.193
tors. eta vs tors. theta energy: -194.334
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: 2, replica: 9
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1966.974894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.974894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.974894 (E_RNA)
where:
Base-Base interactions energy: -1338.013
where: short stacking energy: -585.170
Base-Backbone interact. energy: -4.931
local terms energy: -624.030564
where:
bonds (distance) C4'-P energy: -119.692
bonds (distance) P-C4' energy: -118.956
flat angles C4'-P-C4' energy: -124.735
flat angles P-C4'-P energy: -85.550
tors. eta vs tors. theta energy: -175.097
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: 298
Temperature: 1.000000
Total energy: -1954.476868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.476868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.476868 (E_RNA)
where:
Base-Base interactions energy: -1329.575
where: short stacking energy: -563.851
Base-Backbone interact. energy: -3.822
local terms energy: -621.080115
where:
bonds (distance) C4'-P energy: -101.110
bonds (distance) P-C4' energy: -115.171
flat angles C4'-P-C4' energy: -145.374
flat angles P-C4'-P energy: -94.661
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: 4, replica: 4
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -1724.553669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.553669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.553669 (E_RNA)
where:
Base-Base interactions energy: -1162.132
where: short stacking energy: -485.105
Base-Backbone interact. energy: -3.633
local terms energy: -558.788614
where:
bonds (distance) C4'-P energy: -112.090
bonds (distance) P-C4' energy: -115.072
flat angles C4'-P-C4' energy: -126.637
flat angles P-C4'-P energy: -77.818
tors. eta vs tors. theta energy: -127.171
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: 10
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -1678.145328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.145328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.145328 (E_RNA)
where:
Base-Base interactions energy: -1137.152
where: short stacking energy: -490.448
Base-Backbone interact. energy: -3.242
local terms energy: -537.751747
where:
bonds (distance) C4'-P energy: -116.176
bonds (distance) P-C4' energy: -92.894
flat angles C4'-P-C4' energy: -112.992
flat angles P-C4'-P energy: -73.674
tors. eta vs tors. theta energy: -142.015
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: 3
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1364.772735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.772735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.772735 (E_RNA)
where:
Base-Base interactions energy: -885.811
where: short stacking energy: -393.766
Base-Backbone interact. energy: -2.790
local terms energy: -476.171736
where:
bonds (distance) C4'-P energy: -84.360
bonds (distance) P-C4' energy: -111.316
flat angles C4'-P-C4' energy: -103.770
flat angles P-C4'-P energy: -71.273
tors. eta vs tors. theta energy: -105.452
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: 1
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -1122.294753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.294753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.294753 (E_RNA)
where:
Base-Base interactions energy: -664.290
where: short stacking energy: -309.585
Base-Backbone interact. energy: -0.673
local terms energy: -457.332251
where:
bonds (distance) C4'-P energy: -101.088
bonds (distance) P-C4' energy: -121.063
flat angles C4'-P-C4' energy: -96.360
flat angles P-C4'-P energy: -67.808
tors. eta vs tors. theta energy: -71.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -827.262908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.262908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.262908 (E_RNA)
where:
Base-Base interactions energy: -459.200
where: short stacking energy: -223.284
Base-Backbone interact. energy: 2.380
local terms energy: -370.442104
where:
bonds (distance) C4'-P energy: -100.425
bonds (distance) P-C4' energy: -114.655
flat angles C4'-P-C4' energy: -74.676
flat angles P-C4'-P energy: -61.241
tors. eta vs tors. theta energy: -19.445
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: 298
Temperature: 1.300000
Total energy: -865.176206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.176206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.176206 (E_RNA)
where:
Base-Base interactions energy: -460.750
where: short stacking energy: -241.504
Base-Backbone interact. energy: -1.774
local terms energy: -402.651973
where:
bonds (distance) C4'-P energy: -112.483
bonds (distance) P-C4' energy: -103.058
flat angles C4'-P-C4' energy: -95.171
flat angles P-C4'-P energy: -60.012
tors. eta vs tors. theta energy: -31.928
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: 6
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -429.169379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.169379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.169379 (E_RNA)
where:
Base-Base interactions energy: -109.084
where: short stacking energy: -95.990
Base-Backbone interact. energy: 0.425
local terms energy: -320.510862
where:
bonds (distance) C4'-P energy: -94.208
bonds (distance) P-C4' energy: -102.492
flat angles C4'-P-C4' energy: -72.776
flat angles P-C4'-P energy: -60.719
tors. eta vs tors. theta energy: 9.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -2115.212348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.212348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.212348 (E_RNA)
where:
Base-Base interactions energy: -1458.124
where: short stacking energy: -614.638
Base-Backbone interact. energy: -1.753
local terms energy: -655.335645
where:
bonds (distance) C4'-P energy: -120.678
bonds (distance) P-C4' energy: -114.674
flat angles C4'-P-C4' energy: -131.709
flat angles P-C4'-P energy: -91.539
tors. eta vs tors. theta energy: -196.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1961.210586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.210586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.210586 (E_RNA)
where:
Base-Base interactions energy: -1375.977
where: short stacking energy: -547.169
Base-Backbone interact. energy: 2.472
local terms energy: -587.706182
where:
bonds (distance) C4'-P energy: -105.030
bonds (distance) P-C4' energy: -124.102
flat angles C4'-P-C4' energy: -122.961
flat angles P-C4'-P energy: -75.931
tors. eta vs tors. theta energy: -159.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1953.253346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.253346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.253346 (E_RNA)
where:
Base-Base interactions energy: -1344.399
where: short stacking energy: -562.892
Base-Backbone interact. energy: -1.925
local terms energy: -606.928963
where:
bonds (distance) C4'-P energy: -108.889
bonds (distance) P-C4' energy: -105.935
flat angles C4'-P-C4' energy: -133.974
flat angles P-C4'-P energy: -84.812
tors. eta vs tors. theta energy: -173.319
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: 4
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1719.004372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.004372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.004372 (E_RNA)
where:
Base-Base interactions energy: -1178.356
where: short stacking energy: -500.518
Base-Backbone interact. energy: -1.595
local terms energy: -539.053645
where:
bonds (distance) C4'-P energy: -104.880
bonds (distance) P-C4' energy: -102.058
flat angles C4'-P-C4' energy: -118.989
flat angles P-C4'-P energy: -70.081
tors. eta vs tors. theta energy: -143.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -1666.441643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.441643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.441643 (E_RNA)
where:
Base-Base interactions energy: -1139.674
where: short stacking energy: -474.664
Base-Backbone interact. energy: -2.338
local terms energy: -524.429757
where:
bonds (distance) C4'-P energy: -100.830
bonds (distance) P-C4' energy: -93.972
flat angles C4'-P-C4' energy: -118.935
flat angles P-C4'-P energy: -71.619
tors. eta vs tors. theta energy: -139.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -1358.201143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.201143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.201143 (E_RNA)
where:
Base-Base interactions energy: -909.122
where: short stacking energy: -389.866
Base-Backbone interact. energy: -1.187
local terms energy: -447.891812
where:
bonds (distance) C4'-P energy: -87.705
bonds (distance) P-C4' energy: -115.292
flat angles C4'-P-C4' energy: -96.418
flat angles P-C4'-P energy: -68.662
tors. eta vs tors. theta energy: -79.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1107.476941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.476941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.476941 (E_RNA)
where:
Base-Base interactions energy: -651.305
where: short stacking energy: -312.282
Base-Backbone interact. energy: -1.433
local terms energy: -454.738361
where:
bonds (distance) C4'-P energy: -88.644
bonds (distance) P-C4' energy: -114.634
flat angles C4'-P-C4' energy: -110.325
flat angles P-C4'-P energy: -68.147
tors. eta vs tors. theta energy: -72.989
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: 8, replica: 5
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -862.030768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.030768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.030768 (E_RNA)
where:
Base-Base interactions energy: -477.039
where: short stacking energy: -239.067
Base-Backbone interact. energy: -0.372
local terms energy: -384.619444
where:
bonds (distance) C4'-P energy: -90.672
bonds (distance) P-C4' energy: -98.587
flat angles C4'-P-C4' energy: -100.767
flat angles P-C4'-P energy: -62.002
tors. eta vs tors. theta energy: -32.590
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: 2
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -711.716215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.716215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.716215 (E_RNA)
where:
Base-Base interactions energy: -365.341
where: short stacking energy: -198.296
Base-Backbone interact. energy: 1.865
local terms energy: -348.239397
where:
bonds (distance) C4'-P energy: -95.651
bonds (distance) P-C4' energy: -96.388
flat angles C4'-P-C4' energy: -103.784
flat angles P-C4'-P energy: -46.008
tors. eta vs tors. theta energy: -6.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -440.562083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.562083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.562083 (E_RNA)
where:
Base-Base interactions energy: -148.705
where: short stacking energy: -99.728
Base-Backbone interact. energy: -2.812
local terms energy: -289.045659
where:
bonds (distance) C4'-P energy: -85.578
bonds (distance) P-C4' energy: -101.203
flat angles C4'-P-C4' energy: -79.723
flat angles P-C4'-P energy: -37.739
tors. eta vs tors. theta energy: 15.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -2123.237017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.237017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.237017 (E_RNA)
where:
Base-Base interactions energy: -1473.467
where: short stacking energy: -603.691
Base-Backbone interact. energy: -0.612
local terms energy: -649.157198
where:
bonds (distance) C4'-P energy: -119.209
bonds (distance) P-C4' energy: -120.274
flat angles C4'-P-C4' energy: -136.878
flat angles P-C4'-P energy: -87.707
tors. eta vs tors. theta energy: -185.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1965.395323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.395323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.395323 (E_RNA)
where:
Base-Base interactions energy: -1370.846
where: short stacking energy: -570.452
Base-Backbone interact. energy: -2.422
local terms energy: -592.127034
where:
bonds (distance) C4'-P energy: -99.543
bonds (distance) P-C4' energy: -107.164
flat angles C4'-P-C4' energy: -136.108
flat angles P-C4'-P energy: -70.921
tors. eta vs tors. theta energy: -178.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1955.251852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.251852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.251852 (E_RNA)
where:
Base-Base interactions energy: -1346.397
where: short stacking energy: -568.427
Base-Backbone interact. energy: -3.549
local terms energy: -605.306138
where:
bonds (distance) C4'-P energy: -109.185
bonds (distance) P-C4' energy: -116.309
flat angles C4'-P-C4' energy: -121.476
flat angles P-C4'-P energy: -84.719
tors. eta vs tors. theta energy: -173.616
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: 4, replica: 4
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -1706.488029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.488029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.488029 (E_RNA)
where:
Base-Base interactions energy: -1165.438
where: short stacking energy: -489.411
Base-Backbone interact. energy: 0.459
local terms energy: -541.508580
where:
bonds (distance) C4'-P energy: -109.007
bonds (distance) P-C4' energy: -111.980
flat angles C4'-P-C4' energy: -114.529
flat angles P-C4'-P energy: -85.279
tors. eta vs tors. theta energy: -120.714
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: 5, replica: 10
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1695.613061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.613061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.613061 (E_RNA)
where:
Base-Base interactions energy: -1150.187
where: short stacking energy: -492.001
Base-Backbone interact. energy: -1.544
local terms energy: -543.882065
where:
bonds (distance) C4'-P energy: -103.593
bonds (distance) P-C4' energy: -100.409
flat angles C4'-P-C4' energy: -104.262
flat angles P-C4'-P energy: -85.991
tors. eta vs tors. theta energy: -149.626
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: 3
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -1374.593507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.593507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.593507 (E_RNA)
where:
Base-Base interactions energy: -914.908
where: short stacking energy: -412.975
Base-Backbone interact. energy: 0.496
local terms energy: -460.181022
where:
bonds (distance) C4'-P energy: -101.045
bonds (distance) P-C4' energy: -101.264
flat angles C4'-P-C4' energy: -114.979
flat angles P-C4'-P energy: -46.857
tors. eta vs tors. theta energy: -96.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -1099.373732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.373732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.373732 (E_RNA)
where:
Base-Base interactions energy: -667.633
where: short stacking energy: -297.930
Base-Backbone interact. energy: -0.897
local terms energy: -430.843563
where:
bonds (distance) C4'-P energy: -88.321
bonds (distance) P-C4' energy: -102.853
flat angles C4'-P-C4' energy: -106.425
flat angles P-C4'-P energy: -58.765
tors. eta vs tors. theta energy: -74.480
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: 300
Temperature: 1.250000
Total energy: -858.723838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.723838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.723838 (E_RNA)
where:
Base-Base interactions energy: -453.359
where: short stacking energy: -220.332
Base-Backbone interact. energy: 1.205
local terms energy: -406.570123
where:
bonds (distance) C4'-P energy: -106.632
bonds (distance) P-C4' energy: -109.208
flat angles C4'-P-C4' energy: -101.419
flat angles P-C4'-P energy: -61.203
tors. eta vs tors. theta energy: -28.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -728.471293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.471293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.471293 (E_RNA)
where:
Base-Base interactions energy: -370.480
where: short stacking energy: -196.159
Base-Backbone interact. energy: 7.361
local terms energy: -365.352334
where:
bonds (distance) C4'-P energy: -109.025
bonds (distance) P-C4' energy: -101.238
flat angles C4'-P-C4' energy: -97.387
flat angles P-C4'-P energy: -55.742
tors. eta vs tors. theta energy: -1.960
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: 6
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -450.481341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.481341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.481341 (E_RNA)
where:
Base-Base interactions energy: -163.972
where: short stacking energy: -136.443
Base-Backbone interact. energy: -1.978
local terms energy: -284.531008
where:
bonds (distance) C4'-P energy: -84.718
bonds (distance) P-C4' energy: -108.110
flat angles C4'-P-C4' energy: -79.270
flat angles P-C4'-P energy: -37.068
tors. eta vs tors. theta energy: 24.635
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: 8
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -2127.689899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.689899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.689899 (E_RNA)
where:
Base-Base interactions energy: -1464.638
where: short stacking energy: -605.198
Base-Backbone interact. energy: -3.720
local terms energy: -659.331879
where:
bonds (distance) C4'-P energy: -121.899
bonds (distance) P-C4' energy: -123.645
flat angles C4'-P-C4' energy: -131.555
flat angles P-C4'-P energy: -89.981
tors. eta vs tors. theta energy: -192.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1988.433016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.433016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.433016 (E_RNA)
where:
Base-Base interactions energy: -1384.154
where: short stacking energy: -566.879
Base-Backbone interact. energy: -2.431
local terms energy: -601.847647
where:
bonds (distance) C4'-P energy: -119.706
bonds (distance) P-C4' energy: -101.948
flat angles C4'-P-C4' energy: -130.357
flat angles P-C4'-P energy: -82.561
tors. eta vs tors. theta energy: -167.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1939.712383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.712383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.712383 (E_RNA)
where:
Base-Base interactions energy: -1349.218
where: short stacking energy: -555.695
Base-Backbone interact. energy: -0.625
local terms energy: -589.869323
where:
bonds (distance) C4'-P energy: -98.801
bonds (distance) P-C4' energy: -121.411
flat angles C4'-P-C4' energy: -119.014
flat angles P-C4'-P energy: -82.027
tors. eta vs tors. theta energy: -168.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -1740.958250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.958250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.958250 (E_RNA)
where:
Base-Base interactions energy: -1190.715
where: short stacking energy: -524.734
Base-Backbone interact. energy: -0.080
local terms energy: -550.162865
where:
bonds (distance) C4'-P energy: -118.498
bonds (distance) P-C4' energy: -102.802
flat angles C4'-P-C4' energy: -120.331
flat angles P-C4'-P energy: -60.324
tors. eta vs tors. theta energy: -148.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1678.480369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.480369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.480369 (E_RNA)
where:
Base-Base interactions energy: -1139.922
where: short stacking energy: -488.697
Base-Backbone interact. energy: -2.556
local terms energy: -536.001991
where:
bonds (distance) C4'-P energy: -99.298
bonds (distance) P-C4' energy: -96.960
flat angles C4'-P-C4' energy: -119.901
flat angles P-C4'-P energy: -82.039
tors. eta vs tors. theta energy: -137.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -1442.973403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.973403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.973403 (E_RNA)
where:
Base-Base interactions energy: -967.172
where: short stacking energy: -410.491
Base-Backbone interact. energy: 2.815
local terms energy: -478.616742
where:
bonds (distance) C4'-P energy: -108.482
bonds (distance) P-C4' energy: -104.499
flat angles C4'-P-C4' energy: -107.389
flat angles P-C4'-P energy: -61.637
tors. eta vs tors. theta energy: -96.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1088.449403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.449403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.449403 (E_RNA)
where:
Base-Base interactions energy: -654.506
where: short stacking energy: -298.318
Base-Backbone interact. energy: -4.417
local terms energy: -429.526855
where:
bonds (distance) C4'-P energy: -93.981
bonds (distance) P-C4' energy: -114.660
flat angles C4'-P-C4' energy: -93.359
flat angles P-C4'-P energy: -66.143
tors. eta vs tors. theta energy: -61.384
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: 5
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -868.069317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.069317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.069317 (E_RNA)
where:
Base-Base interactions energy: -473.239
where: short stacking energy: -241.820
Base-Backbone interact. energy: 0.143
local terms energy: -394.973762
where:
bonds (distance) C4'-P energy: -92.028
bonds (distance) P-C4' energy: -111.294
flat angles C4'-P-C4' energy: -107.213
flat angles P-C4'-P energy: -53.485
tors. eta vs tors. theta energy: -30.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -766.996003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.996003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.996003 (E_RNA)
where:
Base-Base interactions energy: -407.518
where: short stacking energy: -228.807
Base-Backbone interact. energy: 3.335
local terms energy: -362.812775
where:
bonds (distance) C4'-P energy: -88.049
bonds (distance) P-C4' energy: -95.411
flat angles C4'-P-C4' energy: -99.074
flat angles P-C4'-P energy: -62.488
tors. eta vs tors. theta energy: -17.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -511.864172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.864172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.864172 (E_RNA)
where:
Base-Base interactions energy: -205.469
where: short stacking energy: -104.908
Base-Backbone interact. energy: -3.530
local terms energy: -302.865140
where:
bonds (distance) C4'-P energy: -85.348
bonds (distance) P-C4' energy: -92.410
flat angles C4'-P-C4' energy: -100.687
flat angles P-C4'-P energy: -56.420
tors. eta vs tors. theta energy: 31.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -2114.463540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.463540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.463540 (E_RNA)
where:
Base-Base interactions energy: -1456.678
where: short stacking energy: -632.717
Base-Backbone interact. energy: -1.159
local terms energy: -656.626327
where:
bonds (distance) C4'-P energy: -111.115
bonds (distance) P-C4' energy: -122.125
flat angles C4'-P-C4' energy: -129.167
flat angles P-C4'-P energy: -99.450
tors. eta vs tors. theta energy: -194.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -2013.456555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.456555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.456555 (E_RNA)
where:
Base-Base interactions energy: -1372.312
where: short stacking energy: -595.453
Base-Backbone interact. energy: -3.184
local terms energy: -637.960680
where:
bonds (distance) C4'-P energy: -112.650
bonds (distance) P-C4' energy: -117.238
flat angles C4'-P-C4' energy: -132.229
flat angles P-C4'-P energy: -96.336
tors. eta vs tors. theta energy: -179.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -1885.162665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.162665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.162665 (E_RNA)
where:
Base-Base interactions energy: -1309.043
where: short stacking energy: -524.437
Base-Backbone interact. energy: -0.818
local terms energy: -575.301975
where:
bonds (distance) C4'-P energy: -112.757
bonds (distance) P-C4' energy: -101.293
flat angles C4'-P-C4' energy: -118.870
flat angles P-C4'-P energy: -79.152
tors. eta vs tors. theta energy: -163.231
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: 4, replica: 10
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -1754.430465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.430465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.430465 (E_RNA)
where:
Base-Base interactions energy: -1180.635
where: short stacking energy: -518.781
Base-Backbone interact. energy: 0.312
local terms energy: -574.107327
where:
bonds (distance) C4'-P energy: -110.878
bonds (distance) P-C4' energy: -103.861
flat angles C4'-P-C4' energy: -118.999
flat angles P-C4'-P energy: -84.961
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: 5, replica: 4
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -1655.524556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.524556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.524556 (E_RNA)
where:
Base-Base interactions energy: -1132.292
where: short stacking energy: -471.865
Base-Backbone interact. energy: -0.484
local terms energy: -522.748101
where:
bonds (distance) C4'-P energy: -105.271
bonds (distance) P-C4' energy: -93.167
flat angles C4'-P-C4' energy: -108.878
flat angles P-C4'-P energy: -80.251
tors. eta vs tors. theta energy: -135.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1421.786972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.786972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.786972 (E_RNA)
where:
Base-Base interactions energy: -905.714
where: short stacking energy: -379.699
Base-Backbone interact. energy: -2.159
local terms energy: -513.914805
where:
bonds (distance) C4'-P energy: -121.477
bonds (distance) P-C4' energy: -114.965
flat angles C4'-P-C4' energy: -109.761
flat angles P-C4'-P energy: -74.712
tors. eta vs tors. theta energy: -93.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -1114.874797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.874797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.874797 (E_RNA)
where:
Base-Base interactions energy: -689.943
where: short stacking energy: -330.482
Base-Backbone interact. energy: -1.284
local terms energy: -423.647786
where:
bonds (distance) C4'-P energy: -98.206
bonds (distance) P-C4' energy: -99.824
flat angles C4'-P-C4' energy: -97.447
flat angles P-C4'-P energy: -53.057
tors. eta vs tors. theta energy: -75.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -882.845404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.845404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.845404 (E_RNA)
where:
Base-Base interactions energy: -503.923
where: short stacking energy: -233.183
Base-Backbone interact. energy: -2.638
local terms energy: -376.284481
where:
bonds (distance) C4'-P energy: -90.561
bonds (distance) P-C4' energy: -104.705
flat angles C4'-P-C4' energy: -95.978
flat angles P-C4'-P energy: -54.395
tors. eta vs tors. theta energy: -30.645
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: 9, replica: 2
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -762.125592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.125592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.125592 (E_RNA)
where:
Base-Base interactions energy: -420.083
where: short stacking energy: -244.810
Base-Backbone interact. energy: 2.117
local terms energy: -344.159654
where:
bonds (distance) C4'-P energy: -76.832
bonds (distance) P-C4' energy: -97.226
flat angles C4'-P-C4' energy: -81.669
flat angles P-C4'-P energy: -65.006
tors. eta vs tors. theta energy: -23.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -474.733911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.733911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.733911 (E_RNA)
where:
Base-Base interactions energy: -161.985
where: short stacking energy: -137.602
Base-Backbone interact. energy: 0.032
local terms energy: -312.781827
where:
bonds (distance) C4'-P energy: -94.322
bonds (distance) P-C4' energy: -94.031
flat angles C4'-P-C4' energy: -81.989
flat angles P-C4'-P energy: -55.853
tors. eta vs tors. theta energy: 13.414
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: 8
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -2106.537198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.537198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.537198 (E_RNA)
where:
Base-Base interactions energy: -1479.575
where: short stacking energy: -629.917
Base-Backbone interact. energy: 3.766
local terms energy: -630.727344
where:
bonds (distance) C4'-P energy: -99.798
bonds (distance) P-C4' energy: -113.107
flat angles C4'-P-C4' energy: -133.064
flat angles P-C4'-P energy: -95.309
tors. eta vs tors. theta energy: -189.449
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: 303
Temperature: 0.950000
Total energy: -1995.869900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.869900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.869900 (E_RNA)
where:
Base-Base interactions energy: -1385.039
where: short stacking energy: -597.318
Base-Backbone interact. energy: 1.041
local terms energy: -611.871844
where:
bonds (distance) C4'-P energy: -107.309
bonds (distance) P-C4' energy: -119.585
flat angles C4'-P-C4' energy: -125.317
flat angles P-C4'-P energy: -85.355
tors. eta vs tors. theta energy: -174.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -1902.073777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.073777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.073777 (E_RNA)
where:
Base-Base interactions energy: -1297.324
where: short stacking energy: -545.460
Base-Backbone interact. energy: -1.347
local terms energy: -603.402354
where:
bonds (distance) C4'-P energy: -108.943
bonds (distance) P-C4' energy: -118.385
flat angles C4'-P-C4' energy: -128.587
flat angles P-C4'-P energy: -85.369
tors. eta vs tors. theta energy: -162.119
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: 4, replica: 10
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1742.584668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.584668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.584668 (E_RNA)
where:
Base-Base interactions energy: -1159.761
where: short stacking energy: -522.875
Base-Backbone interact. energy: -0.771
local terms energy: -582.052412
where:
bonds (distance) C4'-P energy: -119.522
bonds (distance) P-C4' energy: -95.578
flat angles C4'-P-C4' energy: -139.654
flat angles P-C4'-P energy: -86.317
tors. eta vs tors. theta energy: -140.982
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: 4
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -1682.828564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.828564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.828564 (E_RNA)
where:
Base-Base interactions energy: -1143.227
where: short stacking energy: -488.154
Base-Backbone interact. energy: -1.987
local terms energy: -537.614035
where:
bonds (distance) C4'-P energy: -97.583
bonds (distance) P-C4' energy: -109.223
flat angles C4'-P-C4' energy: -124.152
flat angles P-C4'-P energy: -73.963
tors. eta vs tors. theta energy: -132.693
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: 3
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -1423.270377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.270377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.270377 (E_RNA)
where:
Base-Base interactions energy: -942.196
where: short stacking energy: -399.821
Base-Backbone interact. energy: -1.031
local terms energy: -480.043312
where:
bonds (distance) C4'-P energy: -107.255
bonds (distance) P-C4' energy: -99.896
flat angles C4'-P-C4' energy: -109.419
flat angles P-C4'-P energy: -64.128
tors. eta vs tors. theta energy: -99.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1149.059910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.059910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.059910 (E_RNA)
where:
Base-Base interactions energy: -729.589
where: short stacking energy: -322.403
Base-Backbone interact. energy: -0.299
local terms energy: -419.172092
where:
bonds (distance) C4'-P energy: -110.894
bonds (distance) P-C4' energy: -92.033
flat angles C4'-P-C4' energy: -97.004
flat angles P-C4'-P energy: -43.837
tors. eta vs tors. theta energy: -75.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -822.717808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.717808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.717808 (E_RNA)
where:
Base-Base interactions energy: -455.159
where: short stacking energy: -225.717
Base-Backbone interact. energy: 2.745
local terms energy: -370.304174
where:
bonds (distance) C4'-P energy: -100.680
bonds (distance) P-C4' energy: -101.017
flat angles C4'-P-C4' energy: -81.627
flat angles P-C4'-P energy: -53.372
tors. eta vs tors. theta energy: -33.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -803.542939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.542939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.542939 (E_RNA)
where:
Base-Base interactions energy: -457.984
where: short stacking energy: -216.876
Base-Backbone interact. energy: -1.026
local terms energy: -344.532518
where:
bonds (distance) C4'-P energy: -92.795
bonds (distance) P-C4' energy: -108.395
flat angles C4'-P-C4' energy: -64.962
flat angles P-C4'-P energy: -56.191
tors. eta vs tors. theta energy: -22.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -426.951808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.951808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.951808 (E_RNA)
where:
Base-Base interactions energy: -153.843
where: short stacking energy: -124.558
Base-Backbone interact. energy: 5.602
local terms energy: -278.710703
where:
bonds (distance) C4'-P energy: -92.297
bonds (distance) P-C4' energy: -94.214
flat angles C4'-P-C4' energy: -90.041
flat angles P-C4'-P energy: -33.803
tors. eta vs tors. theta energy: 31.644
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: 8
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -2131.659613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.659613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.659613 (E_RNA)
where:
Base-Base interactions energy: -1450.996
where: short stacking energy: -636.492
Base-Backbone interact. energy: 1.502
local terms energy: -682.166207
where:
bonds (distance) C4'-P energy: -131.838
bonds (distance) P-C4' energy: -114.799
flat angles C4'-P-C4' energy: -141.049
flat angles P-C4'-P energy: -98.571
tors. eta vs tors. theta energy: -195.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1997.195703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.195703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.195703 (E_RNA)
where:
Base-Base interactions energy: -1386.762
where: short stacking energy: -592.724
Base-Backbone interact. energy: -0.023
local terms energy: -610.410168
where:
bonds (distance) C4'-P energy: -109.618
bonds (distance) P-C4' energy: -120.431
flat angles C4'-P-C4' energy: -131.206
flat angles P-C4'-P energy: -72.487
tors. eta vs tors. theta energy: -176.668
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: 3, replica: 9
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -1901.343608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.343608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.343608 (E_RNA)
where:
Base-Base interactions energy: -1338.772
where: short stacking energy: -538.674
Base-Backbone interact. energy: 0.534
local terms energy: -563.105941
where:
bonds (distance) C4'-P energy: -98.003
bonds (distance) P-C4' energy: -107.139
flat angles C4'-P-C4' energy: -129.238
flat angles P-C4'-P energy: -80.971
tors. eta vs tors. theta energy: -147.756
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: 4, replica: 10
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1768.212509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.212509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.212509 (E_RNA)
where:
Base-Base interactions energy: -1203.143
where: short stacking energy: -531.153
Base-Backbone interact. energy: -0.259
local terms energy: -564.810028
where:
bonds (distance) C4'-P energy: -109.662
bonds (distance) P-C4' energy: -111.786
flat angles C4'-P-C4' energy: -121.630
flat angles P-C4'-P energy: -76.993
tors. eta vs tors. theta energy: -144.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -1726.540470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.540470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.540470 (E_RNA)
where:
Base-Base interactions energy: -1167.208
where: short stacking energy: -489.433
Base-Backbone interact. energy: -5.784
local terms energy: -553.548504
where:
bonds (distance) C4'-P energy: -119.150
bonds (distance) P-C4' energy: -101.135
flat angles C4'-P-C4' energy: -117.269
flat angles P-C4'-P energy: -77.868
tors. eta vs tors. theta energy: -138.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -1370.282786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.282786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.282786 (E_RNA)
where:
Base-Base interactions energy: -903.994
where: short stacking energy: -395.848
Base-Backbone interact. energy: 1.362
local terms energy: -467.650658
where:
bonds (distance) C4'-P energy: -87.696
bonds (distance) P-C4' energy: -92.894
flat angles C4'-P-C4' energy: -107.299
flat angles P-C4'-P energy: -80.810
tors. eta vs tors. theta energy: -98.952
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: 1
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -1083.447342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.447342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.447342 (E_RNA)
where:
Base-Base interactions energy: -656.900
where: short stacking energy: -305.936
Base-Backbone interact. energy: -1.699
local terms energy: -424.848076
where:
bonds (distance) C4'-P energy: -94.275
bonds (distance) P-C4' energy: -108.261
flat angles C4'-P-C4' energy: -94.744
flat angles P-C4'-P energy: -59.604
tors. eta vs tors. theta energy: -67.964
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: 2
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -849.150933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.150933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.150933 (E_RNA)
where:
Base-Base interactions energy: -456.261
where: short stacking energy: -247.092
Base-Backbone interact. energy: 1.504
local terms energy: -394.393890
where:
bonds (distance) C4'-P energy: -88.878
bonds (distance) P-C4' energy: -113.283
flat angles C4'-P-C4' energy: -99.999
flat angles P-C4'-P energy: -61.320
tors. eta vs tors. theta energy: -30.915
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: 5
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -798.963257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.963257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.963257 (E_RNA)
where:
Base-Base interactions energy: -425.672
where: short stacking energy: -203.727
Base-Backbone interact. energy: 2.606
local terms energy: -375.897713
where:
bonds (distance) C4'-P energy: -108.054
bonds (distance) P-C4' energy: -104.341
flat angles C4'-P-C4' energy: -79.431
flat angles P-C4'-P energy: -59.495
tors. eta vs tors. theta energy: -24.576
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: 6
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -429.870200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.870200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.870200 (E_RNA)
where:
Base-Base interactions energy: -124.285
where: short stacking energy: -102.086
Base-Backbone interact. energy: -1.505
local terms energy: -304.080025
where:
bonds (distance) C4'-P energy: -92.116
bonds (distance) P-C4' energy: -100.953
flat angles C4'-P-C4' energy: -73.138
flat angles P-C4'-P energy: -51.399
tors. eta vs tors. theta energy: 13.526
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: 1, replica: 8
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -2123.223159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.223159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.223159 (E_RNA)
where:
Base-Base interactions energy: -1459.382
where: short stacking energy: -623.903
Base-Backbone interact. energy: -1.468
local terms energy: -662.372490
where:
bonds (distance) C4'-P energy: -110.416
bonds (distance) P-C4' energy: -129.207
flat angles C4'-P-C4' energy: -133.770
flat angles P-C4'-P energy: -96.409
tors. eta vs tors. theta energy: -192.571
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: 2, replica: 7
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1992.765062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.765062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.765062 (E_RNA)
where:
Base-Base interactions energy: -1358.316
where: short stacking energy: -603.020
Base-Backbone interact. energy: -2.698
local terms energy: -631.751033
where:
bonds (distance) C4'-P energy: -118.060
bonds (distance) P-C4' energy: -114.425
flat angles C4'-P-C4' energy: -127.406
flat angles P-C4'-P energy: -94.442
tors. eta vs tors. theta energy: -177.418
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: 9
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1922.413519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.413519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.413519 (E_RNA)
where:
Base-Base interactions energy: -1344.428
where: short stacking energy: -534.474
Base-Backbone interact. energy: 1.599
local terms energy: -579.583945
where:
bonds (distance) C4'-P energy: -104.323
bonds (distance) P-C4' energy: -115.403
flat angles C4'-P-C4' energy: -132.908
flat angles P-C4'-P energy: -78.169
tors. eta vs tors. theta energy: -148.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1783.239976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.239976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.239976 (E_RNA)
where:
Base-Base interactions energy: -1231.176
where: short stacking energy: -515.183
Base-Backbone interact. energy: -2.207
local terms energy: -549.856722
where:
bonds (distance) C4'-P energy: -90.762
bonds (distance) P-C4' energy: -112.748
flat angles C4'-P-C4' energy: -130.087
flat angles P-C4'-P energy: -76.378
tors. eta vs tors. theta energy: -139.882
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: 5, replica: 10
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1732.347832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.347832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.347832 (E_RNA)
where:
Base-Base interactions energy: -1175.384
where: short stacking energy: -490.641
Base-Backbone interact. energy: 4.037
local terms energy: -561.000568
where:
bonds (distance) C4'-P energy: -113.314
bonds (distance) P-C4' energy: -105.841
flat angles C4'-P-C4' energy: -117.400
flat angles P-C4'-P energy: -73.560
tors. eta vs tors. theta energy: -150.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1365.707095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.707095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.707095 (E_RNA)
where:
Base-Base interactions energy: -892.950
where: short stacking energy: -400.286
Base-Backbone interact. energy: -1.042
local terms energy: -471.714388
where:
bonds (distance) C4'-P energy: -88.618
bonds (distance) P-C4' energy: -109.195
flat angles C4'-P-C4' energy: -109.705
flat angles P-C4'-P energy: -74.311
tors. eta vs tors. theta energy: -89.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1062.353009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.353009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.353009 (E_RNA)
where:
Base-Base interactions energy: -639.899
where: short stacking energy: -283.854
Base-Backbone interact. energy: -0.644
local terms energy: -421.810487
where:
bonds (distance) C4'-P energy: -109.889
bonds (distance) P-C4' energy: -114.074
flat angles C4'-P-C4' energy: -88.925
flat angles P-C4'-P energy: -61.955
tors. eta vs tors. theta energy: -46.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -863.929004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.929004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.929004 (E_RNA)
where:
Base-Base interactions energy: -499.338
where: short stacking energy: -245.016
Base-Backbone interact. energy: 0.825
local terms energy: -365.416331
where:
bonds (distance) C4'-P energy: -91.753
bonds (distance) P-C4' energy: -119.729
flat angles C4'-P-C4' energy: -69.985
flat angles P-C4'-P energy: -57.748
tors. eta vs tors. theta energy: -26.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -778.271459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.271459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.271459 (E_RNA)
where:
Base-Base interactions energy: -411.047
where: short stacking energy: -211.696
Base-Backbone interact. energy: -0.797
local terms energy: -366.427618
where:
bonds (distance) C4'-P energy: -93.794
bonds (distance) P-C4' energy: -86.726
flat angles C4'-P-C4' energy: -97.594
flat angles P-C4'-P energy: -53.971
tors. eta vs tors. theta energy: -34.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -433.578018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.578018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.578018 (E_RNA)
where:
Base-Base interactions energy: -158.664
where: short stacking energy: -124.571
Base-Backbone interact. energy: 10.108
local terms energy: -285.022090
where:
bonds (distance) C4'-P energy: -94.185
bonds (distance) P-C4' energy: -110.791
flat angles C4'-P-C4' energy: -83.199
flat angles P-C4'-P energy: -33.571
tors. eta vs tors. theta energy: 36.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -2095.093768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.093768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.093768 (E_RNA)
where:
Base-Base interactions energy: -1428.727
where: short stacking energy: -621.130
Base-Backbone interact. energy: -0.573
local terms energy: -665.793819
where:
bonds (distance) C4'-P energy: -125.017
bonds (distance) P-C4' energy: -123.734
flat angles C4'-P-C4' energy: -135.559
flat angles P-C4'-P energy: -92.546
tors. eta vs tors. theta energy: -188.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1998.292725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.292725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.292725 (E_RNA)
where:
Base-Base interactions energy: -1353.116
where: short stacking energy: -586.572
Base-Backbone interact. energy: -3.093
local terms energy: -642.084347
where:
bonds (distance) C4'-P energy: -116.210
bonds (distance) P-C4' energy: -133.235
flat angles C4'-P-C4' energy: -132.277
flat angles P-C4'-P energy: -88.087
tors. eta vs tors. theta energy: -172.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1888.182694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.182694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.182694 (E_RNA)
where:
Base-Base interactions energy: -1316.078
where: short stacking energy: -539.588
Base-Backbone interact. energy: -0.774
local terms energy: -571.330932
where:
bonds (distance) C4'-P energy: -96.149
bonds (distance) P-C4' energy: -119.712
flat angles C4'-P-C4' energy: -120.270
flat angles P-C4'-P energy: -77.663
tors. eta vs tors. theta energy: -157.538
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: 4
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1769.848162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.848162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.848162 (E_RNA)
where:
Base-Base interactions energy: -1210.582
where: short stacking energy: -519.674
Base-Backbone interact. energy: -0.249
local terms energy: -559.017793
where:
bonds (distance) C4'-P energy: -106.054
bonds (distance) P-C4' energy: -102.780
flat angles C4'-P-C4' energy: -116.167
flat angles P-C4'-P energy: -91.622
tors. eta vs tors. theta energy: -142.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -1670.447812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.447812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.447812 (E_RNA)
where:
Base-Base interactions energy: -1145.691
where: short stacking energy: -476.446
Base-Backbone interact. energy: -1.683
local terms energy: -523.073390
where:
bonds (distance) C4'-P energy: -102.405
bonds (distance) P-C4' energy: -95.204
flat angles C4'-P-C4' energy: -113.715
flat angles P-C4'-P energy: -74.790
tors. eta vs tors. theta energy: -136.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1340.572756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.572756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.572756 (E_RNA)
where:
Base-Base interactions energy: -861.664
where: short stacking energy: -362.515
Base-Backbone interact. energy: 5.785
local terms energy: -484.693115
where:
bonds (distance) C4'-P energy: -102.668
bonds (distance) P-C4' energy: -100.660
flat angles C4'-P-C4' energy: -110.952
flat angles P-C4'-P energy: -81.707
tors. eta vs tors. theta energy: -88.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1055.545383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.545383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.545383 (E_RNA)
where:
Base-Base interactions energy: -620.510
where: short stacking energy: -310.025
Base-Backbone interact. energy: 0.970
local terms energy: -436.005172
where:
bonds (distance) C4'-P energy: -120.240
bonds (distance) P-C4' energy: -101.085
flat angles C4'-P-C4' energy: -94.356
flat angles P-C4'-P energy: -54.002
tors. eta vs tors. theta energy: -66.322
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: 8, replica: 5
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -893.678848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.678848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.678848 (E_RNA)
where:
Base-Base interactions energy: -537.548
where: short stacking energy: -277.935
Base-Backbone interact. energy: -0.078
local terms energy: -356.053098
where:
bonds (distance) C4'-P energy: -92.842
bonds (distance) P-C4' energy: -91.568
flat angles C4'-P-C4' energy: -85.068
flat angles P-C4'-P energy: -47.926
tors. eta vs tors. theta energy: -38.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -785.289249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.289249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.289249 (E_RNA)
where:
Base-Base interactions energy: -430.747
where: short stacking energy: -219.580
Base-Backbone interact. energy: 2.976
local terms energy: -357.518057
where:
bonds (distance) C4'-P energy: -95.633
bonds (distance) P-C4' energy: -104.752
flat angles C4'-P-C4' energy: -83.418
flat angles P-C4'-P energy: -52.878
tors. eta vs tors. theta energy: -20.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -454.921483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.921483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.921483 (E_RNA)
where:
Base-Base interactions energy: -156.197
where: short stacking energy: -112.837
Base-Backbone interact. energy: 1.908
local terms energy: -300.632986
where:
bonds (distance) C4'-P energy: -87.009
bonds (distance) P-C4' energy: -105.991
flat angles C4'-P-C4' energy: -80.997
flat angles P-C4'-P energy: -45.925
tors. eta vs tors. theta energy: 19.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -2108.166194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.166194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.166194 (E_RNA)
where:
Base-Base interactions energy: -1440.841
where: short stacking energy: -641.659
Base-Backbone interact. energy: -0.757
local terms energy: -666.568275
where:
bonds (distance) C4'-P energy: -115.403
bonds (distance) P-C4' energy: -116.058
flat angles C4'-P-C4' energy: -137.353
flat angles P-C4'-P energy: -97.752
tors. eta vs tors. theta energy: -200.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -2009.397417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.397417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.397417 (E_RNA)
where:
Base-Base interactions energy: -1384.352
where: short stacking energy: -593.537
Base-Backbone interact. energy: 3.244
local terms energy: -628.288791
where:
bonds (distance) C4'-P energy: -114.125
bonds (distance) P-C4' energy: -112.695
flat angles C4'-P-C4' energy: -126.585
flat angles P-C4'-P energy: -92.184
tors. eta vs tors. theta energy: -182.700
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: 9
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -1926.867706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.867706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.867706 (E_RNA)
where:
Base-Base interactions energy: -1334.056
where: short stacking energy: -540.988
Base-Backbone interact. energy: -2.179
local terms energy: -590.632587
where:
bonds (distance) C4'-P energy: -113.315
bonds (distance) P-C4' energy: -104.716
flat angles C4'-P-C4' energy: -125.591
flat angles P-C4'-P energy: -91.758
tors. eta vs tors. theta energy: -155.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1802.989836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.989836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.989836 (E_RNA)
where:
Base-Base interactions energy: -1239.914
where: short stacking energy: -522.828
Base-Backbone interact. energy: -1.646
local terms energy: -561.429859
where:
bonds (distance) C4'-P energy: -111.035
bonds (distance) P-C4' energy: -107.639
flat angles C4'-P-C4' energy: -131.649
flat angles P-C4'-P energy: -68.877
tors. eta vs tors. theta energy: -142.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1737.245994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.245994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.245994 (E_RNA)
where:
Base-Base interactions energy: -1177.852
where: short stacking energy: -525.007
Base-Backbone interact. energy: -0.709
local terms energy: -558.685337
where:
bonds (distance) C4'-P energy: -90.635
bonds (distance) P-C4' energy: -107.546
flat angles C4'-P-C4' energy: -123.106
flat angles P-C4'-P energy: -80.999
tors. eta vs tors. theta energy: -156.399
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: 6, replica: 3
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1329.932535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.932535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.932535 (E_RNA)
where:
Base-Base interactions energy: -885.708
where: short stacking energy: -369.399
Base-Backbone interact. energy: 2.838
local terms energy: -447.062301
where:
bonds (distance) C4'-P energy: -89.935
bonds (distance) P-C4' energy: -100.809
flat angles C4'-P-C4' energy: -105.250
flat angles P-C4'-P energy: -71.145
tors. eta vs tors. theta energy: -79.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -1046.676845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.676845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.676845 (E_RNA)
where:
Base-Base interactions energy: -653.399
where: short stacking energy: -282.210
Base-Backbone interact. energy: 3.525
local terms energy: -396.802970
where:
bonds (distance) C4'-P energy: -99.091
bonds (distance) P-C4' energy: -100.403
flat angles C4'-P-C4' energy: -104.406
flat angles P-C4'-P energy: -52.615
tors. eta vs tors. theta energy: -40.289
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: 307
Temperature: 1.250000
Total energy: -918.435272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.435272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.435272 (E_RNA)
where:
Base-Base interactions energy: -502.256
where: short stacking energy: -250.917
Base-Backbone interact. energy: -0.854
local terms energy: -415.324926
where:
bonds (distance) C4'-P energy: -82.139
bonds (distance) P-C4' energy: -101.649
flat angles C4'-P-C4' energy: -122.433
flat angles P-C4'-P energy: -55.733
tors. eta vs tors. theta energy: -53.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -722.999284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.999284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.999284 (E_RNA)
where:
Base-Base interactions energy: -393.666
where: short stacking energy: -197.878
Base-Backbone interact. energy: 3.675
local terms energy: -333.008661
where:
bonds (distance) C4'-P energy: -90.619
bonds (distance) P-C4' energy: -95.569
flat angles C4'-P-C4' energy: -94.079
flat angles P-C4'-P energy: -38.549
tors. eta vs tors. theta energy: -14.193
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: 6
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -463.483192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.483192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.483192 (E_RNA)
where:
Base-Base interactions energy: -154.267
where: short stacking energy: -117.200
Base-Backbone interact. energy: 5.787
local terms energy: -315.003229
where:
bonds (distance) C4'-P energy: -89.936
bonds (distance) P-C4' energy: -115.890
flat angles C4'-P-C4' energy: -71.342
flat angles P-C4'-P energy: -63.450
tors. eta vs tors. theta energy: 25.614
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: 8
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -2106.564319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.564319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.564319 (E_RNA)
where:
Base-Base interactions energy: -1451.847
where: short stacking energy: -662.120
Base-Backbone interact. energy: -0.291
local terms energy: -654.425496
where:
bonds (distance) C4'-P energy: -103.559
bonds (distance) P-C4' energy: -107.437
flat angles C4'-P-C4' energy: -148.569
flat angles P-C4'-P energy: -98.887
tors. eta vs tors. theta energy: -195.973
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: 7
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -2018.052780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.052780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.052780 (E_RNA)
where:
Base-Base interactions energy: -1386.526
where: short stacking energy: -572.347
Base-Backbone interact. energy: -0.948
local terms energy: -630.578190
where:
bonds (distance) C4'-P energy: -120.574
bonds (distance) P-C4' energy: -111.687
flat angles C4'-P-C4' energy: -125.398
flat angles P-C4'-P energy: -90.550
tors. eta vs tors. theta energy: -182.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -1946.940717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.940717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.940717 (E_RNA)
where:
Base-Base interactions energy: -1355.747
where: short stacking energy: -565.037
Base-Backbone interact. energy: -0.086
local terms energy: -591.107546
where:
bonds (distance) C4'-P energy: -107.275
bonds (distance) P-C4' energy: -106.129
flat angles C4'-P-C4' energy: -127.702
flat angles P-C4'-P energy: -79.501
tors. eta vs tors. theta energy: -170.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -1822.652805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.652805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.652805 (E_RNA)
where:
Base-Base interactions energy: -1251.679
where: short stacking energy: -507.787
Base-Backbone interact. energy: -3.614
local terms energy: -567.359099
where:
bonds (distance) C4'-P energy: -93.723
bonds (distance) P-C4' energy: -123.489
flat angles C4'-P-C4' energy: -120.706
flat angles P-C4'-P energy: -92.466
tors. eta vs tors. theta energy: -136.974
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: 10
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -1714.563558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.563558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.563558 (E_RNA)
where:
Base-Base interactions energy: -1170.315
where: short stacking energy: -490.203
Base-Backbone interact. energy: -1.657
local terms energy: -542.591134
where:
bonds (distance) C4'-P energy: -99.191
bonds (distance) P-C4' energy: -108.730
flat angles C4'-P-C4' energy: -114.014
flat angles P-C4'-P energy: -74.097
tors. eta vs tors. theta energy: -146.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1362.909177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.909177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.909177 (E_RNA)
where:
Base-Base interactions energy: -888.636
where: short stacking energy: -405.163
Base-Backbone interact. energy: 0.873
local terms energy: -475.146326
where:
bonds (distance) C4'-P energy: -96.745
bonds (distance) P-C4' energy: -100.081
flat angles C4'-P-C4' energy: -117.731
flat angles P-C4'-P energy: -57.989
tors. eta vs tors. theta energy: -102.601
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: 1
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1056.660455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.660455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.660455 (E_RNA)
where:
Base-Base interactions energy: -628.196
where: short stacking energy: -299.821
Base-Backbone interact. energy: -1.851
local terms energy: -426.613088
where:
bonds (distance) C4'-P energy: -110.207
bonds (distance) P-C4' energy: -106.736
flat angles C4'-P-C4' energy: -94.300
flat angles P-C4'-P energy: -57.347
tors. eta vs tors. theta energy: -58.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -888.741074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.741074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.741074 (E_RNA)
where:
Base-Base interactions energy: -481.070
where: short stacking energy: -243.003
Base-Backbone interact. energy: 0.938
local terms energy: -408.608613
where:
bonds (distance) C4'-P energy: -114.796
bonds (distance) P-C4' energy: -88.382
flat angles C4'-P-C4' energy: -90.413
flat angles P-C4'-P energy: -73.159
tors. eta vs tors. theta energy: -41.858
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: 2
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -769.044134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.044134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.044134 (E_RNA)
where:
Base-Base interactions energy: -419.886
where: short stacking energy: -224.714
Base-Backbone interact. energy: 5.499
local terms energy: -354.657319
where:
bonds (distance) C4'-P energy: -73.213
bonds (distance) P-C4' energy: -102.462
flat angles C4'-P-C4' energy: -95.402
flat angles P-C4'-P energy: -61.831
tors. eta vs tors. theta energy: -21.749
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: 6
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -517.525865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.525865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.525865 (E_RNA)
where:
Base-Base interactions energy: -213.736
where: short stacking energy: -154.100
Base-Backbone interact. energy: -1.150
local terms energy: -302.639897
where:
bonds (distance) C4'-P energy: -81.879
bonds (distance) P-C4' energy: -109.360
flat angles C4'-P-C4' energy: -80.301
flat angles P-C4'-P energy: -39.372
tors. eta vs tors. theta energy: 8.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -2104.054185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.054185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.054185 (E_RNA)
where:
Base-Base interactions energy: -1440.345
where: short stacking energy: -617.764
Base-Backbone interact. energy: -1.190
local terms energy: -662.518988
where:
bonds (distance) C4'-P energy: -118.256
bonds (distance) P-C4' energy: -111.982
flat angles C4'-P-C4' energy: -141.185
flat angles P-C4'-P energy: -95.513
tors. eta vs tors. theta energy: -195.583
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: 7
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -2010.960771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.960771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.960771 (E_RNA)
where:
Base-Base interactions energy: -1364.445
where: short stacking energy: -588.508
Base-Backbone interact. energy: -2.544
local terms energy: -643.971654
where:
bonds (distance) C4'-P energy: -118.187
bonds (distance) P-C4' energy: -110.864
flat angles C4'-P-C4' energy: -130.717
flat angles P-C4'-P energy: -92.975
tors. eta vs tors. theta energy: -191.228
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: 9
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1936.055550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.055550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.055550 (E_RNA)
where:
Base-Base interactions energy: -1316.593
where: short stacking energy: -554.910
Base-Backbone interact. energy: -3.700
local terms energy: -615.762697
where:
bonds (distance) C4'-P energy: -121.720
bonds (distance) P-C4' energy: -102.905
flat angles C4'-P-C4' energy: -135.472
flat angles P-C4'-P energy: -84.870
tors. eta vs tors. theta energy: -170.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -1814.333460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.333460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.333460 (E_RNA)
where:
Base-Base interactions energy: -1250.297
where: short stacking energy: -519.128
Base-Backbone interact. energy: -0.291
local terms energy: -563.746168
where:
bonds (distance) C4'-P energy: -99.697
bonds (distance) P-C4' energy: -112.610
flat angles C4'-P-C4' energy: -132.669
flat angles P-C4'-P energy: -77.748
tors. eta vs tors. theta energy: -141.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -1676.934174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.934174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.934174 (E_RNA)
where:
Base-Base interactions energy: -1164.031
where: short stacking energy: -509.053
Base-Backbone interact. energy: -1.510
local terms energy: -511.392949
where:
bonds (distance) C4'-P energy: -87.841
bonds (distance) P-C4' energy: -109.124
flat angles C4'-P-C4' energy: -111.645
flat angles P-C4'-P energy: -64.251
tors. eta vs tors. theta energy: -138.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1395.263312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.263312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.263312 (E_RNA)
where:
Base-Base interactions energy: -897.145
where: short stacking energy: -397.726
Base-Backbone interact. energy: -1.744
local terms energy: -496.373459
where:
bonds (distance) C4'-P energy: -93.057
bonds (distance) P-C4' energy: -108.162
flat angles C4'-P-C4' energy: -109.464
flat angles P-C4'-P energy: -83.780
tors. eta vs tors. theta energy: -101.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -1091.938219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.938219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.938219 (E_RNA)
where:
Base-Base interactions energy: -673.518
where: short stacking energy: -282.070
Base-Backbone interact. energy: -1.065
local terms energy: -417.355167
where:
bonds (distance) C4'-P energy: -89.356
bonds (distance) P-C4' energy: -99.392
flat angles C4'-P-C4' energy: -97.405
flat angles P-C4'-P energy: -72.726
tors. eta vs tors. theta energy: -58.475
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: 2
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -786.004820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.004820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.004820 (E_RNA)
where:
Base-Base interactions energy: -430.711
where: short stacking energy: -251.902
Base-Backbone interact. energy: 6.158
local terms energy: -361.451891
where:
bonds (distance) C4'-P energy: -90.966
bonds (distance) P-C4' energy: -111.110
flat angles C4'-P-C4' energy: -96.618
flat angles P-C4'-P energy: -39.866
tors. eta vs tors. theta energy: -22.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -835.267423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.267423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.267423 (E_RNA)
where:
Base-Base interactions energy: -457.664
where: short stacking energy: -230.570
Base-Backbone interact. energy: 1.568
local terms energy: -379.170940
where:
bonds (distance) C4'-P energy: -93.643
bonds (distance) P-C4' energy: -88.305
flat angles C4'-P-C4' energy: -96.871
flat angles P-C4'-P energy: -64.890
tors. eta vs tors. theta energy: -35.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -517.954335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.954335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.954335 (E_RNA)
where:
Base-Base interactions energy: -222.909
where: short stacking energy: -149.803
Base-Backbone interact. energy: 2.063
local terms energy: -297.108096
where:
bonds (distance) C4'-P energy: -86.822
bonds (distance) P-C4' energy: -87.135
flat angles C4'-P-C4' energy: -84.367
flat angles P-C4'-P energy: -44.840
tors. eta vs tors. theta energy: 6.056
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: 8
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -2083.576551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.576551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.576551 (E_RNA)
where:
Base-Base interactions energy: -1415.862
where: short stacking energy: -619.015
Base-Backbone interact. energy: -3.871
local terms energy: -663.843372
where:
bonds (distance) C4'-P energy: -117.394
bonds (distance) P-C4' energy: -121.076
flat angles C4'-P-C4' energy: -135.128
flat angles P-C4'-P energy: -101.175
tors. eta vs tors. theta energy: -189.070
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: 310
Temperature: 0.950000
Total energy: -1981.011395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.011395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.011395 (E_RNA)
where:
Base-Base interactions energy: -1382.545
where: short stacking energy: -601.544
Base-Backbone interact. energy: 0.498
local terms energy: -598.964161
where:
bonds (distance) C4'-P energy: -94.702
bonds (distance) P-C4' energy: -111.682
flat angles C4'-P-C4' energy: -126.316
flat angles P-C4'-P energy: -86.287
tors. eta vs tors. theta energy: -179.977
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: 310
Temperature: 1.000000
Total energy: -1918.328189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.328189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.328189 (E_RNA)
where:
Base-Base interactions energy: -1321.958
where: short stacking energy: -543.405
Base-Backbone interact. energy: -0.379
local terms energy: -595.991701
where:
bonds (distance) C4'-P energy: -123.621
bonds (distance) P-C4' energy: -116.895
flat angles C4'-P-C4' energy: -115.587
flat angles P-C4'-P energy: -87.841
tors. eta vs tors. theta energy: -152.048
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: 4, replica: 4
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -1821.146644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.146644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.146644 (E_RNA)
where:
Base-Base interactions energy: -1262.430
where: short stacking energy: -507.360
Base-Backbone interact. energy: -1.981
local terms energy: -556.735289
where:
bonds (distance) C4'-P energy: -117.232
bonds (distance) P-C4' energy: -107.808
flat angles C4'-P-C4' energy: -124.815
flat angles P-C4'-P energy: -68.184
tors. eta vs tors. theta energy: -138.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -1695.864654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.864654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.864654 (E_RNA)
where:
Base-Base interactions energy: -1165.808
where: short stacking energy: -506.765
Base-Backbone interact. energy: 3.749
local terms energy: -533.806507
where:
bonds (distance) C4'-P energy: -102.206
bonds (distance) P-C4' energy: -102.049
flat angles C4'-P-C4' energy: -119.863
flat angles P-C4'-P energy: -74.645
tors. eta vs tors. theta energy: -135.044
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: 3
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1402.895874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.895874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.895874 (E_RNA)
where:
Base-Base interactions energy: -917.559
where: short stacking energy: -416.873
Base-Backbone interact. energy: -1.628
local terms energy: -483.708973
where:
bonds (distance) C4'-P energy: -91.545
bonds (distance) P-C4' energy: -110.795
flat angles C4'-P-C4' energy: -96.307
flat angles P-C4'-P energy: -78.815
tors. eta vs tors. theta energy: -106.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -1095.639551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.639551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.639551 (E_RNA)
where:
Base-Base interactions energy: -692.730
where: short stacking energy: -302.761
Base-Backbone interact. energy: -2.611
local terms energy: -400.298567
where:
bonds (distance) C4'-P energy: -84.062
bonds (distance) P-C4' energy: -105.421
flat angles C4'-P-C4' energy: -106.630
flat angles P-C4'-P energy: -63.613
tors. eta vs tors. theta energy: -40.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -728.518314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.518314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.518314 (E_RNA)
where:
Base-Base interactions energy: -376.900
where: short stacking energy: -198.102
Base-Backbone interact. energy: -0.808
local terms energy: -350.810774
where:
bonds (distance) C4'-P energy: -96.138
bonds (distance) P-C4' energy: -108.439
flat angles C4'-P-C4' energy: -80.066
flat angles P-C4'-P energy: -57.767
tors. eta vs tors. theta energy: -8.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -852.375186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.375186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.375186 (E_RNA)
where:
Base-Base interactions energy: -492.820
where: short stacking energy: -238.813
Base-Backbone interact. energy: -1.739
local terms energy: -357.816212
where:
bonds (distance) C4'-P energy: -93.335
bonds (distance) P-C4' energy: -103.257
flat angles C4'-P-C4' energy: -81.225
flat angles P-C4'-P energy: -51.836
tors. eta vs tors. theta energy: -28.164
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: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -484.293293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.293293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.293293 (E_RNA)
where:
Base-Base interactions energy: -201.360
where: short stacking energy: -127.698
Base-Backbone interact. energy: 0.045
local terms energy: -282.978139
where:
bonds (distance) C4'-P energy: -88.083
bonds (distance) P-C4' energy: -98.892
flat angles C4'-P-C4' energy: -70.151
flat angles P-C4'-P energy: -45.021
tors. eta vs tors. theta energy: 19.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -2099.575869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.575869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.575869 (E_RNA)
where:
Base-Base interactions energy: -1439.688
where: short stacking energy: -615.763
Base-Backbone interact. energy: 2.923
local terms energy: -662.810998
where:
bonds (distance) C4'-P energy: -126.501
bonds (distance) P-C4' energy: -122.592
flat angles C4'-P-C4' energy: -141.988
flat angles P-C4'-P energy: -81.302
tors. eta vs tors. theta energy: -190.428
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: 7
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -2061.380725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.380725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.380725 (E_RNA)
where:
Base-Base interactions energy: -1407.736
where: short stacking energy: -590.034
Base-Backbone interact. energy: -1.582
local terms energy: -652.062236
where:
bonds (distance) C4'-P energy: -114.338
bonds (distance) P-C4' energy: -125.116
flat angles C4'-P-C4' energy: -133.136
flat angles P-C4'-P energy: -93.640
tors. eta vs tors. theta energy: -185.832
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: 9
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1915.733837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.733837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.733837 (E_RNA)
where:
Base-Base interactions energy: -1336.398
where: short stacking energy: -556.532
Base-Backbone interact. energy: 2.413
local terms energy: -581.748857
where:
bonds (distance) C4'-P energy: -109.091
bonds (distance) P-C4' energy: -101.930
flat angles C4'-P-C4' energy: -126.692
flat angles P-C4'-P energy: -87.413
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: 4, replica: 4
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1845.475166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.475166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.475166 (E_RNA)
where:
Base-Base interactions energy: -1274.736
where: short stacking energy: -536.053
Base-Backbone interact. energy: 7.052
local terms energy: -577.790558
where:
bonds (distance) C4'-P energy: -117.732
bonds (distance) P-C4' energy: -111.728
flat angles C4'-P-C4' energy: -113.563
flat angles P-C4'-P energy: -80.410
tors. eta vs tors. theta energy: -154.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1706.542012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.542012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.542012 (E_RNA)
where:
Base-Base interactions energy: -1163.500
where: short stacking energy: -509.229
Base-Backbone interact. energy: 0.021
local terms energy: -543.062582
where:
bonds (distance) C4'-P energy: -97.431
bonds (distance) P-C4' energy: -101.657
flat angles C4'-P-C4' energy: -120.617
flat angles P-C4'-P energy: -72.046
tors. eta vs tors. theta energy: -151.313
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: 3
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1422.100534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.100534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.100534 (E_RNA)
where:
Base-Base interactions energy: -942.194
where: short stacking energy: -373.990
Base-Backbone interact. energy: -3.559
local terms energy: -476.346776
where:
bonds (distance) C4'-P energy: -95.624
bonds (distance) P-C4' energy: -113.643
flat angles C4'-P-C4' energy: -114.669
flat angles P-C4'-P energy: -64.758
tors. eta vs tors. theta energy: -87.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1049.934926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.934926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.934926 (E_RNA)
where:
Base-Base interactions energy: -628.755
where: short stacking energy: -303.207
Base-Backbone interact. energy: -1.952
local terms energy: -419.227812
where:
bonds (distance) C4'-P energy: -92.972
bonds (distance) P-C4' energy: -110.055
flat angles C4'-P-C4' energy: -98.686
flat angles P-C4'-P energy: -66.132
tors. eta vs tors. theta energy: -51.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -833.058266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.058266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.058266 (E_RNA)
where:
Base-Base interactions energy: -482.779
where: short stacking energy: -232.115
Base-Backbone interact. energy: -1.344
local terms energy: -348.936084
where:
bonds (distance) C4'-P energy: -94.436
bonds (distance) P-C4' energy: -98.671
flat angles C4'-P-C4' energy: -80.715
flat angles P-C4'-P energy: -52.215
tors. eta vs tors. theta energy: -22.899
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: 2
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -708.055356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.055356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.055356 (E_RNA)
where:
Base-Base interactions energy: -340.876
where: short stacking energy: -189.039
Base-Backbone interact. energy: 0.888
local terms energy: -368.067221
where:
bonds (distance) C4'-P energy: -84.506
bonds (distance) P-C4' energy: -100.417
flat angles C4'-P-C4' energy: -89.601
flat angles P-C4'-P energy: -81.243
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: 10, replica: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -504.234982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.234982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.234982 (E_RNA)
where:
Base-Base interactions energy: -204.979
where: short stacking energy: -144.068
Base-Backbone interact. energy: 2.268
local terms energy: -301.524115
where:
bonds (distance) C4'-P energy: -83.490
bonds (distance) P-C4' energy: -109.881
flat angles C4'-P-C4' energy: -73.688
flat angles P-C4'-P energy: -40.842
tors. eta vs tors. theta energy: 6.377
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: 8
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -2103.172331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.172331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.172331 (E_RNA)
where:
Base-Base interactions energy: -1456.999
where: short stacking energy: -605.579
Base-Backbone interact. energy: -2.780
local terms energy: -643.393352
where:
bonds (distance) C4'-P energy: -115.872
bonds (distance) P-C4' energy: -116.679
flat angles C4'-P-C4' energy: -129.346
flat angles P-C4'-P energy: -96.388
tors. eta vs tors. theta energy: -185.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -2031.540287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.540287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.540287 (E_RNA)
where:
Base-Base interactions energy: -1397.053
where: short stacking energy: -597.128
Base-Backbone interact. energy: -1.048
local terms energy: -633.438639
where:
bonds (distance) C4'-P energy: -110.577
bonds (distance) P-C4' energy: -104.863
flat angles C4'-P-C4' energy: -144.131
flat angles P-C4'-P energy: -85.873
tors. eta vs tors. theta energy: -187.995
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: 4
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -1886.826894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.826894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.826894 (E_RNA)
where:
Base-Base interactions energy: -1315.133
where: short stacking energy: -542.196
Base-Backbone interact. energy: 3.162
local terms energy: -574.856622
where:
bonds (distance) C4'-P energy: -99.812
bonds (distance) P-C4' energy: -117.998
flat angles C4'-P-C4' energy: -120.977
flat angles P-C4'-P energy: -90.937
tors. eta vs tors. theta energy: -145.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1816.870755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.870755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.870755 (E_RNA)
where:
Base-Base interactions energy: -1248.936
where: short stacking energy: -520.370
Base-Backbone interact. energy: -1.226
local terms energy: -566.708309
where:
bonds (distance) C4'-P energy: -100.688
bonds (distance) P-C4' energy: -117.479
flat angles C4'-P-C4' energy: -125.505
flat angles P-C4'-P energy: -76.424
tors. eta vs tors. theta energy: -146.612
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: 10
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -1682.577326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.577326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.577326 (E_RNA)
where:
Base-Base interactions energy: -1146.774
where: short stacking energy: -482.765
Base-Backbone interact. energy: -1.485
local terms energy: -534.318106
where:
bonds (distance) C4'-P energy: -100.876
bonds (distance) P-C4' energy: -110.065
flat angles C4'-P-C4' energy: -117.881
flat angles P-C4'-P energy: -70.814
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: 6, replica: 3
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1367.052314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.052314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.052314 (E_RNA)
where:
Base-Base interactions energy: -884.949
where: short stacking energy: -374.940
Base-Backbone interact. energy: 2.539
local terms energy: -484.642489
where:
bonds (distance) C4'-P energy: -99.843
bonds (distance) P-C4' energy: -114.426
flat angles C4'-P-C4' energy: -104.353
flat angles P-C4'-P energy: -75.585
tors. eta vs tors. theta energy: -90.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1018.767730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.767730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.767730 (E_RNA)
where:
Base-Base interactions energy: -585.534
where: short stacking energy: -288.996
Base-Backbone interact. energy: 1.554
local terms energy: -434.787109
where:
bonds (distance) C4'-P energy: -92.727
bonds (distance) P-C4' energy: -112.170
flat angles C4'-P-C4' energy: -110.714
flat angles P-C4'-P energy: -67.867
tors. eta vs tors. theta energy: -51.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -856.738949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.738949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.738949 (E_RNA)
where:
Base-Base interactions energy: -465.608
where: short stacking energy: -253.783
Base-Backbone interact. energy: -0.745
local terms energy: -390.386256
where:
bonds (distance) C4'-P energy: -93.730
bonds (distance) P-C4' energy: -98.336
flat angles C4'-P-C4' energy: -99.181
flat angles P-C4'-P energy: -67.279
tors. eta vs tors. theta energy: -31.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -733.004803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.004803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.004803 (E_RNA)
where:
Base-Base interactions energy: -380.915
where: short stacking energy: -200.662
Base-Backbone interact. energy: 0.023
local terms energy: -352.112350
where:
bonds (distance) C4'-P energy: -81.490
bonds (distance) P-C4' energy: -112.238
flat angles C4'-P-C4' energy: -95.305
flat angles P-C4'-P energy: -60.515
tors. eta vs tors. theta energy: -2.564
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: 6
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -483.123857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.123857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.123857 (E_RNA)
where:
Base-Base interactions energy: -192.944
where: short stacking energy: -140.159
Base-Backbone interact. energy: -0.039
local terms energy: -290.139945
where:
bonds (distance) C4'-P energy: -96.732
bonds (distance) P-C4' energy: -106.361
flat angles C4'-P-C4' energy: -71.210
flat angles P-C4'-P energy: -28.225
tors. eta vs tors. theta energy: 12.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -2124.169575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.169575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.169575 (E_RNA)
where:
Base-Base interactions energy: -1461.931
where: short stacking energy: -601.130
Base-Backbone interact. energy: -3.438
local terms energy: -658.799944
where:
bonds (distance) C4'-P energy: -115.593
bonds (distance) P-C4' energy: -123.846
flat angles C4'-P-C4' energy: -143.071
flat angles P-C4'-P energy: -86.204
tors. eta vs tors. theta energy: -190.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -2013.914558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.914558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.914558 (E_RNA)
where:
Base-Base interactions energy: -1387.748
where: short stacking energy: -577.764
Base-Backbone interact. energy: -1.456
local terms energy: -624.710676
where:
bonds (distance) C4'-P energy: -107.309
bonds (distance) P-C4' energy: -112.976
flat angles C4'-P-C4' energy: -128.977
flat angles P-C4'-P energy: -86.770
tors. eta vs tors. theta energy: -188.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -1874.984243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.984243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.984243 (E_RNA)
where:
Base-Base interactions energy: -1307.566
where: short stacking energy: -542.095
Base-Backbone interact. energy: 4.978
local terms energy: -572.396262
where:
bonds (distance) C4'-P energy: -106.713
bonds (distance) P-C4' energy: -107.284
flat angles C4'-P-C4' energy: -126.616
flat angles P-C4'-P energy: -79.644
tors. eta vs tors. theta energy: -152.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1822.317754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.317754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.317754 (E_RNA)
where:
Base-Base interactions energy: -1239.591
where: short stacking energy: -508.236
Base-Backbone interact. energy: -2.557
local terms energy: -580.170599
where:
bonds (distance) C4'-P energy: -92.679
bonds (distance) P-C4' energy: -106.617
flat angles C4'-P-C4' energy: -137.890
flat angles P-C4'-P energy: -88.550
tors. eta vs tors. theta energy: -154.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1649.320095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.320095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.320095 (E_RNA)
where:
Base-Base interactions energy: -1158.487
where: short stacking energy: -464.230
Base-Backbone interact. energy: 3.337
local terms energy: -494.169899
where:
bonds (distance) C4'-P energy: -77.369
bonds (distance) P-C4' energy: -94.749
flat angles C4'-P-C4' energy: -134.139
flat angles P-C4'-P energy: -69.170
tors. eta vs tors. theta energy: -118.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1427.778967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.778967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.778967 (E_RNA)
where:
Base-Base interactions energy: -931.707
where: short stacking energy: -401.782
Base-Backbone interact. energy: -4.432
local terms energy: -491.640438
where:
bonds (distance) C4'-P energy: -94.388
bonds (distance) P-C4' energy: -110.231
flat angles C4'-P-C4' energy: -126.470
flat angles P-C4'-P energy: -70.925
tors. eta vs tors. theta energy: -89.626
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: 1
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1070.566673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.566673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.566673 (E_RNA)
where:
Base-Base interactions energy: -654.931
where: short stacking energy: -263.117
Base-Backbone interact. energy: -1.524
local terms energy: -414.111243
where:
bonds (distance) C4'-P energy: -104.459
bonds (distance) P-C4' energy: -108.909
flat angles C4'-P-C4' energy: -87.026
flat angles P-C4'-P energy: -68.829
tors. eta vs tors. theta energy: -44.888
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: 313
Temperature: 1.250000
Total energy: -867.591795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.591795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.591795 (E_RNA)
where:
Base-Base interactions energy: -461.465
where: short stacking energy: -253.373
Base-Backbone interact. energy: -2.417
local terms energy: -403.709965
where:
bonds (distance) C4'-P energy: -110.264
bonds (distance) P-C4' energy: -97.174
flat angles C4'-P-C4' energy: -94.942
flat angles P-C4'-P energy: -71.229
tors. eta vs tors. theta energy: -30.101
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: 9, replica: 2
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -675.116576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.116576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.116576 (E_RNA)
where:
Base-Base interactions energy: -350.756
where: short stacking energy: -204.772
Base-Backbone interact. energy: 0.626
local terms energy: -324.986891
where:
bonds (distance) C4'-P energy: -84.519
bonds (distance) P-C4' energy: -106.421
flat angles C4'-P-C4' energy: -80.232
flat angles P-C4'-P energy: -50.202
tors. eta vs tors. theta energy: -3.613
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: 10, replica: 6
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -538.309871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.309871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.309871 (E_RNA)
where:
Base-Base interactions energy: -245.676
where: short stacking energy: -175.667
Base-Backbone interact. energy: -0.406
local terms energy: -292.227754
where:
bonds (distance) C4'-P energy: -94.027
bonds (distance) P-C4' energy: -95.287
flat angles C4'-P-C4' energy: -85.116
flat angles P-C4'-P energy: -15.838
tors. eta vs tors. theta energy: -1.959
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: 8
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -2131.807774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.807774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.807774 (E_RNA)
where:
Base-Base interactions energy: -1460.114
where: short stacking energy: -609.817
Base-Backbone interact. energy: 0.367
local terms energy: -672.061444
where:
bonds (distance) C4'-P energy: -122.166
bonds (distance) P-C4' energy: -119.574
flat angles C4'-P-C4' energy: -140.399
flat angles P-C4'-P energy: -91.662
tors. eta vs tors. theta energy: -198.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1999.738448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.738448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.738448 (E_RNA)
where:
Base-Base interactions energy: -1363.827
where: short stacking energy: -582.749
Base-Backbone interact. energy: 0.080
local terms energy: -635.991320
where:
bonds (distance) C4'-P energy: -105.957
bonds (distance) P-C4' energy: -118.425
flat angles C4'-P-C4' energy: -126.897
flat angles P-C4'-P energy: -96.739
tors. eta vs tors. theta energy: -187.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1899.057874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.057874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.057874 (E_RNA)
where:
Base-Base interactions energy: -1304.462
where: short stacking energy: -514.809
Base-Backbone interact. energy: -0.850
local terms energy: -593.745945
where:
bonds (distance) C4'-P energy: -107.484
bonds (distance) P-C4' energy: -101.232
flat angles C4'-P-C4' energy: -134.648
flat angles P-C4'-P energy: -94.161
tors. eta vs tors. theta energy: -156.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1811.374074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.374074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.374074 (E_RNA)
where:
Base-Base interactions energy: -1250.440
where: short stacking energy: -517.580
Base-Backbone interact. energy: -4.283
local terms energy: -556.650642
where:
bonds (distance) C4'-P energy: -108.100
bonds (distance) P-C4' energy: -100.576
flat angles C4'-P-C4' energy: -121.872
flat angles P-C4'-P energy: -65.640
tors. eta vs tors. theta energy: -160.463
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: 5, replica: 10
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -1648.146790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.146790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.146790 (E_RNA)
where:
Base-Base interactions energy: -1133.482
where: short stacking energy: -468.396
Base-Backbone interact. energy: -1.914
local terms energy: -512.751430
where:
bonds (distance) C4'-P energy: -100.987
bonds (distance) P-C4' energy: -105.762
flat angles C4'-P-C4' energy: -112.508
flat angles P-C4'-P energy: -73.050
tors. eta vs tors. theta energy: -120.444
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: 3
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -1435.396457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.396457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.396457 (E_RNA)
where:
Base-Base interactions energy: -948.931
where: short stacking energy: -406.337
Base-Backbone interact. energy: -1.948
local terms energy: -484.517512
where:
bonds (distance) C4'-P energy: -104.911
bonds (distance) P-C4' energy: -101.645
flat angles C4'-P-C4' energy: -112.935
flat angles P-C4'-P energy: -64.955
tors. eta vs tors. theta energy: -100.071
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: 314
Temperature: 1.200000
Total energy: -1059.932761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.932761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.932761 (E_RNA)
where:
Base-Base interactions energy: -649.504
where: short stacking energy: -287.866
Base-Backbone interact. energy: -1.573
local terms energy: -408.855870
where:
bonds (distance) C4'-P energy: -73.919
bonds (distance) P-C4' energy: -105.965
flat angles C4'-P-C4' energy: -111.134
flat angles P-C4'-P energy: -52.259
tors. eta vs tors. theta energy: -65.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -886.452569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.452569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.452569 (E_RNA)
where:
Base-Base interactions energy: -508.968
where: short stacking energy: -280.271
Base-Backbone interact. energy: 3.053
local terms energy: -380.537954
where:
bonds (distance) C4'-P energy: -97.384
bonds (distance) P-C4' energy: -97.208
flat angles C4'-P-C4' energy: -97.593
flat angles P-C4'-P energy: -38.955
tors. eta vs tors. theta energy: -49.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -703.009124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.009124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.009124 (E_RNA)
where:
Base-Base interactions energy: -362.112
where: short stacking energy: -209.064
Base-Backbone interact. energy: 0.345
local terms energy: -341.241612
where:
bonds (distance) C4'-P energy: -80.153
bonds (distance) P-C4' energy: -99.321
flat angles C4'-P-C4' energy: -76.394
flat angles P-C4'-P energy: -67.385
tors. eta vs tors. theta energy: -17.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -580.981970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.981970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.981970 (E_RNA)
where:
Base-Base interactions energy: -248.774
where: short stacking energy: -156.387
Base-Backbone interact. energy: 1.532
local terms energy: -333.739700
where:
bonds (distance) C4'-P energy: -92.859
bonds (distance) P-C4' energy: -108.119
flat angles C4'-P-C4' energy: -85.129
flat angles P-C4'-P energy: -54.797
tors. eta vs tors. theta energy: 7.164
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: 1, replica: 8
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -2159.233286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.233286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.233286 (E_RNA)
where:
Base-Base interactions energy: -1487.430
where: short stacking energy: -618.051
Base-Backbone interact. energy: -0.776
local terms energy: -671.027471
where:
bonds (distance) C4'-P energy: -124.845
bonds (distance) P-C4' energy: -132.651
flat angles C4'-P-C4' energy: -127.373
flat angles P-C4'-P energy: -94.806
tors. eta vs tors. theta energy: -191.353
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: 2, replica: 7
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1989.921474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.921474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.921474 (E_RNA)
where:
Base-Base interactions energy: -1375.248
where: short stacking energy: -586.245
Base-Backbone interact. energy: -1.761
local terms energy: -612.912057
where:
bonds (distance) C4'-P energy: -113.774
bonds (distance) P-C4' energy: -115.947
flat angles C4'-P-C4' energy: -123.675
flat angles P-C4'-P energy: -73.644
tors. eta vs tors. theta energy: -185.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1924.846055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.846055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.846055 (E_RNA)
where:
Base-Base interactions energy: -1329.108
where: short stacking energy: -558.570
Base-Backbone interact. energy: 2.335
local terms energy: -598.073348
where:
bonds (distance) C4'-P energy: -101.790
bonds (distance) P-C4' energy: -111.512
flat angles C4'-P-C4' energy: -127.167
flat angles P-C4'-P energy: -90.255
tors. eta vs tors. theta energy: -167.349
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: 9
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1805.871378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.871378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.871378 (E_RNA)
where:
Base-Base interactions energy: -1246.538
where: short stacking energy: -504.112
Base-Backbone interact. energy: -0.421
local terms energy: -558.912548
where:
bonds (distance) C4'-P energy: -97.803
bonds (distance) P-C4' energy: -99.599
flat angles C4'-P-C4' energy: -124.305
flat angles P-C4'-P energy: -90.885
tors. eta vs tors. theta energy: -146.320
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: 10
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -1712.026427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.026427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.026427 (E_RNA)
where:
Base-Base interactions energy: -1171.532
where: short stacking energy: -484.719
Base-Backbone interact. energy: -3.111
local terms energy: -537.383984
where:
bonds (distance) C4'-P energy: -111.828
bonds (distance) P-C4' energy: -78.205
flat angles C4'-P-C4' energy: -122.025
flat angles P-C4'-P energy: -89.670
tors. eta vs tors. theta energy: -135.655
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: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -1456.703523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.703523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.703523 (E_RNA)
where:
Base-Base interactions energy: -946.498
where: short stacking energy: -422.607
Base-Backbone interact. energy: -4.881
local terms energy: -505.323723
where:
bonds (distance) C4'-P energy: -97.599
bonds (distance) P-C4' energy: -107.813
flat angles C4'-P-C4' energy: -120.366
flat angles P-C4'-P energy: -71.599
tors. eta vs tors. theta energy: -107.947
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: 1
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1037.018898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.018898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.018898 (E_RNA)
where:
Base-Base interactions energy: -625.704
where: short stacking energy: -278.465
Base-Backbone interact. energy: -0.382
local terms energy: -410.932205
where:
bonds (distance) C4'-P energy: -107.541
bonds (distance) P-C4' energy: -108.710
flat angles C4'-P-C4' energy: -89.970
flat angles P-C4'-P energy: -49.396
tors. eta vs tors. theta energy: -55.315
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: 315
Temperature: 1.250000
Total energy: -887.995454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.995454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.995454 (E_RNA)
where:
Base-Base interactions energy: -523.471
where: short stacking energy: -288.446
Base-Backbone interact. energy: 2.276
local terms energy: -366.800584
where:
bonds (distance) C4'-P energy: -102.078
bonds (distance) P-C4' energy: -73.631
flat angles C4'-P-C4' energy: -82.889
flat angles P-C4'-P energy: -54.249
tors. eta vs tors. theta energy: -53.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -651.334584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.334584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.334584 (E_RNA)
where:
Base-Base interactions energy: -344.577
where: short stacking energy: -171.380
Base-Backbone interact. energy: -3.153
local terms energy: -303.603876
where:
bonds (distance) C4'-P energy: -85.857
bonds (distance) P-C4' energy: -94.995
flat angles C4'-P-C4' energy: -89.636
flat angles P-C4'-P energy: -42.781
tors. eta vs tors. theta energy: 9.664
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: 6
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -557.396345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.396345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.396345 (E_RNA)
where:
Base-Base interactions energy: -246.947
where: short stacking energy: -145.550
Base-Backbone interact. energy: 0.918
local terms energy: -311.367745
where:
bonds (distance) C4'-P energy: -81.537
bonds (distance) P-C4' energy: -97.235
flat angles C4'-P-C4' energy: -96.259
flat angles P-C4'-P energy: -37.028
tors. eta vs tors. theta energy: 0.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -2139.249089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.249089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.249089 (E_RNA)
where:
Base-Base interactions energy: -1482.194
where: short stacking energy: -597.349
Base-Backbone interact. energy: -0.544
local terms energy: -656.511641
where:
bonds (distance) C4'-P energy: -128.127
bonds (distance) P-C4' energy: -111.583
flat angles C4'-P-C4' energy: -138.193
flat angles P-C4'-P energy: -90.991
tors. eta vs tors. theta energy: -187.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -2029.048980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.048980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.048980 (E_RNA)
where:
Base-Base interactions energy: -1407.997
where: short stacking energy: -585.232
Base-Backbone interact. energy: -0.260
local terms energy: -620.791991
where:
bonds (distance) C4'-P energy: -110.659
bonds (distance) P-C4' energy: -111.345
flat angles C4'-P-C4' energy: -128.799
flat angles P-C4'-P energy: -85.397
tors. eta vs tors. theta energy: -184.592
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: 3, replica: 4
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1935.357603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.357603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.357603 (E_RNA)
where:
Base-Base interactions energy: -1346.105
where: short stacking energy: -540.170
Base-Backbone interact. energy: 2.014
local terms energy: -591.266129
where:
bonds (distance) C4'-P energy: -107.080
bonds (distance) P-C4' energy: -108.057
flat angles C4'-P-C4' energy: -125.132
flat angles P-C4'-P energy: -94.299
tors. eta vs tors. theta energy: -156.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -1811.265695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.265695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.265695 (E_RNA)
where:
Base-Base interactions energy: -1236.708
where: short stacking energy: -489.513
Base-Backbone interact. energy: 0.964
local terms energy: -575.521877
where:
bonds (distance) C4'-P energy: -114.140
bonds (distance) P-C4' energy: -120.932
flat angles C4'-P-C4' energy: -114.961
flat angles P-C4'-P energy: -85.710
tors. eta vs tors. theta energy: -139.780
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: 5, replica: 10
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -1693.573908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.573908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.573908 (E_RNA)
where:
Base-Base interactions energy: -1137.375
where: short stacking energy: -494.186
Base-Backbone interact. energy: 4.202
local terms energy: -560.401106
where:
bonds (distance) C4'-P energy: -108.818
bonds (distance) P-C4' energy: -110.752
flat angles C4'-P-C4' energy: -120.166
flat angles P-C4'-P energy: -79.754
tors. eta vs tors. theta energy: -140.911
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: 3
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1433.157317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.157317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.157317 (E_RNA)
where:
Base-Base interactions energy: -936.585
where: short stacking energy: -426.503
Base-Backbone interact. energy: 1.410
local terms energy: -497.982312
where:
bonds (distance) C4'-P energy: -92.666
bonds (distance) P-C4' energy: -105.561
flat angles C4'-P-C4' energy: -114.837
flat angles P-C4'-P energy: -69.409
tors. eta vs tors. theta energy: -115.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1060.510455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.510455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.510455 (E_RNA)
where:
Base-Base interactions energy: -672.820
where: short stacking energy: -311.822
Base-Backbone interact. energy: -1.614
local terms energy: -386.075997
where:
bonds (distance) C4'-P energy: -93.995
bonds (distance) P-C4' energy: -86.814
flat angles C4'-P-C4' energy: -87.875
flat angles P-C4'-P energy: -64.030
tors. eta vs tors. theta energy: -53.361
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: 8, replica: 5
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -856.126262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.126262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.126262 (E_RNA)
where:
Base-Base interactions energy: -473.370
where: short stacking energy: -258.571
Base-Backbone interact. energy: -1.143
local terms energy: -381.612991
where:
bonds (distance) C4'-P energy: -87.231
bonds (distance) P-C4' energy: -86.573
flat angles C4'-P-C4' energy: -109.815
flat angles P-C4'-P energy: -54.696
tors. eta vs tors. theta energy: -43.299
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: 2
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -696.516092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.516092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.516092 (E_RNA)
where:
Base-Base interactions energy: -361.471
where: short stacking energy: -205.789
Base-Backbone interact. energy: -1.242
local terms energy: -333.802771
where:
bonds (distance) C4'-P energy: -97.381
bonds (distance) P-C4' energy: -95.414
flat angles C4'-P-C4' energy: -94.371
flat angles P-C4'-P energy: -32.118
tors. eta vs tors. theta energy: -14.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -503.201742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.201742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.201742 (E_RNA)
where:
Base-Base interactions energy: -210.074
where: short stacking energy: -138.382
Base-Backbone interact. energy: -2.142
local terms energy: -290.985522
where:
bonds (distance) C4'-P energy: -84.398
bonds (distance) P-C4' energy: -86.471
flat angles C4'-P-C4' energy: -89.436
flat angles P-C4'-P energy: -45.762
tors. eta vs tors. theta energy: 15.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -2153.392557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.392557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.392557 (E_RNA)
where:
Base-Base interactions energy: -1509.725
where: short stacking energy: -604.278
Base-Backbone interact. energy: -2.209
local terms energy: -641.458517
where:
bonds (distance) C4'-P energy: -109.783
bonds (distance) P-C4' energy: -129.387
flat angles C4'-P-C4' energy: -130.669
flat angles P-C4'-P energy: -88.062
tors. eta vs tors. theta energy: -183.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1970.224717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.224717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.224717 (E_RNA)
where:
Base-Base interactions energy: -1356.521
where: short stacking energy: -554.167
Base-Backbone interact. energy: 1.393
local terms energy: -615.096990
where:
bonds (distance) C4'-P energy: -117.977
bonds (distance) P-C4' energy: -117.385
flat angles C4'-P-C4' energy: -135.127
flat angles P-C4'-P energy: -87.859
tors. eta vs tors. theta energy: -156.750
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: 7
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1988.369722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.369722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.369722 (E_RNA)
where:
Base-Base interactions energy: -1356.453
where: short stacking energy: -581.504
Base-Backbone interact. energy: -0.435
local terms energy: -631.481883
where:
bonds (distance) C4'-P energy: -106.296
bonds (distance) P-C4' energy: -107.055
flat angles C4'-P-C4' energy: -129.680
flat angles P-C4'-P energy: -104.120
tors. eta vs tors. theta energy: -184.331
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: 4, replica: 9
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1828.508567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.508567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.508567 (E_RNA)
where:
Base-Base interactions energy: -1256.357
where: short stacking energy: -497.926
Base-Backbone interact. energy: -3.683
local terms energy: -568.469039
where:
bonds (distance) C4'-P energy: -100.791
bonds (distance) P-C4' energy: -100.905
flat angles C4'-P-C4' energy: -119.659
flat angles P-C4'-P energy: -89.117
tors. eta vs tors. theta energy: -157.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1678.013026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.013026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.013026 (E_RNA)
where:
Base-Base interactions energy: -1156.514
where: short stacking energy: -477.863
Base-Backbone interact. energy: 1.075
local terms energy: -522.573719
where:
bonds (distance) C4'-P energy: -99.039
bonds (distance) P-C4' energy: -97.345
flat angles C4'-P-C4' energy: -111.355
flat angles P-C4'-P energy: -76.084
tors. eta vs tors. theta energy: -138.750
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: 3
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1429.237433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.237433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.237433 (E_RNA)
where:
Base-Base interactions energy: -933.391
where: short stacking energy: -417.300
Base-Backbone interact. energy: 1.414
local terms energy: -497.260871
where:
bonds (distance) C4'-P energy: -107.094
bonds (distance) P-C4' energy: -107.768
flat angles C4'-P-C4' energy: -110.366
flat angles P-C4'-P energy: -61.444
tors. eta vs tors. theta energy: -110.589
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: 317
Temperature: 1.200000
Total energy: -1088.227145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.227145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.227145 (E_RNA)
where:
Base-Base interactions energy: -678.802
where: short stacking energy: -298.859
Base-Backbone interact. energy: -1.529
local terms energy: -407.896878
where:
bonds (distance) C4'-P energy: -85.866
bonds (distance) P-C4' energy: -112.188
flat angles C4'-P-C4' energy: -101.707
flat angles P-C4'-P energy: -57.727
tors. eta vs tors. theta energy: -50.408
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: 8, replica: 5
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -852.786886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.786886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.786886 (E_RNA)
where:
Base-Base interactions energy: -463.013
where: short stacking energy: -252.125
Base-Backbone interact. energy: 1.572
local terms energy: -391.346498
where:
bonds (distance) C4'-P energy: -91.401
bonds (distance) P-C4' energy: -109.924
flat angles C4'-P-C4' energy: -86.650
flat angles P-C4'-P energy: -59.452
tors. eta vs tors. theta energy: -43.919
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: 2
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -677.760492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.760492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.760492 (E_RNA)
where:
Base-Base interactions energy: -331.340
where: short stacking energy: -205.784
Base-Backbone interact. energy: -0.010
local terms energy: -346.410900
where:
bonds (distance) C4'-P energy: -93.449
bonds (distance) P-C4' energy: -107.800
flat angles C4'-P-C4' energy: -84.196
flat angles P-C4'-P energy: -49.507
tors. eta vs tors. theta energy: -11.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -523.775690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.775690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.775690 (E_RNA)
where:
Base-Base interactions energy: -231.860
where: short stacking energy: -146.018
Base-Backbone interact. energy: 5.093
local terms energy: -297.008046
where:
bonds (distance) C4'-P energy: -95.972
bonds (distance) P-C4' energy: -100.513
flat angles C4'-P-C4' energy: -76.911
flat angles P-C4'-P energy: -44.116
tors. eta vs tors. theta energy: 20.503
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: 8
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -2142.119143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.119143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.119143 (E_RNA)
where:
Base-Base interactions energy: -1490.831
where: short stacking energy: -604.806
Base-Backbone interact. energy: -2.794
local terms energy: -648.493513
where:
bonds (distance) C4'-P energy: -120.634
bonds (distance) P-C4' energy: -115.286
flat angles C4'-P-C4' energy: -133.316
flat angles P-C4'-P energy: -89.357
tors. eta vs tors. theta energy: -189.901
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: 4
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1988.611041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.611041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.611041 (E_RNA)
where:
Base-Base interactions energy: -1369.963
where: short stacking energy: -550.696
Base-Backbone interact. energy: -3.919
local terms energy: -614.729266
where:
bonds (distance) C4'-P energy: -109.188
bonds (distance) P-C4' energy: -115.674
flat angles C4'-P-C4' energy: -131.377
flat angles P-C4'-P energy: -88.584
tors. eta vs tors. theta energy: -169.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -1977.707590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.707590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.707590 (E_RNA)
where:
Base-Base interactions energy: -1391.192
where: short stacking energy: -577.557
Base-Backbone interact. energy: -1.531
local terms energy: -584.984737
where:
bonds (distance) C4'-P energy: -93.271
bonds (distance) P-C4' energy: -103.895
flat angles C4'-P-C4' energy: -130.609
flat angles P-C4'-P energy: -78.932
tors. eta vs tors. theta energy: -178.277
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: 318
Temperature: 1.050000
Total energy: -1798.215970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.215970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.215970 (E_RNA)
where:
Base-Base interactions energy: -1254.873
where: short stacking energy: -498.731
Base-Backbone interact. energy: -0.224
local terms energy: -543.119268
where:
bonds (distance) C4'-P energy: -105.813
bonds (distance) P-C4' energy: -110.334
flat angles C4'-P-C4' energy: -122.845
flat angles P-C4'-P energy: -71.301
tors. eta vs tors. theta energy: -132.827
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: 5, replica: 10
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -1679.717176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.717176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.717176 (E_RNA)
where:
Base-Base interactions energy: -1141.128
where: short stacking energy: -507.230
Base-Backbone interact. energy: 0.592
local terms energy: -539.181171
where:
bonds (distance) C4'-P energy: -113.178
bonds (distance) P-C4' energy: -103.065
flat angles C4'-P-C4' energy: -107.454
flat angles P-C4'-P energy: -74.692
tors. eta vs tors. theta energy: -140.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1469.785816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.785816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.785816 (E_RNA)
where:
Base-Base interactions energy: -939.667
where: short stacking energy: -410.740
Base-Backbone interact. energy: -0.837
local terms energy: -529.281238
where:
bonds (distance) C4'-P energy: -117.972
bonds (distance) P-C4' energy: -112.839
flat angles C4'-P-C4' energy: -110.755
flat angles P-C4'-P energy: -79.596
tors. eta vs tors. theta energy: -108.119
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: 1
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -1114.817894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.817894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.817894 (E_RNA)
where:
Base-Base interactions energy: -698.421
where: short stacking energy: -315.691
Base-Backbone interact. energy: 3.528
local terms energy: -419.925328
where:
bonds (distance) C4'-P energy: -109.140
bonds (distance) P-C4' energy: -119.789
flat angles C4'-P-C4' energy: -81.579
flat angles P-C4'-P energy: -50.180
tors. eta vs tors. theta energy: -59.237
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: 5
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -830.263405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.263405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.263405 (E_RNA)
where:
Base-Base interactions energy: -484.185
where: short stacking energy: -257.142
Base-Backbone interact. energy: -2.126
local terms energy: -343.952077
where:
bonds (distance) C4'-P energy: -87.799
bonds (distance) P-C4' energy: -100.538
flat angles C4'-P-C4' energy: -103.050
flat angles P-C4'-P energy: -35.049
tors. eta vs tors. theta energy: -17.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -698.201169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.201169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.201169 (E_RNA)
where:
Base-Base interactions energy: -377.159
where: short stacking energy: -246.808
Base-Backbone interact. energy: 5.477
local terms energy: -326.519010
where:
bonds (distance) C4'-P energy: -87.105
bonds (distance) P-C4' energy: -87.936
flat angles C4'-P-C4' energy: -84.809
flat angles P-C4'-P energy: -50.760
tors. eta vs tors. theta energy: -15.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -510.598551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.598551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.598551 (E_RNA)
where:
Base-Base interactions energy: -219.149
where: short stacking energy: -141.507
Base-Backbone interact. energy: 0.521
local terms energy: -291.970823
where:
bonds (distance) C4'-P energy: -83.628
bonds (distance) P-C4' energy: -87.361
flat angles C4'-P-C4' energy: -90.648
flat angles P-C4'-P energy: -46.391
tors. eta vs tors. theta energy: 16.058
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: 1, replica: 8
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -2155.652393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.652393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.652393 (E_RNA)
where:
Base-Base interactions energy: -1495.993
where: short stacking energy: -646.831
Base-Backbone interact. energy: -2.859
local terms energy: -656.800364
where:
bonds (distance) C4'-P energy: -109.875
bonds (distance) P-C4' energy: -124.859
flat angles C4'-P-C4' energy: -132.601
flat angles P-C4'-P energy: -93.045
tors. eta vs tors. theta energy: -196.420
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: 319
Temperature: 0.950000
Total energy: -2017.032721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.032721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.032721 (E_RNA)
where:
Base-Base interactions energy: -1404.816
where: short stacking energy: -552.237
Base-Backbone interact. energy: -1.388
local terms energy: -610.828648
where:
bonds (distance) C4'-P energy: -105.343
bonds (distance) P-C4' energy: -108.983
flat angles C4'-P-C4' energy: -133.613
flat angles P-C4'-P energy: -96.790
tors. eta vs tors. theta energy: -166.100
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: 7
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1982.890331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.890331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.890331 (E_RNA)
where:
Base-Base interactions energy: -1371.939
where: short stacking energy: -589.690
Base-Backbone interact. energy: 1.193
local terms energy: -612.143792
where:
bonds (distance) C4'-P energy: -106.333
bonds (distance) P-C4' energy: -97.554
flat angles C4'-P-C4' energy: -138.945
flat angles P-C4'-P energy: -76.715
tors. eta vs tors. theta energy: -192.597
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: 9
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -1806.332423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.332423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.332423 (E_RNA)
where:
Base-Base interactions energy: -1235.998
where: short stacking energy: -525.691
Base-Backbone interact. energy: -1.420
local terms energy: -568.914326
where:
bonds (distance) C4'-P energy: -108.820
bonds (distance) P-C4' energy: -108.914
flat angles C4'-P-C4' energy: -136.443
flat angles P-C4'-P energy: -64.193
tors. eta vs tors. theta energy: -150.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -1655.468687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.468687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.468687 (E_RNA)
where:
Base-Base interactions energy: -1121.859
where: short stacking energy: -476.262
Base-Backbone interact. energy: 1.937
local terms energy: -535.546386
where:
bonds (distance) C4'-P energy: -119.155
bonds (distance) P-C4' energy: -102.784
flat angles C4'-P-C4' energy: -123.413
flat angles P-C4'-P energy: -69.030
tors. eta vs tors. theta energy: -121.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1470.270055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.270055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.270055 (E_RNA)
where:
Base-Base interactions energy: -968.431
where: short stacking energy: -427.754
Base-Backbone interact. energy: -0.389
local terms energy: -501.449228
where:
bonds (distance) C4'-P energy: -102.898
bonds (distance) P-C4' energy: -104.239
flat angles C4'-P-C4' energy: -113.035
flat angles P-C4'-P energy: -70.050
tors. eta vs tors. theta energy: -111.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1130.668548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.668548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.668548 (E_RNA)
where:
Base-Base interactions energy: -684.252
where: short stacking energy: -310.458
Base-Backbone interact. energy: -2.130
local terms energy: -444.285842
where:
bonds (distance) C4'-P energy: -94.224
bonds (distance) P-C4' energy: -118.698
flat angles C4'-P-C4' energy: -93.794
flat angles P-C4'-P energy: -72.433
tors. eta vs tors. theta energy: -65.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -892.737329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.737329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.737329 (E_RNA)
where:
Base-Base interactions energy: -515.022
where: short stacking energy: -273.363
Base-Backbone interact. energy: 0.135
local terms energy: -377.850178
where:
bonds (distance) C4'-P energy: -94.901
bonds (distance) P-C4' energy: -102.150
flat angles C4'-P-C4' energy: -97.198
flat angles P-C4'-P energy: -45.486
tors. eta vs tors. theta energy: -38.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -657.070138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.070138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.070138 (E_RNA)
where:
Base-Base interactions energy: -317.638
where: short stacking energy: -175.756
Base-Backbone interact. energy: 2.205
local terms energy: -341.636565
where:
bonds (distance) C4'-P energy: -95.523
bonds (distance) P-C4' energy: -102.735
flat angles C4'-P-C4' energy: -95.184
flat angles P-C4'-P energy: -50.966
tors. eta vs tors. theta energy: 2.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -450.853928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.853928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.853928 (E_RNA)
where:
Base-Base interactions energy: -133.335
where: short stacking energy: -110.748
Base-Backbone interact. energy: -0.705
local terms energy: -316.813713
where:
bonds (distance) C4'-P energy: -98.399
bonds (distance) P-C4' energy: -105.139
flat angles C4'-P-C4' energy: -90.792
flat angles P-C4'-P energy: -40.576
tors. eta vs tors. theta energy: 18.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -2161.097520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.097520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.097520 (E_RNA)
where:
Base-Base interactions energy: -1518.700
where: short stacking energy: -623.546
Base-Backbone interact. energy: -3.320
local terms energy: -639.078253
where:
bonds (distance) C4'-P energy: -117.246
bonds (distance) P-C4' energy: -111.364
flat angles C4'-P-C4' energy: -135.888
flat angles P-C4'-P energy: -80.601
tors. eta vs tors. theta energy: -193.980
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: 4
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1992.528155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.528155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.528155 (E_RNA)
where:
Base-Base interactions energy: -1381.641
where: short stacking energy: -578.546
Base-Backbone interact. energy: 3.060
local terms energy: -613.947299
where:
bonds (distance) C4'-P energy: -110.045
bonds (distance) P-C4' energy: -114.060
flat angles C4'-P-C4' energy: -126.881
flat angles P-C4'-P energy: -96.268
tors. eta vs tors. theta energy: -166.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1981.629641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.629641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.629641 (E_RNA)
where:
Base-Base interactions energy: -1369.320
where: short stacking energy: -594.335
Base-Backbone interact. energy: -2.038
local terms energy: -610.271361
where:
bonds (distance) C4'-P energy: -111.105
bonds (distance) P-C4' energy: -110.087
flat angles C4'-P-C4' energy: -133.445
flat angles P-C4'-P energy: -73.173
tors. eta vs tors. theta energy: -182.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1754.770760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.770760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.770760 (E_RNA)
where:
Base-Base interactions energy: -1197.583
where: short stacking energy: -496.138
Base-Backbone interact. energy: -3.863
local terms energy: -553.324545
where:
bonds (distance) C4'-P energy: -101.367
bonds (distance) P-C4' energy: -111.163
flat angles C4'-P-C4' energy: -130.834
flat angles P-C4'-P energy: -79.704
tors. eta vs tors. theta energy: -130.257
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: 10
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1679.044929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.044929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.044929 (E_RNA)
where:
Base-Base interactions energy: -1136.844
where: short stacking energy: -480.810
Base-Backbone interact. energy: -0.051
local terms energy: -542.150350
where:
bonds (distance) C4'-P energy: -113.746
bonds (distance) P-C4' energy: -105.206
flat angles C4'-P-C4' energy: -119.651
flat angles P-C4'-P energy: -73.573
tors. eta vs tors. theta energy: -129.975
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: 6, replica: 3
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1465.716728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.716728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.716728 (E_RNA)
where:
Base-Base interactions energy: -962.857
where: short stacking energy: -432.235
Base-Backbone interact. energy: -1.350
local terms energy: -501.509778
where:
bonds (distance) C4'-P energy: -86.878
bonds (distance) P-C4' energy: -104.644
flat angles C4'-P-C4' energy: -118.090
flat angles P-C4'-P energy: -73.334
tors. eta vs tors. theta energy: -118.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1185.377658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.377658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.377658 (E_RNA)
where:
Base-Base interactions energy: -716.142
where: short stacking energy: -327.559
Base-Backbone interact. energy: -0.346
local terms energy: -468.889687
where:
bonds (distance) C4'-P energy: -87.396
bonds (distance) P-C4' energy: -125.402
flat angles C4'-P-C4' energy: -100.131
flat angles P-C4'-P energy: -77.223
tors. eta vs tors. theta energy: -78.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -837.814845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.814845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.814845 (E_RNA)
where:
Base-Base interactions energy: -456.745
where: short stacking energy: -258.196
Base-Backbone interact. energy: 5.174
local terms energy: -386.244155
where:
bonds (distance) C4'-P energy: -100.609
bonds (distance) P-C4' energy: -110.830
flat angles C4'-P-C4' energy: -97.175
flat angles P-C4'-P energy: -36.882
tors. eta vs tors. theta energy: -40.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -692.843568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.843568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.843568 (E_RNA)
where:
Base-Base interactions energy: -364.418
where: short stacking energy: -195.086
Base-Backbone interact. energy: 2.915
local terms energy: -331.340176
where:
bonds (distance) C4'-P energy: -85.869
bonds (distance) P-C4' energy: -87.288
flat angles C4'-P-C4' energy: -92.167
flat angles P-C4'-P energy: -47.628
tors. eta vs tors. theta energy: -18.388
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: 6
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -451.838827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.838827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.838827 (E_RNA)
where:
Base-Base interactions energy: -146.437
where: short stacking energy: -115.756
Base-Backbone interact. energy: 3.112
local terms energy: -308.513922
where:
bonds (distance) C4'-P energy: -96.672
bonds (distance) P-C4' energy: -88.685
flat angles C4'-P-C4' energy: -75.685
flat angles P-C4'-P energy: -47.629
tors. eta vs tors. theta energy: 0.157
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: 8
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -2166.431045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.431045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.431045 (E_RNA)
where:
Base-Base interactions energy: -1508.877
where: short stacking energy: -645.023
Base-Backbone interact. energy: -3.978
local terms energy: -653.576296
where:
bonds (distance) C4'-P energy: -118.624
bonds (distance) P-C4' energy: -117.601
flat angles C4'-P-C4' energy: -139.625
flat angles P-C4'-P energy: -83.226
tors. eta vs tors. theta energy: -194.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -2019.375166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.375166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.375166 (E_RNA)
where:
Base-Base interactions energy: -1400.915
where: short stacking energy: -618.026
Base-Backbone interact. energy: -2.847
local terms energy: -615.613030
where:
bonds (distance) C4'-P energy: -105.028
bonds (distance) P-C4' energy: -109.479
flat angles C4'-P-C4' energy: -125.517
flat angles P-C4'-P energy: -81.473
tors. eta vs tors. theta energy: -194.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1937.277536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.277536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.277536 (E_RNA)
where:
Base-Base interactions energy: -1349.023
where: short stacking energy: -557.656
Base-Backbone interact. energy: 5.411
local terms energy: -593.665682
where:
bonds (distance) C4'-P energy: -103.500
bonds (distance) P-C4' energy: -111.075
flat angles C4'-P-C4' energy: -134.302
flat angles P-C4'-P energy: -87.279
tors. eta vs tors. theta energy: -157.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1778.591379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.591379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.591379 (E_RNA)
where:
Base-Base interactions energy: -1246.363
where: short stacking energy: -498.879
Base-Backbone interact. energy: -1.535
local terms energy: -530.693873
where:
bonds (distance) C4'-P energy: -83.809
bonds (distance) P-C4' energy: -114.782
flat angles C4'-P-C4' energy: -111.567
flat angles P-C4'-P energy: -71.406
tors. eta vs tors. theta energy: -149.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1674.457248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.457248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.457248 (E_RNA)
where:
Base-Base interactions energy: -1134.522
where: short stacking energy: -499.200
Base-Backbone interact. energy: -0.700
local terms energy: -539.235375
where:
bonds (distance) C4'-P energy: -107.673
bonds (distance) P-C4' energy: -98.443
flat angles C4'-P-C4' energy: -124.409
flat angles P-C4'-P energy: -77.581
tors. eta vs tors. theta energy: -131.130
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: 6, replica: 3
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1510.325558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.325558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.325558 (E_RNA)
where:
Base-Base interactions energy: -986.695
where: short stacking energy: -413.834
Base-Backbone interact. energy: 0.108
local terms energy: -523.738532
where:
bonds (distance) C4'-P energy: -101.930
bonds (distance) P-C4' energy: -106.679
flat angles C4'-P-C4' energy: -121.345
flat angles P-C4'-P energy: -74.522
tors. eta vs tors. theta energy: -119.262
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: 321
Temperature: 1.200000
Total energy: -1172.970480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.970480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.970480 (E_RNA)
where:
Base-Base interactions energy: -741.483
where: short stacking energy: -310.746
Base-Backbone interact. energy: -1.688
local terms energy: -429.799344
where:
bonds (distance) C4'-P energy: -99.868
bonds (distance) P-C4' energy: -105.877
flat angles C4'-P-C4' energy: -93.613
flat angles P-C4'-P energy: -62.704
tors. eta vs tors. theta energy: -67.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -831.688835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.688835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.688835 (E_RNA)
where:
Base-Base interactions energy: -439.105
where: short stacking energy: -245.846
Base-Backbone interact. energy: -2.281
local terms energy: -390.302087
where:
bonds (distance) C4'-P energy: -101.458
bonds (distance) P-C4' energy: -102.434
flat angles C4'-P-C4' energy: -107.011
flat angles P-C4'-P energy: -44.941
tors. eta vs tors. theta energy: -34.459
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: 2
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -659.014015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.014015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.014015 (E_RNA)
where:
Base-Base interactions energy: -344.939
where: short stacking energy: -167.864
Base-Backbone interact. energy: -1.718
local terms energy: -312.357656
where:
bonds (distance) C4'-P energy: -91.082
bonds (distance) P-C4' energy: -102.266
flat angles C4'-P-C4' energy: -68.786
flat angles P-C4'-P energy: -63.576
tors. eta vs tors. theta energy: 13.352
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: 10, replica: 6
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -502.532373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.532373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.532373 (E_RNA)
where:
Base-Base interactions energy: -174.970
where: short stacking energy: -115.847
Base-Backbone interact. energy: 3.505
local terms energy: -331.067422
where:
bonds (distance) C4'-P energy: -100.572
bonds (distance) P-C4' energy: -92.965
flat angles C4'-P-C4' energy: -93.280
flat angles P-C4'-P energy: -62.153
tors. eta vs tors. theta energy: 17.902
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: 1, replica: 8
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -2163.714341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.714341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.714341 (E_RNA)
where:
Base-Base interactions energy: -1500.730
where: short stacking energy: -612.274
Base-Backbone interact. energy: -3.288
local terms energy: -659.696799
where:
bonds (distance) C4'-P energy: -121.655
bonds (distance) P-C4' energy: -125.544
flat angles C4'-P-C4' energy: -138.450
flat angles P-C4'-P energy: -90.105
tors. eta vs tors. theta energy: -183.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -2009.639071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.639071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.639071 (E_RNA)
where:
Base-Base interactions energy: -1390.469
where: short stacking energy: -571.343
Base-Backbone interact. energy: -2.202
local terms energy: -616.967289
where:
bonds (distance) C4'-P energy: -116.257
bonds (distance) P-C4' energy: -112.688
flat angles C4'-P-C4' energy: -129.759
flat angles P-C4'-P energy: -88.260
tors. eta vs tors. theta energy: -170.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1931.260110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.260110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.260110 (E_RNA)
where:
Base-Base interactions energy: -1362.330
where: short stacking energy: -546.137
Base-Backbone interact. energy: 3.808
local terms energy: -572.738448
where:
bonds (distance) C4'-P energy: -101.329
bonds (distance) P-C4' energy: -93.261
flat angles C4'-P-C4' energy: -130.602
flat angles P-C4'-P energy: -86.485
tors. eta vs tors. theta energy: -161.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -1772.961478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.961478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.961478 (E_RNA)
where:
Base-Base interactions energy: -1230.968
where: short stacking energy: -498.634
Base-Backbone interact. energy: 0.567
local terms energy: -542.560471
where:
bonds (distance) C4'-P energy: -99.894
bonds (distance) P-C4' energy: -104.510
flat angles C4'-P-C4' energy: -126.386
flat angles P-C4'-P energy: -76.968
tors. eta vs tors. theta energy: -134.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1714.357226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.357226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.357226 (E_RNA)
where:
Base-Base interactions energy: -1188.757
where: short stacking energy: -497.800
Base-Backbone interact. energy: -2.116
local terms energy: -523.484692
where:
bonds (distance) C4'-P energy: -87.781
bonds (distance) P-C4' energy: -100.299
flat angles C4'-P-C4' energy: -108.191
flat angles P-C4'-P energy: -85.684
tors. eta vs tors. theta energy: -141.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1539.230971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.230971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.230971 (E_RNA)
where:
Base-Base interactions energy: -1057.995
where: short stacking energy: -434.052
Base-Backbone interact. energy: 3.472
local terms energy: -484.708089
where:
bonds (distance) C4'-P energy: -101.012
bonds (distance) P-C4' energy: -87.262
flat angles C4'-P-C4' energy: -114.674
flat angles P-C4'-P energy: -72.212
tors. eta vs tors. theta energy: -109.549
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: 7, replica: 1
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1132.853343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.853343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.853343 (E_RNA)
where:
Base-Base interactions energy: -699.485
where: short stacking energy: -342.271
Base-Backbone interact. energy: -0.877
local terms energy: -432.490749
where:
bonds (distance) C4'-P energy: -86.584
bonds (distance) P-C4' energy: -102.532
flat angles C4'-P-C4' energy: -103.909
flat angles P-C4'-P energy: -60.251
tors. eta vs tors. theta energy: -79.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -876.588677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.588677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.588677 (E_RNA)
where:
Base-Base interactions energy: -481.965
where: short stacking energy: -272.300
Base-Backbone interact. energy: 0.063
local terms energy: -394.686808
where:
bonds (distance) C4'-P energy: -97.233
bonds (distance) P-C4' energy: -104.525
flat angles C4'-P-C4' energy: -85.400
flat angles P-C4'-P energy: -71.620
tors. eta vs tors. theta energy: -35.910
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: 2
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -742.254795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.254795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.254795 (E_RNA)
where:
Base-Base interactions energy: -398.155
where: short stacking energy: -213.063
Base-Backbone interact. energy: 0.469
local terms energy: -344.568896
where:
bonds (distance) C4'-P energy: -92.322
bonds (distance) P-C4' energy: -116.921
flat angles C4'-P-C4' energy: -87.679
flat angles P-C4'-P energy: -35.395
tors. eta vs tors. theta energy: -12.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -580.267536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.267536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.267536 (E_RNA)
where:
Base-Base interactions energy: -275.024
where: short stacking energy: -160.449
Base-Backbone interact. energy: 7.511
local terms energy: -312.754249
where:
bonds (distance) C4'-P energy: -97.519
bonds (distance) P-C4' energy: -87.815
flat angles C4'-P-C4' energy: -86.751
flat angles P-C4'-P energy: -52.973
tors. eta vs tors. theta energy: 12.303
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: 8
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -2159.508105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.508105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.508105 (E_RNA)
where:
Base-Base interactions energy: -1507.039
where: short stacking energy: -628.625
Base-Backbone interact. energy: -0.030
local terms energy: -652.439274
where:
bonds (distance) C4'-P energy: -109.633
bonds (distance) P-C4' energy: -123.646
flat angles C4'-P-C4' energy: -134.702
flat angles P-C4'-P energy: -90.548
tors. eta vs tors. theta energy: -193.911
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: 2, replica: 7
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -2022.860173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.860173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.860173 (E_RNA)
where:
Base-Base interactions energy: -1408.523
where: short stacking energy: -584.787
Base-Backbone interact. energy: -0.896
local terms energy: -613.440369
where:
bonds (distance) C4'-P energy: -102.954
bonds (distance) P-C4' energy: -115.091
flat angles C4'-P-C4' energy: -127.553
flat angles P-C4'-P energy: -85.964
tors. eta vs tors. theta energy: -181.879
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: 323
Temperature: 1.000000
Total energy: -1931.066987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.066987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.066987 (E_RNA)
where:
Base-Base interactions energy: -1332.611
where: short stacking energy: -537.306
Base-Backbone interact. energy: 5.052
local terms energy: -603.508620
where:
bonds (distance) C4'-P energy: -131.099
bonds (distance) P-C4' energy: -111.548
flat angles C4'-P-C4' energy: -129.880
flat angles P-C4'-P energy: -74.356
tors. eta vs tors. theta energy: -156.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1779.904785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.904785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.904785 (E_RNA)
where:
Base-Base interactions energy: -1228.689
where: short stacking energy: -486.152
Base-Backbone interact. energy: -1.360
local terms energy: -549.856149
where:
bonds (distance) C4'-P energy: -106.257
bonds (distance) P-C4' energy: -112.288
flat angles C4'-P-C4' energy: -118.850
flat angles P-C4'-P energy: -83.156
tors. eta vs tors. theta energy: -129.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -1657.031445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.031445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.031445 (E_RNA)
where:
Base-Base interactions energy: -1099.913
where: short stacking energy: -475.180
Base-Backbone interact. energy: -2.049
local terms energy: -555.068873
where:
bonds (distance) C4'-P energy: -102.020
bonds (distance) P-C4' energy: -126.162
flat angles C4'-P-C4' energy: -119.979
flat angles P-C4'-P energy: -82.437
tors. eta vs tors. theta energy: -124.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1561.603767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.603767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.603767 (E_RNA)
where:
Base-Base interactions energy: -1046.627
where: short stacking energy: -454.099
Base-Backbone interact. energy: -1.626
local terms energy: -513.351122
where:
bonds (distance) C4'-P energy: -108.247
bonds (distance) P-C4' energy: -83.518
flat angles C4'-P-C4' energy: -116.187
flat angles P-C4'-P energy: -71.769
tors. eta vs tors. theta energy: -133.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1125.465657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.465657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.465657 (E_RNA)
where:
Base-Base interactions energy: -710.051
where: short stacking energy: -317.657
Base-Backbone interact. energy: 0.403
local terms energy: -415.818114
where:
bonds (distance) C4'-P energy: -94.446
bonds (distance) P-C4' energy: -93.367
flat angles C4'-P-C4' energy: -98.305
flat angles P-C4'-P energy: -70.671
tors. eta vs tors. theta energy: -59.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -824.635469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.635469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.635469 (E_RNA)
where:
Base-Base interactions energy: -446.801
where: short stacking energy: -262.157
Base-Backbone interact. energy: -1.393
local terms energy: -376.441638
where:
bonds (distance) C4'-P energy: -85.677
bonds (distance) P-C4' energy: -93.601
flat angles C4'-P-C4' energy: -98.208
flat angles P-C4'-P energy: -56.936
tors. eta vs tors. theta energy: -42.020
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: 2
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -715.944893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.944893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.944893 (E_RNA)
where:
Base-Base interactions energy: -369.605
where: short stacking energy: -204.739
Base-Backbone interact. energy: -0.620
local terms energy: -345.720132
where:
bonds (distance) C4'-P energy: -101.417
bonds (distance) P-C4' energy: -81.447
flat angles C4'-P-C4' energy: -85.827
flat angles P-C4'-P energy: -57.288
tors. eta vs tors. theta energy: -19.741
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: 10, replica: 6
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -528.878990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.878990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.878990 (E_RNA)
where:
Base-Base interactions energy: -234.580
where: short stacking energy: -152.353
Base-Backbone interact. energy: -1.689
local terms energy: -292.609861
where:
bonds (distance) C4'-P energy: -89.704
bonds (distance) P-C4' energy: -98.406
flat angles C4'-P-C4' energy: -79.844
flat angles P-C4'-P energy: -44.022
tors. eta vs tors. theta energy: 19.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -2181.403182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.403182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.403182 (E_RNA)
where:
Base-Base interactions energy: -1529.475
where: short stacking energy: -623.514
Base-Backbone interact. energy: 2.433
local terms energy: -654.360820
where:
bonds (distance) C4'-P energy: -115.330
bonds (distance) P-C4' energy: -116.054
flat angles C4'-P-C4' energy: -137.729
flat angles P-C4'-P energy: -100.855
tors. eta vs tors. theta energy: -184.393
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: 7
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -2034.746365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.746365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.746365 (E_RNA)
where:
Base-Base interactions energy: -1400.622
where: short stacking energy: -570.991
Base-Backbone interact. energy: -2.271
local terms energy: -631.853882
where:
bonds (distance) C4'-P energy: -108.749
bonds (distance) P-C4' energy: -125.521
flat angles C4'-P-C4' energy: -130.352
flat angles P-C4'-P energy: -88.064
tors. eta vs tors. theta energy: -179.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -1938.643601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.643601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.643601 (E_RNA)
where:
Base-Base interactions energy: -1355.176
where: short stacking energy: -538.704
Base-Backbone interact. energy: -3.099
local terms energy: -580.368520
where:
bonds (distance) C4'-P energy: -96.982
bonds (distance) P-C4' energy: -115.018
flat angles C4'-P-C4' energy: -119.233
flat angles P-C4'-P energy: -82.280
tors. eta vs tors. theta energy: -166.855
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: 9
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -1761.027052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.027052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.027052 (E_RNA)
where:
Base-Base interactions energy: -1183.519
where: short stacking energy: -490.444
Base-Backbone interact. energy: -3.065
local terms energy: -574.442929
where:
bonds (distance) C4'-P energy: -94.553
bonds (distance) P-C4' energy: -124.658
flat angles C4'-P-C4' energy: -120.356
flat angles P-C4'-P energy: -83.378
tors. eta vs tors. theta energy: -151.498
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: 5, replica: 10
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -1707.133251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.133251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.133251 (E_RNA)
where:
Base-Base interactions energy: -1164.983
where: short stacking energy: -486.203
Base-Backbone interact. energy: -0.536
local terms energy: -541.613582
where:
bonds (distance) C4'-P energy: -99.155
bonds (distance) P-C4' energy: -118.918
flat angles C4'-P-C4' energy: -115.205
flat angles P-C4'-P energy: -70.496
tors. eta vs tors. theta energy: -137.841
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: 3
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1496.169719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.169719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.169719 (E_RNA)
where:
Base-Base interactions energy: -1019.452
where: short stacking energy: -400.458
Base-Backbone interact. energy: -2.736
local terms energy: -473.981444
where:
bonds (distance) C4'-P energy: -89.294
bonds (distance) P-C4' energy: -101.496
flat angles C4'-P-C4' energy: -115.692
flat angles P-C4'-P energy: -74.010
tors. eta vs tors. theta energy: -93.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1092.000684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.000684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.000684 (E_RNA)
where:
Base-Base interactions energy: -665.626
where: short stacking energy: -302.708
Base-Backbone interact. energy: 1.336
local terms energy: -427.710880
where:
bonds (distance) C4'-P energy: -109.509
bonds (distance) P-C4' energy: -112.590
flat angles C4'-P-C4' energy: -113.702
flat angles P-C4'-P energy: -41.598
tors. eta vs tors. theta energy: -50.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -823.413447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.413447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.413447 (E_RNA)
where:
Base-Base interactions energy: -439.129
where: short stacking energy: -256.100
Base-Backbone interact. energy: 3.240
local terms energy: -387.524609
where:
bonds (distance) C4'-P energy: -76.992
bonds (distance) P-C4' energy: -111.922
flat angles C4'-P-C4' energy: -96.211
flat angles P-C4'-P energy: -66.286
tors. eta vs tors. theta energy: -36.114
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: 2
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -691.679277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.679277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.679277 (E_RNA)
where:
Base-Base interactions energy: -355.964
where: short stacking energy: -174.330
Base-Backbone interact. energy: 1.354
local terms energy: -337.069255
where:
bonds (distance) C4'-P energy: -94.193
bonds (distance) P-C4' energy: -105.146
flat angles C4'-P-C4' energy: -99.268
flat angles P-C4'-P energy: -36.076
tors. eta vs tors. theta energy: -2.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -473.102035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.102035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.102035 (E_RNA)
where:
Base-Base interactions energy: -186.407
where: short stacking energy: -138.813
Base-Backbone interact. energy: 4.270
local terms energy: -290.965082
where:
bonds (distance) C4'-P energy: -90.347
bonds (distance) P-C4' energy: -93.584
flat angles C4'-P-C4' energy: -83.044
flat angles P-C4'-P energy: -38.403
tors. eta vs tors. theta energy: 14.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -2145.693146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.693146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.693146 (E_RNA)
where:
Base-Base interactions energy: -1474.352
where: short stacking energy: -609.510
Base-Backbone interact. energy: 1.542
local terms energy: -672.883011
where:
bonds (distance) C4'-P energy: -123.387
bonds (distance) P-C4' energy: -121.579
flat angles C4'-P-C4' energy: -143.422
flat angles P-C4'-P energy: -91.868
tors. eta vs tors. theta energy: -192.627
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: 2, replica: 7
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -2043.146612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.146612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.146612 (E_RNA)
where:
Base-Base interactions energy: -1421.209
where: short stacking energy: -618.526
Base-Backbone interact. energy: -0.934
local terms energy: -621.003976
where:
bonds (distance) C4'-P energy: -104.589
bonds (distance) P-C4' energy: -119.654
flat angles C4'-P-C4' energy: -119.496
flat angles P-C4'-P energy: -95.422
tors. eta vs tors. theta energy: -181.843
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: 3, replica: 4
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1945.256885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.256885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.256885 (E_RNA)
where:
Base-Base interactions energy: -1337.052
where: short stacking energy: -550.518
Base-Backbone interact. energy: -1.107
local terms energy: -607.097946
where:
bonds (distance) C4'-P energy: -92.588
bonds (distance) P-C4' energy: -116.517
flat angles C4'-P-C4' energy: -132.194
flat angles P-C4'-P energy: -94.488
tors. eta vs tors. theta energy: -171.311
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: 4, replica: 9
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1773.313305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.313305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.313305 (E_RNA)
where:
Base-Base interactions energy: -1216.155
where: short stacking energy: -490.138
Base-Backbone interact. energy: -2.528
local terms energy: -554.630209
where:
bonds (distance) C4'-P energy: -110.681
bonds (distance) P-C4' energy: -97.507
flat angles C4'-P-C4' energy: -115.571
flat angles P-C4'-P energy: -86.896
tors. eta vs tors. theta energy: -143.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -1727.141722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.141722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.141722 (E_RNA)
where:
Base-Base interactions energy: -1185.305
where: short stacking energy: -486.585
Base-Backbone interact. energy: 0.962
local terms energy: -542.799257
where:
bonds (distance) C4'-P energy: -96.078
bonds (distance) P-C4' energy: -115.698
flat angles C4'-P-C4' energy: -109.145
flat angles P-C4'-P energy: -85.896
tors. eta vs tors. theta energy: -135.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1451.216784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.216784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.216784 (E_RNA)
where:
Base-Base interactions energy: -953.167
where: short stacking energy: -434.372
Base-Backbone interact. energy: 5.131
local terms energy: -503.180841
where:
bonds (distance) C4'-P energy: -113.695
bonds (distance) P-C4' energy: -107.223
flat angles C4'-P-C4' energy: -102.593
flat angles P-C4'-P energy: -64.375
tors. eta vs tors. theta energy: -115.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1115.349348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.349348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.349348 (E_RNA)
where:
Base-Base interactions energy: -703.867
where: short stacking energy: -321.038
Base-Backbone interact. energy: 2.385
local terms energy: -413.866750
where:
bonds (distance) C4'-P energy: -93.506
bonds (distance) P-C4' energy: -96.730
flat angles C4'-P-C4' energy: -99.869
flat angles P-C4'-P energy: -52.039
tors. eta vs tors. theta energy: -71.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -821.912942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.912942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.912942 (E_RNA)
where:
Base-Base interactions energy: -456.812
where: short stacking energy: -232.327
Base-Backbone interact. energy: -1.170
local terms energy: -363.930803
where:
bonds (distance) C4'-P energy: -107.646
bonds (distance) P-C4' energy: -101.572
flat angles C4'-P-C4' energy: -82.978
flat angles P-C4'-P energy: -54.590
tors. eta vs tors. theta energy: -17.145
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: 2
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -631.610668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.610668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.610668 (E_RNA)
where:
Base-Base interactions energy: -302.319
where: short stacking energy: -158.949
Base-Backbone interact. energy: 0.158
local terms energy: -329.449080
where:
bonds (distance) C4'-P energy: -98.683
bonds (distance) P-C4' energy: -96.006
flat angles C4'-P-C4' energy: -89.222
flat angles P-C4'-P energy: -54.696
tors. eta vs tors. theta energy: 9.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -466.539937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.539937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.539937 (E_RNA)
where:
Base-Base interactions energy: -146.736
where: short stacking energy: -114.394
Base-Backbone interact. energy: 1.138
local terms energy: -320.942364
where:
bonds (distance) C4'-P energy: -99.460
bonds (distance) P-C4' energy: -94.060
flat angles C4'-P-C4' energy: -82.785
flat angles P-C4'-P energy: -60.357
tors. eta vs tors. theta energy: 15.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -2135.632245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.632245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.632245 (E_RNA)
where:
Base-Base interactions energy: -1471.154
where: short stacking energy: -624.920
Base-Backbone interact. energy: 0.464
local terms energy: -664.941826
where:
bonds (distance) C4'-P energy: -114.814
bonds (distance) P-C4' energy: -129.418
flat angles C4'-P-C4' energy: -137.301
flat angles P-C4'-P energy: -93.307
tors. eta vs tors. theta energy: -190.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -2066.646976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.646976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.646976 (E_RNA)
where:
Base-Base interactions energy: -1432.992
where: short stacking energy: -575.208
Base-Backbone interact. energy: -1.621
local terms energy: -632.033152
where:
bonds (distance) C4'-P energy: -117.768
bonds (distance) P-C4' energy: -118.869
flat angles C4'-P-C4' energy: -132.458
flat angles P-C4'-P energy: -84.230
tors. eta vs tors. theta energy: -178.708
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: 3, replica: 4
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1898.726050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.726050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.726050 (E_RNA)
where:
Base-Base interactions energy: -1328.572
where: short stacking energy: -510.592
Base-Backbone interact. energy: -2.322
local terms energy: -567.831282
where:
bonds (distance) C4'-P energy: -111.472
bonds (distance) P-C4' energy: -96.583
flat angles C4'-P-C4' energy: -119.942
flat angles P-C4'-P energy: -87.050
tors. eta vs tors. theta energy: -152.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1748.294285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.294285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.294285 (E_RNA)
where:
Base-Base interactions energy: -1196.622
where: short stacking energy: -473.608
Base-Backbone interact. energy: 3.529
local terms energy: -555.200773
where:
bonds (distance) C4'-P energy: -99.523
bonds (distance) P-C4' energy: -105.124
flat angles C4'-P-C4' energy: -141.047
flat angles P-C4'-P energy: -76.893
tors. eta vs tors. theta energy: -132.613
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: 10
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -1746.066739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.066739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.066739 (E_RNA)
where:
Base-Base interactions energy: -1191.118
where: short stacking energy: -486.350
Base-Backbone interact. energy: 0.523
local terms energy: -555.471653
where:
bonds (distance) C4'-P energy: -100.339
bonds (distance) P-C4' energy: -113.843
flat angles C4'-P-C4' energy: -122.969
flat angles P-C4'-P energy: -77.323
tors. eta vs tors. theta energy: -140.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -1492.185830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.185830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.185830 (E_RNA)
where:
Base-Base interactions energy: -1024.574
where: short stacking energy: -428.691
Base-Backbone interact. energy: 0.327
local terms energy: -467.938807
where:
bonds (distance) C4'-P energy: -87.983
bonds (distance) P-C4' energy: -109.242
flat angles C4'-P-C4' energy: -103.057
flat angles P-C4'-P energy: -59.424
tors. eta vs tors. theta energy: -108.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1231.991553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.991553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.991553 (E_RNA)
where:
Base-Base interactions energy: -786.244
where: short stacking energy: -339.416
Base-Backbone interact. energy: 2.017
local terms energy: -447.765156
where:
bonds (distance) C4'-P energy: -96.305
bonds (distance) P-C4' energy: -104.339
flat angles C4'-P-C4' energy: -106.882
flat angles P-C4'-P energy: -74.695
tors. eta vs tors. theta energy: -65.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -823.009298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.009298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.009298 (E_RNA)
where:
Base-Base interactions energy: -443.456
where: short stacking energy: -246.876
Base-Backbone interact. energy: 2.896
local terms energy: -382.448621
where:
bonds (distance) C4'-P energy: -81.264
bonds (distance) P-C4' energy: -99.728
flat angles C4'-P-C4' energy: -106.863
flat angles P-C4'-P energy: -53.822
tors. eta vs tors. theta energy: -40.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -664.000842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.000842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.000842 (E_RNA)
where:
Base-Base interactions energy: -304.601
where: short stacking energy: -169.073
Base-Backbone interact. energy: 0.360
local terms energy: -359.759678
where:
bonds (distance) C4'-P energy: -91.526
bonds (distance) P-C4' energy: -95.266
flat angles C4'-P-C4' energy: -102.847
flat angles P-C4'-P energy: -59.785
tors. eta vs tors. theta energy: -10.336
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: 6
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -439.480210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.480210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.480210 (E_RNA)
where:
Base-Base interactions energy: -128.419
where: short stacking energy: -107.805
Base-Backbone interact. energy: -2.346
local terms energy: -308.715194
where:
bonds (distance) C4'-P energy: -94.372
bonds (distance) P-C4' energy: -111.564
flat angles C4'-P-C4' energy: -70.941
flat angles P-C4'-P energy: -49.053
tors. eta vs tors. theta energy: 17.215
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: 8
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -2148.606279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.606279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.606279 (E_RNA)
where:
Base-Base interactions energy: -1509.614
where: short stacking energy: -613.180
Base-Backbone interact. energy: -0.644
local terms energy: -638.348486
where:
bonds (distance) C4'-P energy: -120.617
bonds (distance) P-C4' energy: -108.722
flat angles C4'-P-C4' energy: -116.786
flat angles P-C4'-P energy: -96.326
tors. eta vs tors. theta energy: -195.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -2019.745200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.745200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.745200 (E_RNA)
where:
Base-Base interactions energy: -1397.950
where: short stacking energy: -572.789
Base-Backbone interact. energy: 0.310
local terms energy: -622.105347
where:
bonds (distance) C4'-P energy: -104.662
bonds (distance) P-C4' energy: -123.136
flat angles C4'-P-C4' energy: -138.003
flat angles P-C4'-P energy: -81.609
tors. eta vs tors. theta energy: -174.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -1867.034404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.034404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.034404 (E_RNA)
where:
Base-Base interactions energy: -1276.613
where: short stacking energy: -527.997
Base-Backbone interact. energy: -0.856
local terms energy: -589.565906
where:
bonds (distance) C4'-P energy: -113.365
bonds (distance) P-C4' energy: -116.984
flat angles C4'-P-C4' energy: -126.579
flat angles P-C4'-P energy: -76.916
tors. eta vs tors. theta energy: -155.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -1752.385772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.385772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.385772 (E_RNA)
where:
Base-Base interactions energy: -1182.590
where: short stacking energy: -500.754
Base-Backbone interact. energy: -0.590
local terms energy: -569.206201
where:
bonds (distance) C4'-P energy: -97.006
bonds (distance) P-C4' energy: -118.736
flat angles C4'-P-C4' energy: -123.402
flat angles P-C4'-P energy: -74.690
tors. eta vs tors. theta energy: -155.372
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: 10
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -1716.458513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.458513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.458513 (E_RNA)
where:
Base-Base interactions energy: -1157.326
where: short stacking energy: -491.201
Base-Backbone interact. energy: -0.943
local terms energy: -558.189953
where:
bonds (distance) C4'-P energy: -96.180
bonds (distance) P-C4' energy: -106.359
flat angles C4'-P-C4' energy: -121.661
flat angles P-C4'-P energy: -88.694
tors. eta vs tors. theta energy: -145.297
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: 6, replica: 3
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -1488.646350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.646350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.646350 (E_RNA)
where:
Base-Base interactions energy: -1004.906
where: short stacking energy: -440.078
Base-Backbone interact. energy: -1.458
local terms energy: -482.282292
where:
bonds (distance) C4'-P energy: -91.059
bonds (distance) P-C4' energy: -105.348
flat angles C4'-P-C4' energy: -103.981
flat angles P-C4'-P energy: -69.085
tors. eta vs tors. theta energy: -112.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1246.247448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.247448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.247448 (E_RNA)
where:
Base-Base interactions energy: -793.889
where: short stacking energy: -356.534
Base-Backbone interact. energy: -5.278
local terms energy: -447.080385
where:
bonds (distance) C4'-P energy: -103.096
bonds (distance) P-C4' energy: -102.233
flat angles C4'-P-C4' energy: -92.907
flat angles P-C4'-P energy: -60.509
tors. eta vs tors. theta energy: -88.336
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: 327
Temperature: 1.250000
Total energy: -811.728813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.728813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.728813 (E_RNA)
where:
Base-Base interactions energy: -466.945
where: short stacking energy: -235.021
Base-Backbone interact. energy: -1.181
local terms energy: -343.603511
where:
bonds (distance) C4'-P energy: -84.329
bonds (distance) P-C4' energy: -96.997
flat angles C4'-P-C4' energy: -67.773
flat angles P-C4'-P energy: -75.587
tors. eta vs tors. theta energy: -18.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -738.302237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.302237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.302237 (E_RNA)
where:
Base-Base interactions energy: -396.915
where: short stacking energy: -210.830
Base-Backbone interact. energy: 0.654
local terms energy: -342.041887
where:
bonds (distance) C4'-P energy: -95.237
bonds (distance) P-C4' energy: -86.698
flat angles C4'-P-C4' energy: -98.478
flat angles P-C4'-P energy: -40.841
tors. eta vs tors. theta energy: -20.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -465.559931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.559931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.559931 (E_RNA)
where:
Base-Base interactions energy: -140.804
where: short stacking energy: -117.148
Base-Backbone interact. energy: -0.973
local terms energy: -323.782828
where:
bonds (distance) C4'-P energy: -99.474
bonds (distance) P-C4' energy: -111.477
flat angles C4'-P-C4' energy: -74.903
flat angles P-C4'-P energy: -47.403
tors. eta vs tors. theta energy: 9.475
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: 8
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -2127.760097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.760097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.760097 (E_RNA)
where:
Base-Base interactions energy: -1485.811
where: short stacking energy: -592.350
Base-Backbone interact. energy: -3.733
local terms energy: -638.215389
where:
bonds (distance) C4'-P energy: -135.259
bonds (distance) P-C4' energy: -105.972
flat angles C4'-P-C4' energy: -135.033
flat angles P-C4'-P energy: -77.953
tors. eta vs tors. theta energy: -183.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -2057.809229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.809229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.809229 (E_RNA)
where:
Base-Base interactions energy: -1443.747
where: short stacking energy: -575.375
Base-Backbone interact. energy: -4.154
local terms energy: -609.908093
where:
bonds (distance) C4'-P energy: -102.127
bonds (distance) P-C4' energy: -121.941
flat angles C4'-P-C4' energy: -133.764
flat angles P-C4'-P energy: -83.100
tors. eta vs tors. theta energy: -168.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1902.511625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.511625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.511625 (E_RNA)
where:
Base-Base interactions energy: -1298.072
where: short stacking energy: -536.245
Base-Backbone interact. energy: 6.062
local terms energy: -610.502098
where:
bonds (distance) C4'-P energy: -116.437
bonds (distance) P-C4' energy: -112.702
flat angles C4'-P-C4' energy: -131.305
flat angles P-C4'-P energy: -90.667
tors. eta vs tors. theta energy: -159.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -1750.797683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.797683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.797683 (E_RNA)
where:
Base-Base interactions energy: -1196.605
where: short stacking energy: -497.699
Base-Backbone interact. energy: -2.143
local terms energy: -552.049854
where:
bonds (distance) C4'-P energy: -97.687
bonds (distance) P-C4' energy: -108.268
flat angles C4'-P-C4' energy: -117.389
flat angles P-C4'-P energy: -88.361
tors. eta vs tors. theta energy: -140.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -1725.392474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.392474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.392474 (E_RNA)
where:
Base-Base interactions energy: -1170.659
where: short stacking energy: -493.314
Base-Backbone interact. energy: 1.125
local terms energy: -555.857533
where:
bonds (distance) C4'-P energy: -113.802
bonds (distance) P-C4' energy: -112.821
flat angles C4'-P-C4' energy: -113.883
flat angles P-C4'-P energy: -81.142
tors. eta vs tors. theta energy: -134.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1421.808491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.808491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.808491 (E_RNA)
where:
Base-Base interactions energy: -933.775
where: short stacking energy: -396.928
Base-Backbone interact. energy: 1.211
local terms energy: -489.244424
where:
bonds (distance) C4'-P energy: -98.351
bonds (distance) P-C4' energy: -107.581
flat angles C4'-P-C4' energy: -111.030
flat angles P-C4'-P energy: -67.740
tors. eta vs tors. theta energy: -104.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1201.601379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.601379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.601379 (E_RNA)
where:
Base-Base interactions energy: -769.111
where: short stacking energy: -345.417
Base-Backbone interact. energy: 1.640
local terms energy: -434.130308
where:
bonds (distance) C4'-P energy: -103.050
bonds (distance) P-C4' energy: -95.781
flat angles C4'-P-C4' energy: -89.433
flat angles P-C4'-P energy: -84.231
tors. eta vs tors. theta energy: -61.636
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: 8, replica: 5
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -837.903851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.903851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.903851 (E_RNA)
where:
Base-Base interactions energy: -481.259
where: short stacking energy: -243.892
Base-Backbone interact. energy: 3.174
local terms energy: -359.818925
where:
bonds (distance) C4'-P energy: -95.586
bonds (distance) P-C4' energy: -90.849
flat angles C4'-P-C4' energy: -96.719
flat angles P-C4'-P energy: -47.803
tors. eta vs tors. theta energy: -28.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -713.803711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.803711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.803711 (E_RNA)
where:
Base-Base interactions energy: -389.977
where: short stacking energy: -206.277
Base-Backbone interact. energy: 2.729
local terms energy: -326.556203
where:
bonds (distance) C4'-P energy: -90.915
bonds (distance) P-C4' energy: -85.219
flat angles C4'-P-C4' energy: -86.943
flat angles P-C4'-P energy: -54.695
tors. eta vs tors. theta energy: -8.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -444.746108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.746108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.746108 (E_RNA)
where:
Base-Base interactions energy: -138.952
where: short stacking energy: -123.388
Base-Backbone interact. energy: 6.080
local terms energy: -311.874826
where:
bonds (distance) C4'-P energy: -99.871
bonds (distance) P-C4' energy: -102.116
flat angles C4'-P-C4' energy: -67.937
flat angles P-C4'-P energy: -53.963
tors. eta vs tors. theta energy: 12.012
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: 1, replica: 8
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -2133.604282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.604282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.604282 (E_RNA)
where:
Base-Base interactions energy: -1491.134
where: short stacking energy: -599.431
Base-Backbone interact. energy: -5.102
local terms energy: -637.368375
where:
bonds (distance) C4'-P energy: -110.109
bonds (distance) P-C4' energy: -116.353
flat angles C4'-P-C4' energy: -144.009
flat angles P-C4'-P energy: -76.792
tors. eta vs tors. theta energy: -190.105
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: 7
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -2065.286763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.286763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.286763 (E_RNA)
where:
Base-Base interactions energy: -1445.419
where: short stacking energy: -574.655
Base-Backbone interact. energy: -2.045
local terms energy: -617.822782
where:
bonds (distance) C4'-P energy: -111.431
bonds (distance) P-C4' energy: -111.544
flat angles C4'-P-C4' energy: -127.099
flat angles P-C4'-P energy: -87.126
tors. eta vs tors. theta energy: -180.623
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: 3, replica: 4
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1892.628277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.628277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.628277 (E_RNA)
where:
Base-Base interactions energy: -1315.780
where: short stacking energy: -537.480
Base-Backbone interact. energy: 6.118
local terms energy: -582.966426
where:
bonds (distance) C4'-P energy: -109.855
bonds (distance) P-C4' energy: -115.689
flat angles C4'-P-C4' energy: -119.481
flat angles P-C4'-P energy: -81.308
tors. eta vs tors. theta energy: -156.635
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: 329
Temperature: 1.050000
Total energy: -1737.901777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.901777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.901777 (E_RNA)
where:
Base-Base interactions energy: -1181.124
where: short stacking energy: -508.482
Base-Backbone interact. energy: -0.779
local terms energy: -555.998795
where:
bonds (distance) C4'-P energy: -97.557
bonds (distance) P-C4' energy: -98.889
flat angles C4'-P-C4' energy: -131.588
flat angles P-C4'-P energy: -87.540
tors. eta vs tors. theta energy: -140.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -1680.583018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.583018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.583018 (E_RNA)
where:
Base-Base interactions energy: -1135.353
where: short stacking energy: -479.247
Base-Backbone interact. energy: -0.146
local terms energy: -545.084595
where:
bonds (distance) C4'-P energy: -102.705
bonds (distance) P-C4' energy: -106.475
flat angles C4'-P-C4' energy: -131.763
flat angles P-C4'-P energy: -73.728
tors. eta vs tors. theta energy: -130.414
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: 3
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1375.992548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.992548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.992548 (E_RNA)
where:
Base-Base interactions energy: -887.464
where: short stacking energy: -388.042
Base-Backbone interact. energy: -1.669
local terms energy: -486.859865
where:
bonds (distance) C4'-P energy: -91.283
bonds (distance) P-C4' energy: -113.311
flat angles C4'-P-C4' energy: -121.113
flat angles P-C4'-P energy: -62.230
tors. eta vs tors. theta energy: -98.923
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: 1
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1180.768962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.768962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.768962 (E_RNA)
where:
Base-Base interactions energy: -729.434
where: short stacking energy: -337.134
Base-Backbone interact. energy: 0.185
local terms energy: -451.519975
where:
bonds (distance) C4'-P energy: -100.625
bonds (distance) P-C4' energy: -103.992
flat angles C4'-P-C4' energy: -112.483
flat angles P-C4'-P energy: -70.076
tors. eta vs tors. theta energy: -64.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -931.685066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.685066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.685066 (E_RNA)
where:
Base-Base interactions energy: -506.873
where: short stacking energy: -263.017
Base-Backbone interact. energy: 1.986
local terms energy: -426.798572
where:
bonds (distance) C4'-P energy: -101.478
bonds (distance) P-C4' energy: -110.684
flat angles C4'-P-C4' energy: -108.698
flat angles P-C4'-P energy: -67.444
tors. eta vs tors. theta energy: -38.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -715.361912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.361912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.361912 (E_RNA)
where:
Base-Base interactions energy: -352.433
where: short stacking energy: -191.319
Base-Backbone interact. energy: -1.203
local terms energy: -361.726687
where:
bonds (distance) C4'-P energy: -102.464
bonds (distance) P-C4' energy: -101.826
flat angles C4'-P-C4' energy: -89.251
flat angles P-C4'-P energy: -56.274
tors. eta vs tors. theta energy: -11.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -514.136297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.136297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.136297 (E_RNA)
where:
Base-Base interactions energy: -199.765
where: short stacking energy: -137.273
Base-Backbone interact. energy: -2.296
local terms energy: -312.075472
where:
bonds (distance) C4'-P energy: -99.346
bonds (distance) P-C4' energy: -101.904
flat angles C4'-P-C4' energy: -64.003
flat angles P-C4'-P energy: -57.402
tors. eta vs tors. theta energy: 10.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -2149.665530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.665530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.665530 (E_RNA)
where:
Base-Base interactions energy: -1510.532
where: short stacking energy: -613.571
Base-Backbone interact. energy: -2.587
local terms energy: -636.546169
where:
bonds (distance) C4'-P energy: -116.272
bonds (distance) P-C4' energy: -110.455
flat angles C4'-P-C4' energy: -137.867
flat angles P-C4'-P energy: -88.619
tors. eta vs tors. theta energy: -183.334
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: 2, replica: 7
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -2041.281836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.281836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.281836 (E_RNA)
where:
Base-Base interactions energy: -1407.704
where: short stacking energy: -593.115
Base-Backbone interact. energy: -1.492
local terms energy: -632.085973
where:
bonds (distance) C4'-P energy: -116.830
bonds (distance) P-C4' energy: -118.841
flat angles C4'-P-C4' energy: -129.121
flat angles P-C4'-P energy: -82.217
tors. eta vs tors. theta energy: -185.077
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: 4
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1865.130683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.130683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.130683 (E_RNA)
where:
Base-Base interactions energy: -1301.950
where: short stacking energy: -537.556
Base-Backbone interact. energy: -1.874
local terms energy: -561.306653
where:
bonds (distance) C4'-P energy: -96.849
bonds (distance) P-C4' energy: -108.558
flat angles C4'-P-C4' energy: -113.986
flat angles P-C4'-P energy: -86.617
tors. eta vs tors. theta energy: -155.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -1746.509624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.509624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.509624 (E_RNA)
where:
Base-Base interactions energy: -1176.198
where: short stacking energy: -483.105
Base-Backbone interact. energy: 1.085
local terms energy: -571.396625
where:
bonds (distance) C4'-P energy: -105.034
bonds (distance) P-C4' energy: -118.441
flat angles C4'-P-C4' energy: -124.754
flat angles P-C4'-P energy: -80.431
tors. eta vs tors. theta energy: -142.737
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: 5, replica: 10
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1678.266742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.266742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.266742 (E_RNA)
where:
Base-Base interactions energy: -1165.453
where: short stacking energy: -469.543
Base-Backbone interact. energy: 0.695
local terms energy: -513.508926
where:
bonds (distance) C4'-P energy: -93.648
bonds (distance) P-C4' energy: -102.452
flat angles C4'-P-C4' energy: -103.928
flat angles P-C4'-P energy: -87.234
tors. eta vs tors. theta energy: -126.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1439.190142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.190142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.190142 (E_RNA)
where:
Base-Base interactions energy: -965.457
where: short stacking energy: -402.759
Base-Backbone interact. energy: -3.034
local terms energy: -470.699352
where:
bonds (distance) C4'-P energy: -100.297
bonds (distance) P-C4' energy: -98.812
flat angles C4'-P-C4' energy: -98.263
flat angles P-C4'-P energy: -58.076
tors. eta vs tors. theta energy: -115.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1142.931846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.931846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.931846 (E_RNA)
where:
Base-Base interactions energy: -708.113
where: short stacking energy: -341.331
Base-Backbone interact. energy: -1.030
local terms energy: -433.789600
where:
bonds (distance) C4'-P energy: -108.369
bonds (distance) P-C4' energy: -88.602
flat angles C4'-P-C4' energy: -105.806
flat angles P-C4'-P energy: -65.205
tors. eta vs tors. theta energy: -65.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -973.282790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.282790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.282790 (E_RNA)
where:
Base-Base interactions energy: -570.048
where: short stacking energy: -288.071
Base-Backbone interact. energy: 0.506
local terms energy: -403.740858
where:
bonds (distance) C4'-P energy: -93.344
bonds (distance) P-C4' energy: -73.562
flat angles C4'-P-C4' energy: -105.882
flat angles P-C4'-P energy: -80.092
tors. eta vs tors. theta energy: -50.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -719.595827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.595827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.595827 (E_RNA)
where:
Base-Base interactions energy: -393.920
where: short stacking energy: -205.031
Base-Backbone interact. energy: 4.997
local terms energy: -330.672442
where:
bonds (distance) C4'-P energy: -88.975
bonds (distance) P-C4' energy: -100.864
flat angles C4'-P-C4' energy: -74.609
flat angles P-C4'-P energy: -37.588
tors. eta vs tors. theta energy: -28.636
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: 6
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -474.806709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.806709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.806709 (E_RNA)
where:
Base-Base interactions energy: -190.982
where: short stacking energy: -136.409
Base-Backbone interact. energy: -1.306
local terms energy: -282.518286
where:
bonds (distance) C4'-P energy: -75.334
bonds (distance) P-C4' energy: -112.666
flat angles C4'-P-C4' energy: -85.254
flat angles P-C4'-P energy: -41.473
tors. eta vs tors. theta energy: 32.209
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: 1, replica: 8
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -2170.728911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.728911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.728911 (E_RNA)
where:
Base-Base interactions energy: -1526.479
where: short stacking energy: -640.787
Base-Backbone interact. energy: -0.014
local terms energy: -644.236376
where:
bonds (distance) C4'-P energy: -99.794
bonds (distance) P-C4' energy: -116.206
flat angles C4'-P-C4' energy: -140.968
flat angles P-C4'-P energy: -87.493
tors. eta vs tors. theta energy: -199.776
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: 2, replica: 7
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -2035.582135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.582135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.582135 (E_RNA)
where:
Base-Base interactions energy: -1413.358
where: short stacking energy: -571.060
Base-Backbone interact. energy: -3.351
local terms energy: -618.873617
where:
bonds (distance) C4'-P energy: -116.025
bonds (distance) P-C4' energy: -116.449
flat angles C4'-P-C4' energy: -128.902
flat angles P-C4'-P energy: -74.722
tors. eta vs tors. theta energy: -182.775
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: 4
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -1905.792390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.792390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.792390 (E_RNA)
where:
Base-Base interactions energy: -1313.729
where: short stacking energy: -535.777
Base-Backbone interact. energy: -1.385
local terms energy: -590.677767
where:
bonds (distance) C4'-P energy: -117.048
bonds (distance) P-C4' energy: -108.180
flat angles C4'-P-C4' energy: -128.628
flat angles P-C4'-P energy: -81.841
tors. eta vs tors. theta energy: -154.981
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: 4, replica: 9
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -1751.582931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.582931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.582931 (E_RNA)
where:
Base-Base interactions energy: -1204.464
where: short stacking energy: -458.831
Base-Backbone interact. energy: 1.488
local terms energy: -548.607136
where:
bonds (distance) C4'-P energy: -108.762
bonds (distance) P-C4' energy: -118.832
flat angles C4'-P-C4' energy: -106.927
flat angles P-C4'-P energy: -70.759
tors. eta vs tors. theta energy: -143.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1693.182988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.182988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.182988 (E_RNA)
where:
Base-Base interactions energy: -1174.209
where: short stacking energy: -463.075
Base-Backbone interact. energy: -1.574
local terms energy: -517.400020
where:
bonds (distance) C4'-P energy: -97.789
bonds (distance) P-C4' energy: -101.757
flat angles C4'-P-C4' energy: -122.712
flat angles P-C4'-P energy: -68.570
tors. eta vs tors. theta energy: -126.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -1458.600207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.600207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.600207 (E_RNA)
where:
Base-Base interactions energy: -973.701
where: short stacking energy: -421.323
Base-Backbone interact. energy: -2.096
local terms energy: -482.802591
where:
bonds (distance) C4'-P energy: -95.306
bonds (distance) P-C4' energy: -99.354
flat angles C4'-P-C4' energy: -107.111
flat angles P-C4'-P energy: -81.064
tors. eta vs tors. theta energy: -99.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1166.609665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.609665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.609665 (E_RNA)
where:
Base-Base interactions energy: -719.358
where: short stacking energy: -315.976
Base-Backbone interact. energy: -2.579
local terms energy: -444.672823
where:
bonds (distance) C4'-P energy: -88.576
bonds (distance) P-C4' energy: -99.090
flat angles C4'-P-C4' energy: -114.636
flat angles P-C4'-P energy: -64.868
tors. eta vs tors. theta energy: -77.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -986.871909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.871909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.871909 (E_RNA)
where:
Base-Base interactions energy: -588.885
where: short stacking energy: -278.501
Base-Backbone interact. energy: 0.757
local terms energy: -398.743761
where:
bonds (distance) C4'-P energy: -105.062
bonds (distance) P-C4' energy: -88.810
flat angles C4'-P-C4' energy: -93.008
flat angles P-C4'-P energy: -63.055
tors. eta vs tors. theta energy: -48.808
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: 2
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -763.347737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.347737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.347737 (E_RNA)
where:
Base-Base interactions energy: -400.841
where: short stacking energy: -229.610
Base-Backbone interact. energy: 2.483
local terms energy: -364.989815
where:
bonds (distance) C4'-P energy: -96.535
bonds (distance) P-C4' energy: -107.130
flat angles C4'-P-C4' energy: -86.471
flat angles P-C4'-P energy: -50.360
tors. eta vs tors. theta energy: -24.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -454.494376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.494376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.494376 (E_RNA)
where:
Base-Base interactions energy: -139.134
where: short stacking energy: -119.531
Base-Backbone interact. energy: -2.166
local terms energy: -313.194784
where:
bonds (distance) C4'-P energy: -88.421
bonds (distance) P-C4' energy: -99.488
flat angles C4'-P-C4' energy: -85.770
flat angles P-C4'-P energy: -48.941
tors. eta vs tors. theta energy: 9.427
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: 8
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -2160.756614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.756614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.756614 (E_RNA)
where:
Base-Base interactions energy: -1515.031
where: short stacking energy: -657.325
Base-Backbone interact. energy: -4.611
local terms energy: -641.114625
where:
bonds (distance) C4'-P energy: -105.613
bonds (distance) P-C4' energy: -111.127
flat angles C4'-P-C4' energy: -139.424
flat angles P-C4'-P energy: -82.965
tors. eta vs tors. theta energy: -201.986
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: 7
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -2031.970245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.970245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.970245 (E_RNA)
where:
Base-Base interactions energy: -1407.907
where: short stacking energy: -580.664
Base-Backbone interact. energy: -3.138
local terms energy: -620.925739
where:
bonds (distance) C4'-P energy: -108.028
bonds (distance) P-C4' energy: -119.445
flat angles C4'-P-C4' energy: -125.375
flat angles P-C4'-P energy: -93.231
tors. eta vs tors. theta energy: -174.847
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: 3, replica: 4
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1889.318007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.318007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.318007 (E_RNA)
where:
Base-Base interactions energy: -1309.874
where: short stacking energy: -540.761
Base-Backbone interact. energy: 2.846
local terms energy: -582.289377
where:
bonds (distance) C4'-P energy: -114.689
bonds (distance) P-C4' energy: -114.044
flat angles C4'-P-C4' energy: -121.772
flat angles P-C4'-P energy: -84.635
tors. eta vs tors. theta energy: -147.150
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: 332
Temperature: 1.050000
Total energy: -1779.467813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.467813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.467813 (E_RNA)
where:
Base-Base interactions energy: -1210.718
where: short stacking energy: -483.973
Base-Backbone interact. energy: -2.306
local terms energy: -566.443785
where:
bonds (distance) C4'-P energy: -114.718
bonds (distance) P-C4' energy: -105.015
flat angles C4'-P-C4' energy: -120.935
flat angles P-C4'-P energy: -85.035
tors. eta vs tors. theta energy: -140.740
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: 10
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -1667.057412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.057412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.057412 (E_RNA)
where:
Base-Base interactions energy: -1123.158
where: short stacking energy: -475.253
Base-Backbone interact. energy: 0.045
local terms energy: -543.943514
where:
bonds (distance) C4'-P energy: -109.125
bonds (distance) P-C4' energy: -112.393
flat angles C4'-P-C4' energy: -110.704
flat angles P-C4'-P energy: -85.730
tors. eta vs tors. theta energy: -125.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -1421.674023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.674023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.674023 (E_RNA)
where:
Base-Base interactions energy: -953.806
where: short stacking energy: -384.445
Base-Backbone interact. energy: -0.669
local terms energy: -467.198718
where:
bonds (distance) C4'-P energy: -103.465
bonds (distance) P-C4' energy: -92.265
flat angles C4'-P-C4' energy: -105.967
flat angles P-C4'-P energy: -60.315
tors. eta vs tors. theta energy: -105.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1169.087122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.087122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.087122 (E_RNA)
where:
Base-Base interactions energy: -729.807
where: short stacking energy: -346.320
Base-Backbone interact. energy: -1.825
local terms energy: -437.454632
where:
bonds (distance) C4'-P energy: -96.778
bonds (distance) P-C4' energy: -101.118
flat angles C4'-P-C4' energy: -91.362
flat angles P-C4'-P energy: -68.130
tors. eta vs tors. theta energy: -80.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -902.225646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.225646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.225646 (E_RNA)
where:
Base-Base interactions energy: -522.645
where: short stacking energy: -270.881
Base-Backbone interact. energy: 5.979
local terms energy: -385.559198
where:
bonds (distance) C4'-P energy: -94.365
bonds (distance) P-C4' energy: -113.606
flat angles C4'-P-C4' energy: -89.318
flat angles P-C4'-P energy: -44.387
tors. eta vs tors. theta energy: -43.883
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: 2
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -680.233491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.233491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.233491 (E_RNA)
where:
Base-Base interactions energy: -333.048
where: short stacking energy: -200.211
Base-Backbone interact. energy: 1.872
local terms energy: -349.057246
where:
bonds (distance) C4'-P energy: -98.762
bonds (distance) P-C4' energy: -91.158
flat angles C4'-P-C4' energy: -79.589
flat angles P-C4'-P energy: -67.089
tors. eta vs tors. theta energy: -12.459
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: 6
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -473.456206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.456206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.456206 (E_RNA)
where:
Base-Base interactions energy: -163.151
where: short stacking energy: -134.403
Base-Backbone interact. energy: 5.096
local terms energy: -315.401241
where:
bonds (distance) C4'-P energy: -76.500
bonds (distance) P-C4' energy: -98.064
flat angles C4'-P-C4' energy: -89.807
flat angles P-C4'-P energy: -60.004
tors. eta vs tors. theta energy: 8.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -2183.111479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.111479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.111479 (E_RNA)
where:
Base-Base interactions energy: -1497.377
where: short stacking energy: -629.606
Base-Backbone interact. energy: -3.341
local terms energy: -682.393368
where:
bonds (distance) C4'-P energy: -127.960
bonds (distance) P-C4' energy: -124.725
flat angles C4'-P-C4' energy: -148.680
flat angles P-C4'-P energy: -76.112
tors. eta vs tors. theta energy: -204.916
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: 333
Temperature: 0.950000
Total energy: -2032.113415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.113415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.113415 (E_RNA)
where:
Base-Base interactions energy: -1407.425
where: short stacking energy: -582.036
Base-Backbone interact. energy: -2.589
local terms energy: -622.099210
where:
bonds (distance) C4'-P energy: -105.915
bonds (distance) P-C4' energy: -108.676
flat angles C4'-P-C4' energy: -134.711
flat angles P-C4'-P energy: -94.389
tors. eta vs tors. theta energy: -178.408
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: 4
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1889.857891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.857891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.857891 (E_RNA)
where:
Base-Base interactions energy: -1288.126
where: short stacking energy: -518.997
Base-Backbone interact. energy: 3.930
local terms energy: -605.661296
where:
bonds (distance) C4'-P energy: -103.396
bonds (distance) P-C4' energy: -114.802
flat angles C4'-P-C4' energy: -132.403
flat angles P-C4'-P energy: -91.876
tors. eta vs tors. theta energy: -163.184
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: 9
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1788.370592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.370592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.370592 (E_RNA)
where:
Base-Base interactions energy: -1207.850
where: short stacking energy: -527.884
Base-Backbone interact. energy: 0.503
local terms energy: -581.023312
where:
bonds (distance) C4'-P energy: -119.183
bonds (distance) P-C4' energy: -103.912
flat angles C4'-P-C4' energy: -128.940
flat angles P-C4'-P energy: -76.612
tors. eta vs tors. theta energy: -152.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -1667.743028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.743028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.743028 (E_RNA)
where:
Base-Base interactions energy: -1142.447
where: short stacking energy: -470.996
Base-Backbone interact. energy: 2.047
local terms energy: -527.343431
where:
bonds (distance) C4'-P energy: -107.468
bonds (distance) P-C4' energy: -95.248
flat angles C4'-P-C4' energy: -108.269
flat angles P-C4'-P energy: -87.369
tors. eta vs tors. theta energy: -128.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1385.351928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.351928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.351928 (E_RNA)
where:
Base-Base interactions energy: -919.655
where: short stacking energy: -386.499
Base-Backbone interact. energy: 5.170
local terms energy: -470.867177
where:
bonds (distance) C4'-P energy: -101.382
bonds (distance) P-C4' energy: -104.578
flat angles C4'-P-C4' energy: -113.481
flat angles P-C4'-P energy: -63.055
tors. eta vs tors. theta energy: -88.372
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: 7, replica: 1
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1185.038739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.038739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.038739 (E_RNA)
where:
Base-Base interactions energy: -736.734
where: short stacking energy: -316.844
Base-Backbone interact. energy: 4.913
local terms energy: -453.217717
where:
bonds (distance) C4'-P energy: -110.923
bonds (distance) P-C4' energy: -103.001
flat angles C4'-P-C4' energy: -99.604
flat angles P-C4'-P energy: -67.606
tors. eta vs tors. theta energy: -72.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -884.684722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.684722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.684722 (E_RNA)
where:
Base-Base interactions energy: -508.394
where: short stacking energy: -239.038
Base-Backbone interact. energy: 3.801
local terms energy: -380.091351
where:
bonds (distance) C4'-P energy: -83.943
bonds (distance) P-C4' energy: -109.269
flat angles C4'-P-C4' energy: -91.931
flat angles P-C4'-P energy: -53.946
tors. eta vs tors. theta energy: -41.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -703.932704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.932704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.932704 (E_RNA)
where:
Base-Base interactions energy: -370.091
where: short stacking energy: -202.260
Base-Backbone interact. energy: -0.969
local terms energy: -332.872791
where:
bonds (distance) C4'-P energy: -92.179
bonds (distance) P-C4' energy: -99.616
flat angles C4'-P-C4' energy: -92.692
flat angles P-C4'-P energy: -42.952
tors. eta vs tors. theta energy: -5.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -469.054931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.054931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.054931 (E_RNA)
where:
Base-Base interactions energy: -159.625
where: short stacking energy: -116.907
Base-Backbone interact. energy: 0.095
local terms energy: -309.524856
where:
bonds (distance) C4'-P energy: -87.923
bonds (distance) P-C4' energy: -102.787
flat angles C4'-P-C4' energy: -87.345
flat angles P-C4'-P energy: -51.322
tors. eta vs tors. theta energy: 19.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -2187.397242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.397242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.397242 (E_RNA)
where:
Base-Base interactions energy: -1514.731
where: short stacking energy: -633.869
Base-Backbone interact. energy: -0.981
local terms energy: -671.685386
where:
bonds (distance) C4'-P energy: -119.361
bonds (distance) P-C4' energy: -120.131
flat angles C4'-P-C4' energy: -136.652
flat angles P-C4'-P energy: -98.102
tors. eta vs tors. theta energy: -197.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -2050.970548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.970548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.970548 (E_RNA)
where:
Base-Base interactions energy: -1412.615
where: short stacking energy: -593.165
Base-Backbone interact. energy: 5.282
local terms energy: -643.638302
where:
bonds (distance) C4'-P energy: -117.128
bonds (distance) P-C4' energy: -116.983
flat angles C4'-P-C4' energy: -138.083
flat angles P-C4'-P energy: -93.987
tors. eta vs tors. theta energy: -177.457
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: 4
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -1872.963705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.963705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.963705 (E_RNA)
where:
Base-Base interactions energy: -1324.313
where: short stacking energy: -537.114
Base-Backbone interact. energy: 4.480
local terms energy: -553.130128
where:
bonds (distance) C4'-P energy: -89.152
bonds (distance) P-C4' energy: -92.348
flat angles C4'-P-C4' energy: -133.271
flat angles P-C4'-P energy: -88.358
tors. eta vs tors. theta energy: -150.002
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: 9
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1790.909339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.909339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.909339 (E_RNA)
where:
Base-Base interactions energy: -1204.148
where: short stacking energy: -476.069
Base-Backbone interact. energy: -4.201
local terms energy: -582.560232
where:
bonds (distance) C4'-P energy: -115.301
bonds (distance) P-C4' energy: -108.467
flat angles C4'-P-C4' energy: -128.449
flat angles P-C4'-P energy: -83.761
tors. eta vs tors. theta energy: -146.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -1689.597135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.597135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.597135 (E_RNA)
where:
Base-Base interactions energy: -1150.465
where: short stacking energy: -444.353
Base-Backbone interact. energy: 0.763
local terms energy: -539.895575
where:
bonds (distance) C4'-P energy: -96.722
bonds (distance) P-C4' energy: -109.814
flat angles C4'-P-C4' energy: -129.163
flat angles P-C4'-P energy: -81.489
tors. eta vs tors. theta energy: -122.707
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: 3
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1412.027855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.027855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.027855 (E_RNA)
where:
Base-Base interactions energy: -910.926
where: short stacking energy: -392.766
Base-Backbone interact. energy: 0.255
local terms energy: -501.357376
where:
bonds (distance) C4'-P energy: -114.364
bonds (distance) P-C4' energy: -100.551
flat angles C4'-P-C4' energy: -102.425
flat angles P-C4'-P energy: -79.066
tors. eta vs tors. theta energy: -104.952
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: 1
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -1203.135314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.135314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.135314 (E_RNA)
where:
Base-Base interactions energy: -768.105
where: short stacking energy: -338.514
Base-Backbone interact. energy: -0.020
local terms energy: -435.009728
where:
bonds (distance) C4'-P energy: -95.160
bonds (distance) P-C4' energy: -95.436
flat angles C4'-P-C4' energy: -108.060
flat angles P-C4'-P energy: -50.216
tors. eta vs tors. theta energy: -86.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -823.212055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.212055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.212055 (E_RNA)
where:
Base-Base interactions energy: -465.616
where: short stacking energy: -254.808
Base-Backbone interact. energy: 7.722
local terms energy: -365.318067
where:
bonds (distance) C4'-P energy: -102.442
bonds (distance) P-C4' energy: -83.887
flat angles C4'-P-C4' energy: -92.175
flat angles P-C4'-P energy: -57.827
tors. eta vs tors. theta energy: -28.987
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: 2
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -703.832603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.832603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.832603 (E_RNA)
where:
Base-Base interactions energy: -381.690
where: short stacking energy: -190.962
Base-Backbone interact. energy: -2.736
local terms energy: -319.406565
where:
bonds (distance) C4'-P energy: -99.831
bonds (distance) P-C4' energy: -93.379
flat angles C4'-P-C4' energy: -94.064
flat angles P-C4'-P energy: -34.075
tors. eta vs tors. theta energy: 1.942
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: 6
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -492.394216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.394216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.394216 (E_RNA)
where:
Base-Base interactions energy: -160.584
where: short stacking energy: -119.480
Base-Backbone interact. energy: -1.355
local terms energy: -330.455059
where:
bonds (distance) C4'-P energy: -99.125
bonds (distance) P-C4' energy: -105.399
flat angles C4'-P-C4' energy: -75.087
flat angles P-C4'-P energy: -68.422
tors. eta vs tors. theta energy: 17.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -2159.611288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.611288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.611288 (E_RNA)
where:
Base-Base interactions energy: -1498.914
where: short stacking energy: -625.791
Base-Backbone interact. energy: -2.801
local terms energy: -657.895948
where:
bonds (distance) C4'-P energy: -110.774
bonds (distance) P-C4' energy: -122.460
flat angles C4'-P-C4' energy: -131.937
flat angles P-C4'-P energy: -93.298
tors. eta vs tors. theta energy: -199.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -2041.448224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.448224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.448224 (E_RNA)
where:
Base-Base interactions energy: -1417.367
where: short stacking energy: -597.224
Base-Backbone interact. energy: -2.610
local terms energy: -621.471367
where:
bonds (distance) C4'-P energy: -111.206
bonds (distance) P-C4' energy: -111.722
flat angles C4'-P-C4' energy: -128.520
flat angles P-C4'-P energy: -87.403
tors. eta vs tors. theta energy: -182.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1896.293049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.293049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.293049 (E_RNA)
where:
Base-Base interactions energy: -1279.129
where: short stacking energy: -501.167
Base-Backbone interact. energy: 2.612
local terms energy: -619.776249
where:
bonds (distance) C4'-P energy: -112.856
bonds (distance) P-C4' energy: -127.975
flat angles C4'-P-C4' energy: -132.459
flat angles P-C4'-P energy: -89.105
tors. eta vs tors. theta energy: -157.380
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: 9
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1796.605363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.605363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.605363 (E_RNA)
where:
Base-Base interactions energy: -1199.714
where: short stacking energy: -527.826
Base-Backbone interact. energy: 1.570
local terms energy: -598.461946
where:
bonds (distance) C4'-P energy: -103.171
bonds (distance) P-C4' energy: -115.689
flat angles C4'-P-C4' energy: -131.554
flat angles P-C4'-P energy: -97.282
tors. eta vs tors. theta energy: -150.766
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: 5, replica: 10
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -1711.335552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.335552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.335552 (E_RNA)
where:
Base-Base interactions energy: -1160.040
where: short stacking energy: -503.445
Base-Backbone interact. energy: 1.743
local terms energy: -553.038440
where:
bonds (distance) C4'-P energy: -119.959
bonds (distance) P-C4' energy: -110.242
flat angles C4'-P-C4' energy: -110.746
flat angles P-C4'-P energy: -72.927
tors. eta vs tors. theta energy: -139.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -1359.682171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.682171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.682171 (E_RNA)
where:
Base-Base interactions energy: -909.091
where: short stacking energy: -396.345
Base-Backbone interact. energy: -3.866
local terms energy: -446.725145
where:
bonds (distance) C4'-P energy: -93.536
bonds (distance) P-C4' energy: -108.330
flat angles C4'-P-C4' energy: -86.541
flat angles P-C4'-P energy: -75.601
tors. eta vs tors. theta energy: -82.717
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: 7, replica: 1
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -1212.341816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.341816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.341816 (E_RNA)
where:
Base-Base interactions energy: -768.184
where: short stacking energy: -312.546
Base-Backbone interact. energy: 1.450
local terms energy: -445.607084
where:
bonds (distance) C4'-P energy: -100.347
bonds (distance) P-C4' energy: -105.700
flat angles C4'-P-C4' energy: -106.585
flat angles P-C4'-P energy: -62.717
tors. eta vs tors. theta energy: -70.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -797.224935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.224935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.224935 (E_RNA)
where:
Base-Base interactions energy: -426.484
where: short stacking energy: -238.516
Base-Backbone interact. energy: -1.205
local terms energy: -369.536164
where:
bonds (distance) C4'-P energy: -85.586
bonds (distance) P-C4' energy: -98.868
flat angles C4'-P-C4' energy: -91.585
flat angles P-C4'-P energy: -63.053
tors. eta vs tors. theta energy: -30.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -776.107965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.107965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.107965 (E_RNA)
where:
Base-Base interactions energy: -411.738
where: short stacking energy: -224.423
Base-Backbone interact. energy: 3.164
local terms energy: -367.534527
where:
bonds (distance) C4'-P energy: -86.904
bonds (distance) P-C4' energy: -114.145
flat angles C4'-P-C4' energy: -84.066
flat angles P-C4'-P energy: -57.765
tors. eta vs tors. theta energy: -24.654
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: 6
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -489.174776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.174776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.174776 (E_RNA)
where:
Base-Base interactions energy: -207.760
where: short stacking energy: -114.366
Base-Backbone interact. energy: -3.120
local terms energy: -278.294945
where:
bonds (distance) C4'-P energy: -92.864
bonds (distance) P-C4' energy: -99.332
flat angles C4'-P-C4' energy: -72.546
flat angles P-C4'-P energy: -46.838
tors. eta vs tors. theta energy: 33.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -2148.814748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.814748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.814748 (E_RNA)
where:
Base-Base interactions energy: -1477.437
where: short stacking energy: -637.339
Base-Backbone interact. energy: -1.241
local terms energy: -670.136137
where:
bonds (distance) C4'-P energy: -107.813
bonds (distance) P-C4' energy: -115.471
flat angles C4'-P-C4' energy: -144.374
flat angles P-C4'-P energy: -101.163
tors. eta vs tors. theta energy: -201.315
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: 7
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -2060.138832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.138832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.138832 (E_RNA)
where:
Base-Base interactions energy: -1410.848
where: short stacking energy: -583.991
Base-Backbone interact. energy: -2.954
local terms energy: -646.336908
where:
bonds (distance) C4'-P energy: -118.646
bonds (distance) P-C4' energy: -126.257
flat angles C4'-P-C4' energy: -127.600
flat angles P-C4'-P energy: -90.465
tors. eta vs tors. theta energy: -183.369
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: 4
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1912.994997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.994997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.994997 (E_RNA)
where:
Base-Base interactions energy: -1328.253
where: short stacking energy: -549.846
Base-Backbone interact. energy: 3.584
local terms energy: -588.325891
where:
bonds (distance) C4'-P energy: -119.063
bonds (distance) P-C4' energy: -104.252
flat angles C4'-P-C4' energy: -118.125
flat angles P-C4'-P energy: -77.428
tors. eta vs tors. theta energy: -169.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1773.110700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.110700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.110700 (E_RNA)
where:
Base-Base interactions energy: -1207.796
where: short stacking energy: -493.204
Base-Backbone interact. energy: -1.713
local terms energy: -563.602164
where:
bonds (distance) C4'-P energy: -100.456
bonds (distance) P-C4' energy: -111.978
flat angles C4'-P-C4' energy: -130.495
flat angles P-C4'-P energy: -83.749
tors. eta vs tors. theta energy: -136.925
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: 10
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1673.337275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.337275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.337275 (E_RNA)
where:
Base-Base interactions energy: -1161.041
where: short stacking energy: -461.510
Base-Backbone interact. energy: 1.695
local terms energy: -513.991773
where:
bonds (distance) C4'-P energy: -109.408
bonds (distance) P-C4' energy: -109.221
flat angles C4'-P-C4' energy: -115.571
flat angles P-C4'-P energy: -68.399
tors. eta vs tors. theta energy: -111.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -1397.785475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.785475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.785475 (E_RNA)
where:
Base-Base interactions energy: -917.755
where: short stacking energy: -378.717
Base-Backbone interact. energy: -3.567
local terms energy: -476.462873
where:
bonds (distance) C4'-P energy: -105.628
bonds (distance) P-C4' energy: -104.865
flat angles C4'-P-C4' energy: -99.640
flat angles P-C4'-P energy: -70.225
tors. eta vs tors. theta energy: -96.105
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: 1
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1232.328358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.328358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.328358 (E_RNA)
where:
Base-Base interactions energy: -810.770
where: short stacking energy: -376.616
Base-Backbone interact. energy: -0.134
local terms energy: -421.423953
where:
bonds (distance) C4'-P energy: -94.155
bonds (distance) P-C4' energy: -104.491
flat angles C4'-P-C4' energy: -81.385
flat angles P-C4'-P energy: -54.051
tors. eta vs tors. theta energy: -87.342
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: 5
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -854.921044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.921044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.921044 (E_RNA)
where:
Base-Base interactions energy: -516.984
where: short stacking energy: -248.770
Base-Backbone interact. energy: 5.481
local terms energy: -343.418122
where:
bonds (distance) C4'-P energy: -85.540
bonds (distance) P-C4' energy: -117.315
flat angles C4'-P-C4' energy: -67.623
flat angles P-C4'-P energy: -41.217
tors. eta vs tors. theta energy: -31.723
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: 2
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -744.902596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.902596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.902596 (E_RNA)
where:
Base-Base interactions energy: -408.626
where: short stacking energy: -209.827
Base-Backbone interact. energy: 3.007
local terms energy: -339.283201
where:
bonds (distance) C4'-P energy: -112.355
bonds (distance) P-C4' energy: -118.213
flat angles C4'-P-C4' energy: -53.579
flat angles P-C4'-P energy: -53.252
tors. eta vs tors. theta energy: -1.883
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: 6
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -514.189277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.189277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.189277 (E_RNA)
where:
Base-Base interactions energy: -231.545
where: short stacking energy: -147.490
Base-Backbone interact. energy: 1.697
local terms energy: -284.341054
where:
bonds (distance) C4'-P energy: -97.715
bonds (distance) P-C4' energy: -81.861
flat angles C4'-P-C4' energy: -73.102
flat angles P-C4'-P energy: -45.733
tors. eta vs tors. theta energy: 14.070
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: 8
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -2155.636113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.636113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.636113 (E_RNA)
where:
Base-Base interactions energy: -1478.175
where: short stacking energy: -638.253
Base-Backbone interact. energy: -2.258
local terms energy: -675.202764
where:
bonds (distance) C4'-P energy: -123.981
bonds (distance) P-C4' energy: -124.241
flat angles C4'-P-C4' energy: -134.922
flat angles P-C4'-P energy: -93.100
tors. eta vs tors. theta energy: -198.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -2050.587015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.587015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.587015 (E_RNA)
where:
Base-Base interactions energy: -1431.049
where: short stacking energy: -604.448
Base-Backbone interact. energy: 1.950
local terms energy: -621.487847
where:
bonds (distance) C4'-P energy: -100.470
bonds (distance) P-C4' energy: -111.961
flat angles C4'-P-C4' energy: -125.100
flat angles P-C4'-P energy: -86.060
tors. eta vs tors. theta energy: -197.897
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: 337
Temperature: 1.000000
Total energy: -1847.201949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.201949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.201949 (E_RNA)
where:
Base-Base interactions energy: -1284.812
where: short stacking energy: -537.988
Base-Backbone interact. energy: 13.106
local terms energy: -575.496711
where:
bonds (distance) C4'-P energy: -102.881
bonds (distance) P-C4' energy: -117.528
flat angles C4'-P-C4' energy: -124.502
flat angles P-C4'-P energy: -77.871
tors. eta vs tors. theta energy: -152.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1773.180459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.180459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.180459 (E_RNA)
where:
Base-Base interactions energy: -1222.424
where: short stacking energy: -500.873
Base-Backbone interact. energy: 0.787
local terms energy: -551.543296
where:
bonds (distance) C4'-P energy: -102.503
bonds (distance) P-C4' energy: -119.256
flat angles C4'-P-C4' energy: -115.382
flat angles P-C4'-P energy: -71.822
tors. eta vs tors. theta energy: -142.580
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: 10
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -1663.442375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.442375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.442375 (E_RNA)
where:
Base-Base interactions energy: -1141.322
where: short stacking energy: -473.461
Base-Backbone interact. energy: -3.484
local terms energy: -518.636641
where:
bonds (distance) C4'-P energy: -86.357
bonds (distance) P-C4' energy: -110.965
flat angles C4'-P-C4' energy: -122.317
flat angles P-C4'-P energy: -70.869
tors. eta vs tors. theta energy: -128.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1392.530761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.530761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.530761 (E_RNA)
where:
Base-Base interactions energy: -901.368
where: short stacking energy: -397.123
Base-Backbone interact. energy: 2.629
local terms energy: -493.791746
where:
bonds (distance) C4'-P energy: -98.336
bonds (distance) P-C4' energy: -114.873
flat angles C4'-P-C4' energy: -109.044
flat angles P-C4'-P energy: -71.325
tors. eta vs tors. theta energy: -100.214
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: 1
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1105.630244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.630244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.630244 (E_RNA)
where:
Base-Base interactions energy: -680.706
where: short stacking energy: -294.312
Base-Backbone interact. energy: -0.921
local terms energy: -424.002630
where:
bonds (distance) C4'-P energy: -102.069
bonds (distance) P-C4' energy: -99.954
flat angles C4'-P-C4' energy: -112.234
flat angles P-C4'-P energy: -62.788
tors. eta vs tors. theta energy: -46.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -868.132538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.132538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.132538 (E_RNA)
where:
Base-Base interactions energy: -479.980
where: short stacking energy: -253.681
Base-Backbone interact. energy: 2.102
local terms energy: -390.254434
where:
bonds (distance) C4'-P energy: -91.693
bonds (distance) P-C4' energy: -97.243
flat angles C4'-P-C4' energy: -106.988
flat angles P-C4'-P energy: -58.318
tors. eta vs tors. theta energy: -36.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -719.950349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.950349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.950349 (E_RNA)
where:
Base-Base interactions energy: -378.266
where: short stacking energy: -179.770
Base-Backbone interact. energy: -0.229
local terms energy: -341.455487
where:
bonds (distance) C4'-P energy: -88.052
bonds (distance) P-C4' energy: -103.578
flat angles C4'-P-C4' energy: -92.273
flat angles P-C4'-P energy: -53.778
tors. eta vs tors. theta energy: -3.775
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: 10, replica: 6
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -550.180931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.180931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.180931 (E_RNA)
where:
Base-Base interactions energy: -252.533
where: short stacking energy: -161.800
Base-Backbone interact. energy: 1.435
local terms energy: -299.082749
where:
bonds (distance) C4'-P energy: -87.251
bonds (distance) P-C4' energy: -98.614
flat angles C4'-P-C4' energy: -84.244
flat angles P-C4'-P energy: -32.877
tors. eta vs tors. theta energy: 3.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -2174.021635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.021635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.021635 (E_RNA)
where:
Base-Base interactions energy: -1493.586
where: short stacking energy: -649.805
Base-Backbone interact. energy: -3.011
local terms energy: -677.424623
where:
bonds (distance) C4'-P energy: -105.122
bonds (distance) P-C4' energy: -125.191
flat angles C4'-P-C4' energy: -144.991
flat angles P-C4'-P energy: -100.944
tors. eta vs tors. theta energy: -201.177
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: 2, replica: 7
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -2072.378480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.378480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.378480 (E_RNA)
where:
Base-Base interactions energy: -1445.645
where: short stacking energy: -603.556
Base-Backbone interact. energy: -1.262
local terms energy: -625.471035
where:
bonds (distance) C4'-P energy: -99.855
bonds (distance) P-C4' energy: -112.513
flat angles C4'-P-C4' energy: -137.702
flat angles P-C4'-P energy: -93.131
tors. eta vs tors. theta energy: -182.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1828.852891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.852891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.852891 (E_RNA)
where:
Base-Base interactions energy: -1231.742
where: short stacking energy: -526.870
Base-Backbone interact. energy: 1.967
local terms energy: -599.078175
where:
bonds (distance) C4'-P energy: -119.193
bonds (distance) P-C4' energy: -122.719
flat angles C4'-P-C4' energy: -129.216
flat angles P-C4'-P energy: -76.230
tors. eta vs tors. theta energy: -151.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1855.184792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.184792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.184792 (E_RNA)
where:
Base-Base interactions energy: -1285.560
where: short stacking energy: -525.899
Base-Backbone interact. energy: -3.998
local terms energy: -565.627591
where:
bonds (distance) C4'-P energy: -110.105
bonds (distance) P-C4' energy: -106.754
flat angles C4'-P-C4' energy: -116.326
flat angles P-C4'-P energy: -83.557
tors. eta vs tors. theta energy: -148.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -1693.742026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.742026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.742026 (E_RNA)
where:
Base-Base interactions energy: -1138.972
where: short stacking energy: -468.083
Base-Backbone interact. energy: -1.278
local terms energy: -553.491182
where:
bonds (distance) C4'-P energy: -99.764
bonds (distance) P-C4' energy: -111.240
flat angles C4'-P-C4' energy: -132.531
flat angles P-C4'-P energy: -76.406
tors. eta vs tors. theta energy: -133.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -1377.719815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.719815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.719815 (E_RNA)
where:
Base-Base interactions energy: -927.067
where: short stacking energy: -391.500
Base-Backbone interact. energy: -0.579
local terms energy: -450.074177
where:
bonds (distance) C4'-P energy: -91.525
bonds (distance) P-C4' energy: -90.648
flat angles C4'-P-C4' energy: -104.859
flat angles P-C4'-P energy: -54.653
tors. eta vs tors. theta energy: -108.389
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: 1
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -1092.551803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.551803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.551803 (E_RNA)
where:
Base-Base interactions energy: -684.035
where: short stacking energy: -312.559
Base-Backbone interact. energy: -3.348
local terms energy: -405.168892
where:
bonds (distance) C4'-P energy: -105.470
bonds (distance) P-C4' energy: -87.408
flat angles C4'-P-C4' energy: -90.695
flat angles P-C4'-P energy: -63.233
tors. eta vs tors. theta energy: -58.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -803.457892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.457892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.457892 (E_RNA)
where:
Base-Base interactions energy: -442.967
where: short stacking energy: -193.837
Base-Backbone interact. energy: 1.458
local terms energy: -361.948817
where:
bonds (distance) C4'-P energy: -111.074
bonds (distance) P-C4' energy: -106.112
flat angles C4'-P-C4' energy: -81.769
flat angles P-C4'-P energy: -57.394
tors. eta vs tors. theta energy: -5.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -736.901087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.901087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.901087 (E_RNA)
where:
Base-Base interactions energy: -367.234
where: short stacking energy: -197.858
Base-Backbone interact. energy: -0.840
local terms energy: -368.827503
where:
bonds (distance) C4'-P energy: -98.722
bonds (distance) P-C4' energy: -118.439
flat angles C4'-P-C4' energy: -83.850
flat angles P-C4'-P energy: -60.972
tors. eta vs tors. theta energy: -6.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -567.605410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.605410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.605410 (E_RNA)
where:
Base-Base interactions energy: -238.153
where: short stacking energy: -128.754
Base-Backbone interact. energy: -0.316
local terms energy: -329.136458
where:
bonds (distance) C4'-P energy: -96.769
bonds (distance) P-C4' energy: -95.484
flat angles C4'-P-C4' energy: -86.024
flat angles P-C4'-P energy: -47.833
tors. eta vs tors. theta energy: -3.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -2164.918446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.918446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.918446 (E_RNA)
where:
Base-Base interactions energy: -1503.883
where: short stacking energy: -639.127
Base-Backbone interact. energy: -1.959
local terms energy: -659.076027
where:
bonds (distance) C4'-P energy: -110.919
bonds (distance) P-C4' energy: -120.414
flat angles C4'-P-C4' energy: -143.164
flat angles P-C4'-P energy: -87.979
tors. eta vs tors. theta energy: -196.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -2054.551505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.551505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.551505 (E_RNA)
where:
Base-Base interactions energy: -1414.018
where: short stacking energy: -583.283
Base-Backbone interact. energy: 4.128
local terms energy: -644.661151
where:
bonds (distance) C4'-P energy: -102.052
bonds (distance) P-C4' energy: -123.963
flat angles C4'-P-C4' energy: -137.864
flat angles P-C4'-P energy: -91.718
tors. eta vs tors. theta energy: -189.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1838.235772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.235772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.235772 (E_RNA)
where:
Base-Base interactions energy: -1263.171
where: short stacking energy: -537.211
Base-Backbone interact. energy: -3.609
local terms energy: -571.455768
where:
bonds (distance) C4'-P energy: -98.145
bonds (distance) P-C4' energy: -111.674
flat angles C4'-P-C4' energy: -125.278
flat angles P-C4'-P energy: -79.915
tors. eta vs tors. theta energy: -156.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1879.319225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.319225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.319225 (E_RNA)
where:
Base-Base interactions energy: -1311.731
where: short stacking energy: -547.405
Base-Backbone interact. energy: 1.977
local terms energy: -569.565234
where:
bonds (distance) C4'-P energy: -113.032
bonds (distance) P-C4' energy: -113.330
flat angles C4'-P-C4' energy: -105.733
flat angles P-C4'-P energy: -78.094
tors. eta vs tors. theta energy: -159.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -1689.290483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.290483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.290483 (E_RNA)
where:
Base-Base interactions energy: -1129.666
where: short stacking energy: -485.549
Base-Backbone interact. energy: 3.120
local terms energy: -562.744167
where:
bonds (distance) C4'-P energy: -107.462
bonds (distance) P-C4' energy: -116.814
flat angles C4'-P-C4' energy: -124.329
flat angles P-C4'-P energy: -70.630
tors. eta vs tors. theta energy: -143.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1409.380262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.380262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.380262 (E_RNA)
where:
Base-Base interactions energy: -918.095
where: short stacking energy: -412.119
Base-Backbone interact. energy: 0.820
local terms energy: -492.105308
where:
bonds (distance) C4'-P energy: -96.396
bonds (distance) P-C4' energy: -100.787
flat angles C4'-P-C4' energy: -102.965
flat angles P-C4'-P energy: -78.321
tors. eta vs tors. theta energy: -113.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1155.272138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.272138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.272138 (E_RNA)
where:
Base-Base interactions energy: -729.343
where: short stacking energy: -342.218
Base-Backbone interact. energy: -0.731
local terms energy: -425.198209
where:
bonds (distance) C4'-P energy: -96.131
bonds (distance) P-C4' energy: -107.061
flat angles C4'-P-C4' energy: -91.302
flat angles P-C4'-P energy: -59.688
tors. eta vs tors. theta energy: -71.017
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: 2
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -800.997134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.997134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.997134 (E_RNA)
where:
Base-Base interactions energy: -430.215
where: short stacking energy: -229.539
Base-Backbone interact. energy: -1.285
local terms energy: -369.497175
where:
bonds (distance) C4'-P energy: -106.112
bonds (distance) P-C4' energy: -81.257
flat angles C4'-P-C4' energy: -99.854
flat angles P-C4'-P energy: -55.354
tors. eta vs tors. theta energy: -26.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -812.754854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.754854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.754854 (E_RNA)
where:
Base-Base interactions energy: -454.728
where: short stacking energy: -225.493
Base-Backbone interact. energy: 1.793
local terms energy: -359.819789
where:
bonds (distance) C4'-P energy: -97.264
bonds (distance) P-C4' energy: -99.338
flat angles C4'-P-C4' energy: -82.731
flat angles P-C4'-P energy: -61.815
tors. eta vs tors. theta energy: -18.672
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: 339
Temperature: 1.350000
Total energy: -618.476092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.476092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.476092 (E_RNA)
where:
Base-Base interactions energy: -286.852
where: short stacking energy: -172.982
Base-Backbone interact. energy: 3.058
local terms energy: -334.682786
where:
bonds (distance) C4'-P energy: -80.916
bonds (distance) P-C4' energy: -102.651
flat angles C4'-P-C4' energy: -93.846
flat angles P-C4'-P energy: -50.026
tors. eta vs tors. theta energy: -7.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -2164.523542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.523542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.523542 (E_RNA)
where:
Base-Base interactions energy: -1501.520
where: short stacking energy: -647.017
Base-Backbone interact. energy: -2.518
local terms energy: -660.485637
where:
bonds (distance) C4'-P energy: -108.715
bonds (distance) P-C4' energy: -122.315
flat angles C4'-P-C4' energy: -139.334
flat angles P-C4'-P energy: -86.782
tors. eta vs tors. theta energy: -203.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -2054.951435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.951435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.951435 (E_RNA)
where:
Base-Base interactions energy: -1423.459
where: short stacking energy: -559.126
Base-Backbone interact. energy: -1.676
local terms energy: -629.816385
where:
bonds (distance) C4'-P energy: -109.960
bonds (distance) P-C4' energy: -123.720
flat angles C4'-P-C4' energy: -133.842
flat angles P-C4'-P energy: -87.590
tors. eta vs tors. theta energy: -174.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1939.165969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.165969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.165969 (E_RNA)
where:
Base-Base interactions energy: -1357.162
where: short stacking energy: -543.920
Base-Backbone interact. energy: -0.471
local terms energy: -581.533102
where:
bonds (distance) C4'-P energy: -99.386
bonds (distance) P-C4' energy: -112.002
flat angles C4'-P-C4' energy: -121.649
flat angles P-C4'-P energy: -92.041
tors. eta vs tors. theta energy: -156.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -1813.692510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.692510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.692510 (E_RNA)
where:
Base-Base interactions energy: -1253.035
where: short stacking energy: -520.199
Base-Backbone interact. energy: -0.873
local terms energy: -559.784258
where:
bonds (distance) C4'-P energy: -108.677
bonds (distance) P-C4' energy: -102.534
flat angles C4'-P-C4' energy: -107.345
flat angles P-C4'-P energy: -90.155
tors. eta vs tors. theta energy: -151.074
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: 10
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -1723.025858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.025858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.025858 (E_RNA)
where:
Base-Base interactions energy: -1194.429
where: short stacking energy: -508.049
Base-Backbone interact. energy: -1.370
local terms energy: -527.227255
where:
bonds (distance) C4'-P energy: -77.015
bonds (distance) P-C4' energy: -106.548
flat angles C4'-P-C4' energy: -116.706
flat angles P-C4'-P energy: -87.006
tors. eta vs tors. theta energy: -139.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1425.489788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.489788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.489788 (E_RNA)
where:
Base-Base interactions energy: -915.353
where: short stacking energy: -388.272
Base-Backbone interact. energy: -3.326
local terms energy: -506.811541
where:
bonds (distance) C4'-P energy: -100.550
bonds (distance) P-C4' energy: -99.296
flat angles C4'-P-C4' energy: -120.332
flat angles P-C4'-P energy: -72.764
tors. eta vs tors. theta energy: -113.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1153.466987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.466987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.466987 (E_RNA)
where:
Base-Base interactions energy: -715.963
where: short stacking energy: -362.949
Base-Backbone interact. energy: 3.460
local terms energy: -440.963753
where:
bonds (distance) C4'-P energy: -77.182
bonds (distance) P-C4' energy: -103.198
flat angles C4'-P-C4' energy: -105.148
flat angles P-C4'-P energy: -77.466
tors. eta vs tors. theta energy: -77.969
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: 2
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -856.213674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.213674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.213674 (E_RNA)
where:
Base-Base interactions energy: -507.307
where: short stacking energy: -258.106
Base-Backbone interact. energy: -2.565
local terms energy: -346.341801
where:
bonds (distance) C4'-P energy: -100.880
bonds (distance) P-C4' energy: -94.050
flat angles C4'-P-C4' energy: -78.838
flat angles P-C4'-P energy: -42.484
tors. eta vs tors. theta energy: -30.090
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: 9, replica: 5
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -779.858984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.858984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.858984 (E_RNA)
where:
Base-Base interactions energy: -427.661
where: short stacking energy: -210.663
Base-Backbone interact. energy: -2.977
local terms energy: -349.221123
where:
bonds (distance) C4'-P energy: -102.689
bonds (distance) P-C4' energy: -91.521
flat angles C4'-P-C4' energy: -78.062
flat angles P-C4'-P energy: -58.219
tors. eta vs tors. theta energy: -18.730
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: 6
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -651.429056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.429056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.429056 (E_RNA)
where:
Base-Base interactions energy: -288.123
where: short stacking energy: -180.960
Base-Backbone interact. energy: -0.939
local terms energy: -362.366183
where:
bonds (distance) C4'-P energy: -110.058
bonds (distance) P-C4' energy: -98.664
flat angles C4'-P-C4' energy: -89.286
flat angles P-C4'-P energy: -56.205
tors. eta vs tors. theta energy: -8.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -2177.240238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.240238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.240238 (E_RNA)
where:
Base-Base interactions energy: -1523.281
where: short stacking energy: -651.337
Base-Backbone interact. energy: -0.110
local terms energy: -653.848890
where:
bonds (distance) C4'-P energy: -116.887
bonds (distance) P-C4' energy: -117.845
flat angles C4'-P-C4' energy: -132.848
flat angles P-C4'-P energy: -86.537
tors. eta vs tors. theta energy: -199.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1991.993528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.993528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.993528 (E_RNA)
where:
Base-Base interactions energy: -1375.291
where: short stacking energy: -584.718
Base-Backbone interact. energy: 0.845
local terms energy: -617.547726
where:
bonds (distance) C4'-P energy: -109.431
bonds (distance) P-C4' energy: -107.941
flat angles C4'-P-C4' energy: -127.429
flat angles P-C4'-P energy: -96.330
tors. eta vs tors. theta energy: -176.417
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: 341
Temperature: 1.000000
Total energy: -1944.554587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.554587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.554587 (E_RNA)
where:
Base-Base interactions energy: -1359.369
where: short stacking energy: -526.641
Base-Backbone interact. energy: 5.865
local terms energy: -591.051478
where:
bonds (distance) C4'-P energy: -108.914
bonds (distance) P-C4' energy: -109.755
flat angles C4'-P-C4' energy: -128.111
flat angles P-C4'-P energy: -98.260
tors. eta vs tors. theta energy: -146.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -1779.608000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.608000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.608000 (E_RNA)
where:
Base-Base interactions energy: -1224.111
where: short stacking energy: -498.368
Base-Backbone interact. energy: -0.950
local terms energy: -554.546459
where:
bonds (distance) C4'-P energy: -104.675
bonds (distance) P-C4' energy: -87.914
flat angles C4'-P-C4' energy: -123.510
flat angles P-C4'-P energy: -90.811
tors. eta vs tors. theta energy: -147.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -1689.272470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.272470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.272470 (E_RNA)
where:
Base-Base interactions energy: -1161.319
where: short stacking energy: -485.545
Base-Backbone interact. energy: -0.120
local terms energy: -527.833883
where:
bonds (distance) C4'-P energy: -95.394
bonds (distance) P-C4' energy: -100.126
flat angles C4'-P-C4' energy: -125.588
flat angles P-C4'-P energy: -70.824
tors. eta vs tors. theta energy: -135.902
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: 3
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1454.639978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.639978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.639978 (E_RNA)
where:
Base-Base interactions energy: -977.874
where: short stacking energy: -443.287
Base-Backbone interact. energy: 0.293
local terms energy: -477.059530
where:
bonds (distance) C4'-P energy: -92.877
bonds (distance) P-C4' energy: -103.395
flat angles C4'-P-C4' energy: -109.873
flat angles P-C4'-P energy: -64.561
tors. eta vs tors. theta energy: -106.353
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: 7, replica: 1
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1131.468352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.468352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.468352 (E_RNA)
where:
Base-Base interactions energy: -718.365
where: short stacking energy: -326.871
Base-Backbone interact. energy: -1.585
local terms energy: -411.518037
where:
bonds (distance) C4'-P energy: -97.683
bonds (distance) P-C4' energy: -114.468
flat angles C4'-P-C4' energy: -102.342
flat angles P-C4'-P energy: -46.755
tors. eta vs tors. theta energy: -50.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -844.898829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.898829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.898829 (E_RNA)
where:
Base-Base interactions energy: -459.890
where: short stacking energy: -233.038
Base-Backbone interact. energy: 1.245
local terms energy: -386.253974
where:
bonds (distance) C4'-P energy: -95.834
bonds (distance) P-C4' energy: -110.821
flat angles C4'-P-C4' energy: -88.361
flat angles P-C4'-P energy: -59.876
tors. eta vs tors. theta energy: -31.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -771.999037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.999037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.999037 (E_RNA)
where:
Base-Base interactions energy: -433.474
where: short stacking energy: -227.865
Base-Backbone interact. energy: 0.655
local terms energy: -339.179367
where:
bonds (distance) C4'-P energy: -97.802
bonds (distance) P-C4' energy: -87.179
flat angles C4'-P-C4' energy: -85.679
flat angles P-C4'-P energy: -47.870
tors. eta vs tors. theta energy: -20.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -631.786192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.786192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.786192 (E_RNA)
where:
Base-Base interactions energy: -276.663
where: short stacking energy: -160.065
Base-Backbone interact. energy: -1.650
local terms energy: -353.472327
where:
bonds (distance) C4'-P energy: -87.835
bonds (distance) P-C4' energy: -96.236
flat angles C4'-P-C4' energy: -92.897
flat angles P-C4'-P energy: -67.834
tors. eta vs tors. theta energy: -8.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -2158.315758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.315758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.315758 (E_RNA)
where:
Base-Base interactions energy: -1506.446
where: short stacking energy: -634.136
Base-Backbone interact. energy: -2.816
local terms energy: -649.053004
where:
bonds (distance) C4'-P energy: -109.735
bonds (distance) P-C4' energy: -114.874
flat angles C4'-P-C4' energy: -139.573
flat angles P-C4'-P energy: -89.681
tors. eta vs tors. theta energy: -195.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -2042.667588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.667588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.667588 (E_RNA)
where:
Base-Base interactions energy: -1398.389
where: short stacking energy: -599.931
Base-Backbone interact. energy: 0.681
local terms energy: -644.959536
where:
bonds (distance) C4'-P energy: -115.457
bonds (distance) P-C4' energy: -122.337
flat angles C4'-P-C4' energy: -135.866
flat angles P-C4'-P energy: -80.201
tors. eta vs tors. theta energy: -191.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1925.654509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.654509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.654509 (E_RNA)
where:
Base-Base interactions energy: -1347.071
where: short stacking energy: -542.496
Base-Backbone interact. energy: 9.188
local terms energy: -587.772095
where:
bonds (distance) C4'-P energy: -115.796
bonds (distance) P-C4' energy: -117.659
flat angles C4'-P-C4' energy: -116.542
flat angles P-C4'-P energy: -84.701
tors. eta vs tors. theta energy: -153.074
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: 342
Temperature: 1.050000
Total energy: -1823.418381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.418381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.418381 (E_RNA)
where:
Base-Base interactions energy: -1241.060
where: short stacking energy: -514.461
Base-Backbone interact. energy: -5.844
local terms energy: -576.514952
where:
bonds (distance) C4'-P energy: -111.103
bonds (distance) P-C4' energy: -101.793
flat angles C4'-P-C4' energy: -131.539
flat angles P-C4'-P energy: -87.939
tors. eta vs tors. theta energy: -144.141
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: 10
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -1727.954158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.954158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.954158 (E_RNA)
where:
Base-Base interactions energy: -1189.709
where: short stacking energy: -487.082
Base-Backbone interact. energy: -0.095
local terms energy: -538.149625
where:
bonds (distance) C4'-P energy: -95.802
bonds (distance) P-C4' energy: -109.521
flat angles C4'-P-C4' energy: -115.222
flat angles P-C4'-P energy: -83.062
tors. eta vs tors. theta energy: -134.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -1473.365504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.365504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.365504 (E_RNA)
where:
Base-Base interactions energy: -984.718
where: short stacking energy: -445.882
Base-Backbone interact. energy: -1.274
local terms energy: -487.372875
where:
bonds (distance) C4'-P energy: -85.774
bonds (distance) P-C4' energy: -111.422
flat angles C4'-P-C4' energy: -112.092
flat angles P-C4'-P energy: -58.593
tors. eta vs tors. theta energy: -119.492
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: 342
Temperature: 1.200000
Total energy: -1088.198559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.198559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.198559 (E_RNA)
where:
Base-Base interactions energy: -691.820
where: short stacking energy: -303.356
Base-Backbone interact. energy: 6.524
local terms energy: -402.901923
where:
bonds (distance) C4'-P energy: -91.435
bonds (distance) P-C4' energy: -100.915
flat angles C4'-P-C4' energy: -90.433
flat angles P-C4'-P energy: -68.631
tors. eta vs tors. theta energy: -51.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -839.899872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.899872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.899872 (E_RNA)
where:
Base-Base interactions energy: -451.193
where: short stacking energy: -229.372
Base-Backbone interact. energy: -0.347
local terms energy: -388.360548
where:
bonds (distance) C4'-P energy: -99.479
bonds (distance) P-C4' energy: -107.135
flat angles C4'-P-C4' energy: -86.168
flat angles P-C4'-P energy: -62.740
tors. eta vs tors. theta energy: -32.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -854.814316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.814316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.814316 (E_RNA)
where:
Base-Base interactions energy: -494.517
where: short stacking energy: -237.348
Base-Backbone interact. energy: 2.500
local terms energy: -362.797263
where:
bonds (distance) C4'-P energy: -91.586
bonds (distance) P-C4' energy: -100.799
flat angles C4'-P-C4' energy: -90.246
flat angles P-C4'-P energy: -45.439
tors. eta vs tors. theta energy: -34.728
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: 6
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -595.668442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.668442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.668442 (E_RNA)
where:
Base-Base interactions energy: -287.701
where: short stacking energy: -186.454
Base-Backbone interact. energy: 4.460
local terms energy: -312.427429
where:
bonds (distance) C4'-P energy: -87.341
bonds (distance) P-C4' energy: -100.182
flat angles C4'-P-C4' energy: -86.449
flat angles P-C4'-P energy: -41.437
tors. eta vs tors. theta energy: 2.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -2139.874439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.874439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.874439 (E_RNA)
where:
Base-Base interactions energy: -1464.756
where: short stacking energy: -630.927
Base-Backbone interact. energy: 0.018
local terms energy: -675.135971
where:
bonds (distance) C4'-P energy: -114.718
bonds (distance) P-C4' energy: -135.910
flat angles C4'-P-C4' energy: -138.794
flat angles P-C4'-P energy: -88.560
tors. eta vs tors. theta energy: -197.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -2031.919262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.919262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.919262 (E_RNA)
where:
Base-Base interactions energy: -1409.017
where: short stacking energy: -595.174
Base-Backbone interact. energy: -5.598
local terms energy: -617.304430
where:
bonds (distance) C4'-P energy: -123.477
bonds (distance) P-C4' energy: -104.149
flat angles C4'-P-C4' energy: -133.105
flat angles P-C4'-P energy: -78.621
tors. eta vs tors. theta energy: -177.953
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: 3, replica: 4
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -1934.689594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.689594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.689594 (E_RNA)
where:
Base-Base interactions energy: -1350.528
where: short stacking energy: -516.383
Base-Backbone interact. energy: 5.518
local terms energy: -589.679977
where:
bonds (distance) C4'-P energy: -105.361
bonds (distance) P-C4' energy: -117.189
flat angles C4'-P-C4' energy: -120.893
flat angles P-C4'-P energy: -86.950
tors. eta vs tors. theta energy: -159.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1789.704876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.704876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.704876 (E_RNA)
where:
Base-Base interactions energy: -1229.494
where: short stacking energy: -506.008
Base-Backbone interact. energy: -3.918
local terms energy: -556.293036
where:
bonds (distance) C4'-P energy: -116.031
bonds (distance) P-C4' energy: -106.290
flat angles C4'-P-C4' energy: -121.469
flat angles P-C4'-P energy: -76.432
tors. eta vs tors. theta energy: -136.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -1676.846988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.846988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.846988 (E_RNA)
where:
Base-Base interactions energy: -1118.669
where: short stacking energy: -473.014
Base-Backbone interact. energy: -2.531
local terms energy: -555.646922
where:
bonds (distance) C4'-P energy: -98.504
bonds (distance) P-C4' energy: -110.496
flat angles C4'-P-C4' energy: -131.674
flat angles P-C4'-P energy: -73.343
tors. eta vs tors. theta energy: -141.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -1456.160342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.160342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.160342 (E_RNA)
where:
Base-Base interactions energy: -952.256
where: short stacking energy: -420.429
Base-Backbone interact. energy: -5.558
local terms energy: -498.346657
where:
bonds (distance) C4'-P energy: -90.811
bonds (distance) P-C4' energy: -117.443
flat angles C4'-P-C4' energy: -99.275
flat angles P-C4'-P energy: -71.149
tors. eta vs tors. theta energy: -119.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -1118.589016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.589016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.589016 (E_RNA)
where:
Base-Base interactions energy: -713.003
where: short stacking energy: -348.571
Base-Backbone interact. energy: 14.681
local terms energy: -420.266557
where:
bonds (distance) C4'-P energy: -80.164
bonds (distance) P-C4' energy: -102.875
flat angles C4'-P-C4' energy: -109.258
flat angles P-C4'-P energy: -51.888
tors. eta vs tors. theta energy: -76.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -915.490020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.490020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.490020 (E_RNA)
where:
Base-Base interactions energy: -497.417
where: short stacking energy: -246.173
Base-Backbone interact. energy: -1.758
local terms energy: -416.315209
where:
bonds (distance) C4'-P energy: -99.374
bonds (distance) P-C4' energy: -113.795
flat angles C4'-P-C4' energy: -99.901
flat angles P-C4'-P energy: -54.528
tors. eta vs tors. theta energy: -48.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -700.339058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.339058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.339058 (E_RNA)
where:
Base-Base interactions energy: -363.593
where: short stacking energy: -197.953
Base-Backbone interact. energy: -0.914
local terms energy: -335.832554
where:
bonds (distance) C4'-P energy: -86.635
bonds (distance) P-C4' energy: -101.055
flat angles C4'-P-C4' energy: -104.219
flat angles P-C4'-P energy: -41.436
tors. eta vs tors. theta energy: -2.487
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: 6
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -574.577029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.577029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.577029 (E_RNA)
where:
Base-Base interactions energy: -246.856
where: short stacking energy: -148.595
Base-Backbone interact. energy: -2.058
local terms energy: -325.663377
where:
bonds (distance) C4'-P energy: -91.085
bonds (distance) P-C4' energy: -99.070
flat angles C4'-P-C4' energy: -84.631
flat angles P-C4'-P energy: -50.778
tors. eta vs tors. theta energy: -0.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -2140.695386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.695386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.695386 (E_RNA)
where:
Base-Base interactions energy: -1480.867
where: short stacking energy: -619.892
Base-Backbone interact. energy: -3.521
local terms energy: -656.307991
where:
bonds (distance) C4'-P energy: -105.709
bonds (distance) P-C4' energy: -125.261
flat angles C4'-P-C4' energy: -140.113
flat angles P-C4'-P energy: -89.298
tors. eta vs tors. theta energy: -195.927
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: 2, replica: 7
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -2031.164125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.164125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.164125 (E_RNA)
where:
Base-Base interactions energy: -1393.135
where: short stacking energy: -579.751
Base-Backbone interact. energy: -2.175
local terms energy: -635.854639
where:
bonds (distance) C4'-P energy: -120.932
bonds (distance) P-C4' energy: -107.488
flat angles C4'-P-C4' energy: -126.844
flat angles P-C4'-P energy: -86.961
tors. eta vs tors. theta energy: -193.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -1818.433885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.433885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.433885 (E_RNA)
where:
Base-Base interactions energy: -1238.118
where: short stacking energy: -520.493
Base-Backbone interact. energy: 1.908
local terms energy: -582.224639
where:
bonds (distance) C4'-P energy: -105.165
bonds (distance) P-C4' energy: -116.409
flat angles C4'-P-C4' energy: -130.148
flat angles P-C4'-P energy: -84.195
tors. eta vs tors. theta energy: -146.308
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: 4
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1896.763350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.763350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.763350 (E_RNA)
where:
Base-Base interactions energy: -1350.268
where: short stacking energy: -536.256
Base-Backbone interact. energy: 2.330
local terms energy: -548.825375
where:
bonds (distance) C4'-P energy: -89.977
bonds (distance) P-C4' energy: -103.970
flat angles C4'-P-C4' energy: -127.914
flat angles P-C4'-P energy: -73.487
tors. eta vs tors. theta energy: -153.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -1699.837236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.837236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.837236 (E_RNA)
where:
Base-Base interactions energy: -1148.766
where: short stacking energy: -491.801
Base-Backbone interact. energy: -2.340
local terms energy: -548.730795
where:
bonds (distance) C4'-P energy: -107.890
bonds (distance) P-C4' energy: -105.165
flat angles C4'-P-C4' energy: -114.594
flat angles P-C4'-P energy: -84.843
tors. eta vs tors. theta energy: -136.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -1390.627771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.627771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.627771 (E_RNA)
where:
Base-Base interactions energy: -905.475
where: short stacking energy: -400.377
Base-Backbone interact. energy: -3.663
local terms energy: -481.490448
where:
bonds (distance) C4'-P energy: -104.722
bonds (distance) P-C4' energy: -106.935
flat angles C4'-P-C4' energy: -110.470
flat angles P-C4'-P energy: -63.446
tors. eta vs tors. theta energy: -95.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1061.812991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.812991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.812991 (E_RNA)
where:
Base-Base interactions energy: -672.852
where: short stacking energy: -327.343
Base-Backbone interact. energy: -0.447
local terms energy: -388.514677
where:
bonds (distance) C4'-P energy: -94.187
bonds (distance) P-C4' energy: -95.226
flat angles C4'-P-C4' energy: -103.395
flat angles P-C4'-P energy: -44.099
tors. eta vs tors. theta energy: -51.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -919.300006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.300006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.300006 (E_RNA)
where:
Base-Base interactions energy: -528.514
where: short stacking energy: -247.584
Base-Backbone interact. energy: -1.985
local terms energy: -388.800864
where:
bonds (distance) C4'-P energy: -82.704
bonds (distance) P-C4' energy: -111.236
flat angles C4'-P-C4' energy: -101.703
flat angles P-C4'-P energy: -59.422
tors. eta vs tors. theta energy: -33.736
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: 2
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -739.947328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.947328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.947328 (E_RNA)
where:
Base-Base interactions energy: -377.975
where: short stacking energy: -204.768
Base-Backbone interact. energy: -1.107
local terms energy: -360.865818
where:
bonds (distance) C4'-P energy: -89.395
bonds (distance) P-C4' energy: -94.846
flat angles C4'-P-C4' energy: -101.772
flat angles P-C4'-P energy: -58.565
tors. eta vs tors. theta energy: -16.289
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: 6
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -585.661405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.661405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.661405 (E_RNA)
where:
Base-Base interactions energy: -300.146
where: short stacking energy: -179.476
Base-Backbone interact. energy: 1.430
local terms energy: -286.944965
where:
bonds (distance) C4'-P energy: -84.608
bonds (distance) P-C4' energy: -103.993
flat angles C4'-P-C4' energy: -57.628
flat angles P-C4'-P energy: -46.514
tors. eta vs tors. theta energy: 5.798
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: 8
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -2170.187283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.187283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.187283 (E_RNA)
where:
Base-Base interactions energy: -1499.905
where: short stacking energy: -627.194
Base-Backbone interact. energy: -2.041
local terms energy: -668.241920
where:
bonds (distance) C4'-P energy: -120.983
bonds (distance) P-C4' energy: -109.901
flat angles C4'-P-C4' energy: -142.760
flat angles P-C4'-P energy: -102.021
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: 2, replica: 7
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -2048.889788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.889788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.889788 (E_RNA)
where:
Base-Base interactions energy: -1423.799
where: short stacking energy: -583.009
Base-Backbone interact. energy: -2.358
local terms energy: -622.732162
where:
bonds (distance) C4'-P energy: -113.128
bonds (distance) P-C4' energy: -115.377
flat angles C4'-P-C4' energy: -133.308
flat angles P-C4'-P energy: -77.376
tors. eta vs tors. theta energy: -183.543
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: 3, replica: 9
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -1819.943359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.943359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.943359 (E_RNA)
where:
Base-Base interactions energy: -1238.491
where: short stacking energy: -509.025
Base-Backbone interact. energy: 1.184
local terms energy: -582.636711
where:
bonds (distance) C4'-P energy: -123.540
bonds (distance) P-C4' energy: -114.574
flat angles C4'-P-C4' energy: -116.531
flat angles P-C4'-P energy: -78.342
tors. eta vs tors. theta energy: -149.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -1909.377215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.377215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.377215 (E_RNA)
where:
Base-Base interactions energy: -1335.681
where: short stacking energy: -531.193
Base-Backbone interact. energy: 6.307
local terms energy: -580.003413
where:
bonds (distance) C4'-P energy: -109.496
bonds (distance) P-C4' energy: -105.002
flat angles C4'-P-C4' energy: -125.345
flat angles P-C4'-P energy: -82.342
tors. eta vs tors. theta energy: -157.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -1695.369704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.369704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.369704 (E_RNA)
where:
Base-Base interactions energy: -1160.211
where: short stacking energy: -486.400
Base-Backbone interact. energy: -1.381
local terms energy: -533.778004
where:
bonds (distance) C4'-P energy: -101.828
bonds (distance) P-C4' energy: -96.500
flat angles C4'-P-C4' energy: -116.798
flat angles P-C4'-P energy: -85.466
tors. eta vs tors. theta energy: -133.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -1409.902376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.902376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.902376 (E_RNA)
where:
Base-Base interactions energy: -907.288
where: short stacking energy: -408.374
Base-Backbone interact. energy: 0.864
local terms energy: -503.478365
where:
bonds (distance) C4'-P energy: -84.047
bonds (distance) P-C4' energy: -120.904
flat angles C4'-P-C4' energy: -107.935
flat angles P-C4'-P energy: -78.003
tors. eta vs tors. theta energy: -112.589
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: 345
Temperature: 1.200000
Total energy: -1066.883964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.883964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.883964 (E_RNA)
where:
Base-Base interactions energy: -640.682
where: short stacking energy: -282.709
Base-Backbone interact. energy: -2.740
local terms energy: -423.461263
where:
bonds (distance) C4'-P energy: -97.565
bonds (distance) P-C4' energy: -105.560
flat angles C4'-P-C4' energy: -93.770
flat angles P-C4'-P energy: -78.895
tors. eta vs tors. theta energy: -47.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -896.969685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.969685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.969685 (E_RNA)
where:
Base-Base interactions energy: -507.839
where: short stacking energy: -233.786
Base-Backbone interact. energy: 0.396
local terms energy: -389.526659
where:
bonds (distance) C4'-P energy: -90.157
bonds (distance) P-C4' energy: -108.775
flat angles C4'-P-C4' energy: -100.105
flat angles P-C4'-P energy: -59.539
tors. eta vs tors. theta energy: -30.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -749.930002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.930002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.930002 (E_RNA)
where:
Base-Base interactions energy: -401.837
where: short stacking energy: -198.527
Base-Backbone interact. energy: 0.026
local terms energy: -348.118690
where:
bonds (distance) C4'-P energy: -91.776
bonds (distance) P-C4' energy: -113.701
flat angles C4'-P-C4' energy: -88.095
flat angles P-C4'-P energy: -46.151
tors. eta vs tors. theta energy: -8.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -596.967201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.967201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.967201 (E_RNA)
where:
Base-Base interactions energy: -283.275
where: short stacking energy: -171.321
Base-Backbone interact. energy: 7.972
local terms energy: -321.663886
where:
bonds (distance) C4'-P energy: -86.929
bonds (distance) P-C4' energy: -89.084
flat angles C4'-P-C4' energy: -95.322
flat angles P-C4'-P energy: -49.437
tors. eta vs tors. theta energy: -0.892
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: 8
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -2144.093045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.093045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.093045 (E_RNA)
where:
Base-Base interactions energy: -1495.356
where: short stacking energy: -616.110
Base-Backbone interact. energy: 3.768
local terms energy: -652.505130
where:
bonds (distance) C4'-P energy: -113.120
bonds (distance) P-C4' energy: -117.843
flat angles C4'-P-C4' energy: -139.661
flat angles P-C4'-P energy: -82.472
tors. eta vs tors. theta energy: -199.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -2044.691950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.691950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.691950 (E_RNA)
where:
Base-Base interactions energy: -1405.778
where: short stacking energy: -581.395
Base-Backbone interact. energy: -2.081
local terms energy: -636.832351
where:
bonds (distance) C4'-P energy: -128.989
bonds (distance) P-C4' energy: -117.086
flat angles C4'-P-C4' energy: -128.959
flat angles P-C4'-P energy: -93.739
tors. eta vs tors. theta energy: -168.059
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: 3, replica: 4
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1958.395450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.395450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.395450 (E_RNA)
where:
Base-Base interactions energy: -1350.355
where: short stacking energy: -534.038
Base-Backbone interact. energy: 7.553
local terms energy: -615.592544
where:
bonds (distance) C4'-P energy: -114.793
bonds (distance) P-C4' energy: -108.715
flat angles C4'-P-C4' energy: -130.292
flat angles P-C4'-P energy: -96.637
tors. eta vs tors. theta energy: -165.155
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: 9
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -1760.149716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.149716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.149716 (E_RNA)
where:
Base-Base interactions energy: -1206.515
where: short stacking energy: -500.644
Base-Backbone interact. energy: -3.612
local terms energy: -550.022548
where:
bonds (distance) C4'-P energy: -98.805
bonds (distance) P-C4' energy: -110.054
flat angles C4'-P-C4' energy: -116.272
flat angles P-C4'-P energy: -86.346
tors. eta vs tors. theta energy: -138.546
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: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -1719.288339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.288339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.288339 (E_RNA)
where:
Base-Base interactions energy: -1155.429
where: short stacking energy: -510.229
Base-Backbone interact. energy: 1.070
local terms energy: -564.929761
where:
bonds (distance) C4'-P energy: -89.171
bonds (distance) P-C4' energy: -114.157
flat angles C4'-P-C4' energy: -134.497
flat angles P-C4'-P energy: -83.825
tors. eta vs tors. theta energy: -143.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -1412.010745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.010745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.010745 (E_RNA)
where:
Base-Base interactions energy: -922.788
where: short stacking energy: -423.175
Base-Backbone interact. energy: -2.937
local terms energy: -486.285950
where:
bonds (distance) C4'-P energy: -95.982
bonds (distance) P-C4' energy: -101.832
flat angles C4'-P-C4' energy: -110.247
flat angles P-C4'-P energy: -59.607
tors. eta vs tors. theta energy: -118.619
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: 7, replica: 1
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1117.626037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.626037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.626037 (E_RNA)
where:
Base-Base interactions energy: -695.492
where: short stacking energy: -322.967
Base-Backbone interact. energy: -0.543
local terms energy: -421.591800
where:
bonds (distance) C4'-P energy: -97.004
bonds (distance) P-C4' energy: -96.272
flat angles C4'-P-C4' energy: -95.148
flat angles P-C4'-P energy: -77.388
tors. eta vs tors. theta energy: -55.780
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: 5
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -887.787963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.787963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.787963 (E_RNA)
where:
Base-Base interactions energy: -507.562
where: short stacking energy: -262.211
Base-Backbone interact. energy: 2.198
local terms energy: -382.423778
where:
bonds (distance) C4'-P energy: -96.248
bonds (distance) P-C4' energy: -97.826
flat angles C4'-P-C4' energy: -93.399
flat angles P-C4'-P energy: -60.698
tors. eta vs tors. theta energy: -34.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -749.854210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.854210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.854210 (E_RNA)
where:
Base-Base interactions energy: -399.144
where: short stacking energy: -208.803
Base-Backbone interact. energy: 1.279
local terms energy: -351.989213
where:
bonds (distance) C4'-P energy: -83.698
bonds (distance) P-C4' energy: -115.706
flat angles C4'-P-C4' energy: -87.453
flat angles P-C4'-P energy: -54.715
tors. eta vs tors. theta energy: -10.417
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: 6
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -581.061517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.061517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.061517 (E_RNA)
where:
Base-Base interactions energy: -306.908
where: short stacking energy: -177.290
Base-Backbone interact. energy: 5.036
local terms energy: -279.189993
where:
bonds (distance) C4'-P energy: -72.010
bonds (distance) P-C4' energy: -99.346
flat angles C4'-P-C4' energy: -72.040
flat angles P-C4'-P energy: -46.439
tors. eta vs tors. theta energy: 10.646
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: 8
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -2151.890703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.890703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.890703 (E_RNA)
where:
Base-Base interactions energy: -1480.108
where: short stacking energy: -621.754
Base-Backbone interact. energy: -0.238
local terms energy: -671.545409
where:
bonds (distance) C4'-P energy: -117.518
bonds (distance) P-C4' energy: -122.963
flat angles C4'-P-C4' energy: -147.878
flat angles P-C4'-P energy: -84.564
tors. eta vs tors. theta energy: -198.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -2008.809972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.809972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.809972 (E_RNA)
where:
Base-Base interactions energy: -1386.852
where: short stacking energy: -601.483
Base-Backbone interact. energy: -3.804
local terms energy: -618.153792
where:
bonds (distance) C4'-P energy: -105.321
bonds (distance) P-C4' energy: -126.248
flat angles C4'-P-C4' energy: -125.366
flat angles P-C4'-P energy: -83.165
tors. eta vs tors. theta energy: -178.054
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: 3, replica: 4
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1946.982224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.982224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.982224 (E_RNA)
where:
Base-Base interactions energy: -1366.159
where: short stacking energy: -543.621
Base-Backbone interact. energy: 7.859
local terms energy: -588.681897
where:
bonds (distance) C4'-P energy: -110.041
bonds (distance) P-C4' energy: -93.868
flat angles C4'-P-C4' energy: -134.155
flat angles P-C4'-P energy: -89.863
tors. eta vs tors. theta energy: -160.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -1782.115629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.115629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.115629 (E_RNA)
where:
Base-Base interactions energy: -1227.858
where: short stacking energy: -501.499
Base-Backbone interact. energy: -1.894
local terms energy: -552.363561
where:
bonds (distance) C4'-P energy: -94.541
bonds (distance) P-C4' energy: -106.942
flat angles C4'-P-C4' energy: -124.427
flat angles P-C4'-P energy: -82.710
tors. eta vs tors. theta energy: -143.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1708.297347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.297347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.297347 (E_RNA)
where:
Base-Base interactions energy: -1141.219
where: short stacking energy: -500.804
Base-Backbone interact. energy: -1.092
local terms energy: -565.985593
where:
bonds (distance) C4'-P energy: -106.200
bonds (distance) P-C4' energy: -110.047
flat angles C4'-P-C4' energy: -124.621
flat angles P-C4'-P energy: -82.739
tors. eta vs tors. theta energy: -142.379
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: 3
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -1448.586234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.586234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.586234 (E_RNA)
where:
Base-Base interactions energy: -952.029
where: short stacking energy: -437.406
Base-Backbone interact. energy: -1.235
local terms energy: -495.322118
where:
bonds (distance) C4'-P energy: -93.915
bonds (distance) P-C4' energy: -111.469
flat angles C4'-P-C4' energy: -104.055
flat angles P-C4'-P energy: -60.962
tors. eta vs tors. theta energy: -124.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1129.967196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.967196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.967196 (E_RNA)
where:
Base-Base interactions energy: -680.965
where: short stacking energy: -280.089
Base-Backbone interact. energy: -5.943
local terms energy: -443.058775
where:
bonds (distance) C4'-P energy: -100.259
bonds (distance) P-C4' energy: -111.733
flat angles C4'-P-C4' energy: -103.887
flat angles P-C4'-P energy: -63.500
tors. eta vs tors. theta energy: -63.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -887.620135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.620135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.620135 (E_RNA)
where:
Base-Base interactions energy: -479.629
where: short stacking energy: -247.411
Base-Backbone interact. energy: -0.914
local terms energy: -407.077252
where:
bonds (distance) C4'-P energy: -106.547
bonds (distance) P-C4' energy: -103.148
flat angles C4'-P-C4' energy: -97.059
flat angles P-C4'-P energy: -63.591
tors. eta vs tors. theta energy: -36.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -704.197378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.197378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.197378 (E_RNA)
where:
Base-Base interactions energy: -371.758
where: short stacking energy: -214.422
Base-Backbone interact. energy: -0.076
local terms energy: -332.363483
where:
bonds (distance) C4'-P energy: -88.752
bonds (distance) P-C4' energy: -86.337
flat angles C4'-P-C4' energy: -94.075
flat angles P-C4'-P energy: -51.058
tors. eta vs tors. theta energy: -12.142
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: 6
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -576.022435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.022435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.022435 (E_RNA)
where:
Base-Base interactions energy: -259.544
where: short stacking energy: -165.545
Base-Backbone interact. energy: 0.850
local terms energy: -317.327850
where:
bonds (distance) C4'-P energy: -78.097
bonds (distance) P-C4' energy: -110.857
flat angles C4'-P-C4' energy: -71.771
flat angles P-C4'-P energy: -64.032
tors. eta vs tors. theta energy: 7.429
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: 8
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -2162.392962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.392962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.392962 (E_RNA)
where:
Base-Base interactions energy: -1499.088
where: short stacking energy: -646.150
Base-Backbone interact. energy: -1.546
local terms energy: -661.758845
where:
bonds (distance) C4'-P energy: -117.610
bonds (distance) P-C4' energy: -112.233
flat angles C4'-P-C4' energy: -146.081
flat angles P-C4'-P energy: -87.644
tors. eta vs tors. theta energy: -198.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -2027.846443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.846443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.846443 (E_RNA)
where:
Base-Base interactions energy: -1406.391
where: short stacking energy: -572.687
Base-Backbone interact. energy: 0.961
local terms energy: -622.416622
where:
bonds (distance) C4'-P energy: -119.032
bonds (distance) P-C4' energy: -113.719
flat angles C4'-P-C4' energy: -130.199
flat angles P-C4'-P energy: -84.242
tors. eta vs tors. theta energy: -175.225
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: 4
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1908.802272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.802272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.802272 (E_RNA)
where:
Base-Base interactions energy: -1327.081
where: short stacking energy: -539.690
Base-Backbone interact. energy: 6.995
local terms energy: -588.716420
where:
bonds (distance) C4'-P energy: -120.406
bonds (distance) P-C4' energy: -112.220
flat angles C4'-P-C4' energy: -124.844
flat angles P-C4'-P energy: -77.713
tors. eta vs tors. theta energy: -153.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -1820.130701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.130701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.130701 (E_RNA)
where:
Base-Base interactions energy: -1236.379
where: short stacking energy: -526.610
Base-Backbone interact. energy: -2.662
local terms energy: -581.089482
where:
bonds (distance) C4'-P energy: -100.409
bonds (distance) P-C4' energy: -108.002
flat angles C4'-P-C4' energy: -130.120
flat angles P-C4'-P energy: -86.972
tors. eta vs tors. theta energy: -155.587
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: 9
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -1678.906441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.906441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.906441 (E_RNA)
where:
Base-Base interactions energy: -1146.426
where: short stacking energy: -471.580
Base-Backbone interact. energy: -4.555
local terms energy: -527.925133
where:
bonds (distance) C4'-P energy: -108.710
bonds (distance) P-C4' energy: -105.040
flat angles C4'-P-C4' energy: -105.193
flat angles P-C4'-P energy: -70.632
tors. eta vs tors. theta energy: -138.350
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: 3
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -1427.583126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.583126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.583126 (E_RNA)
where:
Base-Base interactions energy: -927.032
where: short stacking energy: -423.300
Base-Backbone interact. energy: -2.303
local terms energy: -498.247882
where:
bonds (distance) C4'-P energy: -96.712
bonds (distance) P-C4' energy: -116.855
flat angles C4'-P-C4' energy: -107.995
flat angles P-C4'-P energy: -59.495
tors. eta vs tors. theta energy: -117.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1127.230377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.230377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.230377 (E_RNA)
where:
Base-Base interactions energy: -691.775
where: short stacking energy: -325.018
Base-Backbone interact. energy: -1.120
local terms energy: -434.335143
where:
bonds (distance) C4'-P energy: -98.974
bonds (distance) P-C4' energy: -112.722
flat angles C4'-P-C4' energy: -84.885
flat angles P-C4'-P energy: -64.665
tors. eta vs tors. theta energy: -73.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -886.645005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.645005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.645005 (E_RNA)
where:
Base-Base interactions energy: -490.659
where: short stacking energy: -248.286
Base-Backbone interact. energy: -2.676
local terms energy: -393.310271
where:
bonds (distance) C4'-P energy: -107.285
bonds (distance) P-C4' energy: -108.719
flat angles C4'-P-C4' energy: -97.543
flat angles P-C4'-P energy: -63.203
tors. eta vs tors. theta energy: -16.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -758.159072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.159072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.159072 (E_RNA)
where:
Base-Base interactions energy: -380.031
where: short stacking energy: -197.783
Base-Backbone interact. energy: -0.284
local terms energy: -377.844512
where:
bonds (distance) C4'-P energy: -105.221
bonds (distance) P-C4' energy: -101.991
flat angles C4'-P-C4' energy: -96.422
flat angles P-C4'-P energy: -50.882
tors. eta vs tors. theta energy: -23.329
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: 10, replica: 6
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -620.794405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.794405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.794405 (E_RNA)
where:
Base-Base interactions energy: -307.362
where: short stacking energy: -186.699
Base-Backbone interact. energy: -1.733
local terms energy: -311.699618
where:
bonds (distance) C4'-P energy: -82.955
bonds (distance) P-C4' energy: -94.184
flat angles C4'-P-C4' energy: -73.268
flat angles P-C4'-P energy: -46.123
tors. eta vs tors. theta energy: -15.169
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: 8
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -2150.068903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.068903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.068903 (E_RNA)
where:
Base-Base interactions energy: -1482.460
where: short stacking energy: -625.843
Base-Backbone interact. energy: -1.163
local terms energy: -666.446381
where:
bonds (distance) C4'-P energy: -107.629
bonds (distance) P-C4' energy: -128.891
flat angles C4'-P-C4' energy: -137.415
flat angles P-C4'-P energy: -94.304
tors. eta vs tors. theta energy: -198.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -2036.334932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.334932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.334932 (E_RNA)
where:
Base-Base interactions energy: -1402.677
where: short stacking energy: -599.017
Base-Backbone interact. energy: -2.823
local terms energy: -630.835243
where:
bonds (distance) C4'-P energy: -116.355
bonds (distance) P-C4' energy: -118.754
flat angles C4'-P-C4' energy: -137.461
flat angles P-C4'-P energy: -81.772
tors. eta vs tors. theta energy: -176.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1935.574418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.574418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.574418 (E_RNA)
where:
Base-Base interactions energy: -1359.272
where: short stacking energy: -538.424
Base-Backbone interact. energy: 7.517
local terms energy: -583.819554
where:
bonds (distance) C4'-P energy: -99.440
bonds (distance) P-C4' energy: -106.381
flat angles C4'-P-C4' energy: -131.114
flat angles P-C4'-P energy: -93.358
tors. eta vs tors. theta energy: -153.526
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: 4, replica: 10
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1842.531476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.531476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.531476 (E_RNA)
where:
Base-Base interactions energy: -1255.285
where: short stacking energy: -531.690
Base-Backbone interact. energy: -4.310
local terms energy: -582.936551
where:
bonds (distance) C4'-P energy: -112.000
bonds (distance) P-C4' energy: -108.331
flat angles C4'-P-C4' energy: -125.171
flat angles P-C4'-P energy: -78.636
tors. eta vs tors. theta energy: -158.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -1651.872646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.872646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.872646 (E_RNA)
where:
Base-Base interactions energy: -1103.214
where: short stacking energy: -473.294
Base-Backbone interact. energy: -0.521
local terms energy: -548.138159
where:
bonds (distance) C4'-P energy: -122.333
bonds (distance) P-C4' energy: -96.833
flat angles C4'-P-C4' energy: -120.913
flat angles P-C4'-P energy: -70.992
tors. eta vs tors. theta energy: -137.068
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: 3
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -1440.717027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.717027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.717027 (E_RNA)
where:
Base-Base interactions energy: -953.285
where: short stacking energy: -405.080
Base-Backbone interact. energy: 1.572
local terms energy: -489.004456
where:
bonds (distance) C4'-P energy: -100.339
bonds (distance) P-C4' energy: -102.397
flat angles C4'-P-C4' energy: -103.348
flat angles P-C4'-P energy: -70.821
tors. eta vs tors. theta energy: -112.099
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: 1
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -1170.128852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.128852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.128852 (E_RNA)
where:
Base-Base interactions energy: -728.964
where: short stacking energy: -322.507
Base-Backbone interact. energy: -1.907
local terms energy: -439.258009
where:
bonds (distance) C4'-P energy: -110.094
bonds (distance) P-C4' energy: -103.040
flat angles C4'-P-C4' energy: -95.113
flat angles P-C4'-P energy: -71.533
tors. eta vs tors. theta energy: -59.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -888.600473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.600473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.600473 (E_RNA)
where:
Base-Base interactions energy: -489.648
where: short stacking energy: -246.828
Base-Backbone interact. energy: -3.958
local terms energy: -394.994640
where:
bonds (distance) C4'-P energy: -116.194
bonds (distance) P-C4' energy: -87.702
flat angles C4'-P-C4' energy: -87.873
flat angles P-C4'-P energy: -65.517
tors. eta vs tors. theta energy: -37.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -723.173535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.173535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.173535 (E_RNA)
where:
Base-Base interactions energy: -346.555
where: short stacking energy: -163.851
Base-Backbone interact. energy: -1.280
local terms energy: -375.338367
where:
bonds (distance) C4'-P energy: -106.160
bonds (distance) P-C4' energy: -102.759
flat angles C4'-P-C4' energy: -82.725
flat angles P-C4'-P energy: -62.403
tors. eta vs tors. theta energy: -21.290
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: 6
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -644.486719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.486719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.486719 (E_RNA)
where:
Base-Base interactions energy: -306.346
where: short stacking energy: -179.710
Base-Backbone interact. energy: -1.101
local terms energy: -337.039566
where:
bonds (distance) C4'-P energy: -96.728
bonds (distance) P-C4' energy: -101.761
flat angles C4'-P-C4' energy: -82.192
flat angles P-C4'-P energy: -55.904
tors. eta vs tors. theta energy: -0.456
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: 8
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -2144.336902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.336902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.336902 (E_RNA)
where:
Base-Base interactions energy: -1477.280
where: short stacking energy: -645.542
Base-Backbone interact. energy: -0.011
local terms energy: -667.045832
where:
bonds (distance) C4'-P energy: -110.226
bonds (distance) P-C4' energy: -119.285
flat angles C4'-P-C4' energy: -143.845
flat angles P-C4'-P energy: -95.047
tors. eta vs tors. theta energy: -198.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -2025.033843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.033843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.033843 (E_RNA)
where:
Base-Base interactions energy: -1394.833
where: short stacking energy: -588.084
Base-Backbone interact. energy: -4.434
local terms energy: -625.766795
where:
bonds (distance) C4'-P energy: -108.868
bonds (distance) P-C4' energy: -117.317
flat angles C4'-P-C4' energy: -131.625
flat angles P-C4'-P energy: -83.946
tors. eta vs tors. theta energy: -184.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1924.403557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.403557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.403557 (E_RNA)
where:
Base-Base interactions energy: -1348.379
where: short stacking energy: -541.792
Base-Backbone interact. energy: 9.576
local terms energy: -585.600086
where:
bonds (distance) C4'-P energy: -116.930
bonds (distance) P-C4' energy: -106.454
flat angles C4'-P-C4' energy: -129.727
flat angles P-C4'-P energy: -80.759
tors. eta vs tors. theta energy: -151.730
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: 10
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1843.848997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.848997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.848997 (E_RNA)
where:
Base-Base interactions energy: -1277.412
where: short stacking energy: -552.274
Base-Backbone interact. energy: 2.357
local terms energy: -568.794571
where:
bonds (distance) C4'-P energy: -106.289
bonds (distance) P-C4' energy: -104.404
flat angles C4'-P-C4' energy: -112.458
flat angles P-C4'-P energy: -86.698
tors. eta vs tors. theta energy: -158.945
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: 9
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -1685.427363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.427363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.427363 (E_RNA)
where:
Base-Base interactions energy: -1140.532
where: short stacking energy: -483.535
Base-Backbone interact. energy: -2.114
local terms energy: -542.780469
where:
bonds (distance) C4'-P energy: -110.425
bonds (distance) P-C4' energy: -105.890
flat angles C4'-P-C4' energy: -116.047
flat angles P-C4'-P energy: -67.011
tors. eta vs tors. theta energy: -143.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -1434.035900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.035900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.035900 (E_RNA)
where:
Base-Base interactions energy: -924.084
where: short stacking energy: -407.062
Base-Backbone interact. energy: 2.364
local terms energy: -512.316558
where:
bonds (distance) C4'-P energy: -98.138
bonds (distance) P-C4' energy: -110.675
flat angles C4'-P-C4' energy: -116.273
flat angles P-C4'-P energy: -79.431
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: 7, replica: 1
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1150.347112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.347112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.347112 (E_RNA)
where:
Base-Base interactions energy: -708.844
where: short stacking energy: -348.518
Base-Backbone interact. energy: -1.970
local terms energy: -439.533589
where:
bonds (distance) C4'-P energy: -80.617
bonds (distance) P-C4' energy: -115.168
flat angles C4'-P-C4' energy: -110.574
flat angles P-C4'-P energy: -60.059
tors. eta vs tors. theta energy: -73.115
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: 5
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -884.894076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.894076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.894076 (E_RNA)
where:
Base-Base interactions energy: -473.859
where: short stacking energy: -250.871
Base-Backbone interact. energy: -3.275
local terms energy: -407.760096
where:
bonds (distance) C4'-P energy: -86.101
bonds (distance) P-C4' energy: -114.487
flat angles C4'-P-C4' energy: -103.384
flat angles P-C4'-P energy: -63.049
tors. eta vs tors. theta energy: -40.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -753.813726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.813726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.813726 (E_RNA)
where:
Base-Base interactions energy: -416.907
where: short stacking energy: -243.480
Base-Backbone interact. energy: -1.617
local terms energy: -335.289181
where:
bonds (distance) C4'-P energy: -79.714
bonds (distance) P-C4' energy: -79.650
flat angles C4'-P-C4' energy: -84.672
flat angles P-C4'-P energy: -52.948
tors. eta vs tors. theta energy: -38.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -632.280972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.280972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.280972 (E_RNA)
where:
Base-Base interactions energy: -302.361
where: short stacking energy: -174.324
Base-Backbone interact. energy: 1.994
local terms energy: -331.913596
where:
bonds (distance) C4'-P energy: -99.015
bonds (distance) P-C4' energy: -102.302
flat angles C4'-P-C4' energy: -89.685
flat angles P-C4'-P energy: -48.555
tors. eta vs tors. theta energy: 7.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -2139.953713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.953713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.953713 (E_RNA)
where:
Base-Base interactions energy: -1497.895
where: short stacking energy: -617.820
Base-Backbone interact. energy: -2.609
local terms energy: -639.449720
where:
bonds (distance) C4'-P energy: -101.522
bonds (distance) P-C4' energy: -123.981
flat angles C4'-P-C4' energy: -138.094
flat angles P-C4'-P energy: -88.422
tors. eta vs tors. theta energy: -187.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -2009.991486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.991486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.991486 (E_RNA)
where:
Base-Base interactions energy: -1382.455
where: short stacking energy: -587.463
Base-Backbone interact. energy: -2.055
local terms energy: -625.481641
where:
bonds (distance) C4'-P energy: -107.838
bonds (distance) P-C4' energy: -109.440
flat angles C4'-P-C4' energy: -137.456
flat angles P-C4'-P energy: -93.375
tors. eta vs tors. theta energy: -177.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1950.464610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.464610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.464610 (E_RNA)
where:
Base-Base interactions energy: -1374.286
where: short stacking energy: -540.286
Base-Backbone interact. energy: 5.798
local terms energy: -581.975958
where:
bonds (distance) C4'-P energy: -122.598
bonds (distance) P-C4' energy: -102.745
flat angles C4'-P-C4' energy: -126.417
flat angles P-C4'-P energy: -67.274
tors. eta vs tors. theta energy: -162.942
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: 10
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -1812.949340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.949340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.949340 (E_RNA)
where:
Base-Base interactions energy: -1246.495
where: short stacking energy: -516.995
Base-Backbone interact. energy: -3.303
local terms energy: -563.151307
where:
bonds (distance) C4'-P energy: -87.694
bonds (distance) P-C4' energy: -107.116
flat angles C4'-P-C4' energy: -130.021
flat angles P-C4'-P energy: -87.553
tors. eta vs tors. theta energy: -150.766
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: 5, replica: 9
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -1737.376436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.376436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.376436 (E_RNA)
where:
Base-Base interactions energy: -1179.252
where: short stacking energy: -503.202
Base-Backbone interact. energy: 4.571
local terms energy: -562.696156
where:
bonds (distance) C4'-P energy: -99.110
bonds (distance) P-C4' energy: -111.994
flat angles C4'-P-C4' energy: -130.744
flat angles P-C4'-P energy: -69.371
tors. eta vs tors. theta energy: -151.477
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: 6, replica: 3
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -1425.592829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.592829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.592829 (E_RNA)
where:
Base-Base interactions energy: -943.864
where: short stacking energy: -407.028
Base-Backbone interact. energy: -1.386
local terms energy: -480.342787
where:
bonds (distance) C4'-P energy: -95.194
bonds (distance) P-C4' energy: -102.878
flat angles C4'-P-C4' energy: -113.743
flat angles P-C4'-P energy: -67.879
tors. eta vs tors. theta energy: -100.649
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: 351
Temperature: 1.200000
Total energy: -1144.333744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.333744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.333744 (E_RNA)
where:
Base-Base interactions energy: -720.543
where: short stacking energy: -318.294
Base-Backbone interact. energy: 0.659
local terms energy: -424.450377
where:
bonds (distance) C4'-P energy: -81.922
bonds (distance) P-C4' energy: -111.191
flat angles C4'-P-C4' energy: -107.692
flat angles P-C4'-P energy: -62.859
tors. eta vs tors. theta energy: -60.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -864.606056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.606056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.606056 (E_RNA)
where:
Base-Base interactions energy: -474.988
where: short stacking energy: -233.705
Base-Backbone interact. energy: -3.351
local terms energy: -386.267570
where:
bonds (distance) C4'-P energy: -98.924
bonds (distance) P-C4' energy: -104.989
flat angles C4'-P-C4' energy: -92.686
flat angles P-C4'-P energy: -56.147
tors. eta vs tors. theta energy: -33.521
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: 9, replica: 2
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -781.775492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.775492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.775492 (E_RNA)
where:
Base-Base interactions energy: -412.277
where: short stacking energy: -227.477
Base-Backbone interact. energy: -0.721
local terms energy: -368.777429
where:
bonds (distance) C4'-P energy: -93.748
bonds (distance) P-C4' energy: -108.688
flat angles C4'-P-C4' energy: -101.446
flat angles P-C4'-P energy: -50.011
tors. eta vs tors. theta energy: -14.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -650.453567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.453567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.453567 (E_RNA)
where:
Base-Base interactions energy: -317.489
where: short stacking energy: -189.422
Base-Backbone interact. energy: -1.631
local terms energy: -331.333447
where:
bonds (distance) C4'-P energy: -96.285
bonds (distance) P-C4' energy: -103.777
flat angles C4'-P-C4' energy: -79.133
flat angles P-C4'-P energy: -42.466
tors. eta vs tors. theta energy: -9.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -2163.652121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.652121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.652121 (E_RNA)
where:
Base-Base interactions energy: -1517.672
where: short stacking energy: -646.413
Base-Backbone interact. energy: -1.129
local terms energy: -644.850724
where:
bonds (distance) C4'-P energy: -117.760
bonds (distance) P-C4' energy: -123.499
flat angles C4'-P-C4' energy: -136.054
flat angles P-C4'-P energy: -77.583
tors. eta vs tors. theta energy: -189.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -2056.085381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.085381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.085381 (E_RNA)
where:
Base-Base interactions energy: -1426.047
where: short stacking energy: -599.906
Base-Backbone interact. energy: -3.576
local terms energy: -626.462760
where:
bonds (distance) C4'-P energy: -116.172
bonds (distance) P-C4' energy: -113.066
flat angles C4'-P-C4' energy: -127.597
flat angles P-C4'-P energy: -85.769
tors. eta vs tors. theta energy: -183.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1943.560731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.560731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.560731 (E_RNA)
where:
Base-Base interactions energy: -1347.412
where: short stacking energy: -559.086
Base-Backbone interact. energy: 3.755
local terms energy: -599.903993
where:
bonds (distance) C4'-P energy: -109.972
bonds (distance) P-C4' energy: -104.778
flat angles C4'-P-C4' energy: -138.778
flat angles P-C4'-P energy: -83.032
tors. eta vs tors. theta energy: -163.342
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: 10
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -1821.419458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.419458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.419458 (E_RNA)
where:
Base-Base interactions energy: -1246.186
where: short stacking energy: -530.136
Base-Backbone interact. energy: 3.534
local terms energy: -578.767055
where:
bonds (distance) C4'-P energy: -112.938
bonds (distance) P-C4' energy: -103.523
flat angles C4'-P-C4' energy: -119.540
flat angles P-C4'-P energy: -78.092
tors. eta vs tors. theta energy: -164.674
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: 352
Temperature: 1.100000
Total energy: -1716.021242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.021242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.021242 (E_RNA)
where:
Base-Base interactions energy: -1173.859
where: short stacking energy: -500.353
Base-Backbone interact. energy: 0.869
local terms energy: -543.031027
where:
bonds (distance) C4'-P energy: -107.203
bonds (distance) P-C4' energy: -103.208
flat angles C4'-P-C4' energy: -119.142
flat angles P-C4'-P energy: -66.420
tors. eta vs tors. theta energy: -147.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -1391.544329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.544329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.544329 (E_RNA)
where:
Base-Base interactions energy: -891.217
where: short stacking energy: -416.171
Base-Backbone interact. energy: -1.109
local terms energy: -499.218803
where:
bonds (distance) C4'-P energy: -101.516
bonds (distance) P-C4' energy: -97.889
flat angles C4'-P-C4' energy: -112.266
flat angles P-C4'-P energy: -84.223
tors. eta vs tors. theta energy: -103.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1160.532675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.532675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.532675 (E_RNA)
where:
Base-Base interactions energy: -726.706
where: short stacking energy: -335.278
Base-Backbone interact. energy: -3.150
local terms energy: -430.676278
where:
bonds (distance) C4'-P energy: -84.902
bonds (distance) P-C4' energy: -107.221
flat angles C4'-P-C4' energy: -104.121
flat angles P-C4'-P energy: -74.425
tors. eta vs tors. theta energy: -60.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -874.602843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.602843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.602843 (E_RNA)
where:
Base-Base interactions energy: -481.657
where: short stacking energy: -244.261
Base-Backbone interact. energy: -2.260
local terms energy: -390.685745
where:
bonds (distance) C4'-P energy: -114.295
bonds (distance) P-C4' energy: -111.654
flat angles C4'-P-C4' energy: -95.586
flat angles P-C4'-P energy: -47.500
tors. eta vs tors. theta energy: -21.651
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: 2
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -782.843124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.843124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.843124 (E_RNA)
where:
Base-Base interactions energy: -433.331
where: short stacking energy: -227.446
Base-Backbone interact. energy: -2.699
local terms energy: -346.812634
where:
bonds (distance) C4'-P energy: -88.123
bonds (distance) P-C4' energy: -114.648
flat angles C4'-P-C4' energy: -83.821
flat angles P-C4'-P energy: -46.155
tors. eta vs tors. theta energy: -14.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -658.571275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.571275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.571275 (E_RNA)
where:
Base-Base interactions energy: -323.170
where: short stacking energy: -181.328
Base-Backbone interact. energy: 0.302
local terms energy: -335.702945
where:
bonds (distance) C4'-P energy: -97.054
bonds (distance) P-C4' energy: -82.534
flat angles C4'-P-C4' energy: -92.759
flat angles P-C4'-P energy: -58.253
tors. eta vs tors. theta energy: -5.103
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: 1, replica: 8
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -2141.989739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.989739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.989739 (E_RNA)
where:
Base-Base interactions energy: -1479.312
where: short stacking energy: -635.946
Base-Backbone interact. energy: -2.653
local terms energy: -660.025605
where:
bonds (distance) C4'-P energy: -114.145
bonds (distance) P-C4' energy: -118.051
flat angles C4'-P-C4' energy: -131.988
flat angles P-C4'-P energy: -96.526
tors. eta vs tors. theta energy: -199.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -2027.958432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.958432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.958432 (E_RNA)
where:
Base-Base interactions energy: -1407.918
where: short stacking energy: -572.883
Base-Backbone interact. energy: -1.586
local terms energy: -618.454327
where:
bonds (distance) C4'-P energy: -124.738
bonds (distance) P-C4' energy: -111.817
flat angles C4'-P-C4' energy: -128.664
flat angles P-C4'-P energy: -76.009
tors. eta vs tors. theta energy: -177.225
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: 4
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -1957.681703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.681703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.681703 (E_RNA)
where:
Base-Base interactions energy: -1384.564
where: short stacking energy: -564.966
Base-Backbone interact. energy: 3.534
local terms energy: -576.651667
where:
bonds (distance) C4'-P energy: -98.063
bonds (distance) P-C4' energy: -101.601
flat angles C4'-P-C4' energy: -134.535
flat angles P-C4'-P energy: -86.965
tors. eta vs tors. theta energy: -155.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1828.748091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.748091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.748091 (E_RNA)
where:
Base-Base interactions energy: -1254.077
where: short stacking energy: -517.728
Base-Backbone interact. energy: -0.378
local terms energy: -574.292833
where:
bonds (distance) C4'-P energy: -114.362
bonds (distance) P-C4' energy: -101.399
flat angles C4'-P-C4' energy: -119.287
flat angles P-C4'-P energy: -87.238
tors. eta vs tors. theta energy: -152.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -1715.908045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.908045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.908045 (E_RNA)
where:
Base-Base interactions energy: -1159.727
where: short stacking energy: -462.172
Base-Backbone interact. energy: -0.985
local terms energy: -555.196050
where:
bonds (distance) C4'-P energy: -105.480
bonds (distance) P-C4' energy: -104.638
flat angles C4'-P-C4' energy: -119.673
flat angles P-C4'-P energy: -86.775
tors. eta vs tors. theta energy: -138.629
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: 3
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -1399.911479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.911479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.911479 (E_RNA)
where:
Base-Base interactions energy: -934.773
where: short stacking energy: -412.358
Base-Backbone interact. energy: 1.493
local terms energy: -466.631908
where:
bonds (distance) C4'-P energy: -110.824
bonds (distance) P-C4' energy: -103.921
flat angles C4'-P-C4' energy: -108.180
flat angles P-C4'-P energy: -49.233
tors. eta vs tors. theta energy: -94.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1184.783897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.783897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.783897 (E_RNA)
where:
Base-Base interactions energy: -759.650
where: short stacking energy: -323.394
Base-Backbone interact. energy: 0.427
local terms energy: -425.560406
where:
bonds (distance) C4'-P energy: -80.439
bonds (distance) P-C4' energy: -105.129
flat angles C4'-P-C4' energy: -120.575
flat angles P-C4'-P energy: -72.862
tors. eta vs tors. theta energy: -46.556
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: 5
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -939.368089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.368089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.368089 (E_RNA)
where:
Base-Base interactions energy: -529.174
where: short stacking energy: -259.206
Base-Backbone interact. energy: -2.482
local terms energy: -407.712110
where:
bonds (distance) C4'-P energy: -109.249
bonds (distance) P-C4' energy: -101.128
flat angles C4'-P-C4' energy: -105.330
flat angles P-C4'-P energy: -40.338
tors. eta vs tors. theta energy: -51.667
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: 9, replica: 2
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -778.581946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.581946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.581946 (E_RNA)
where:
Base-Base interactions energy: -408.627
where: short stacking energy: -201.841
Base-Backbone interact. energy: -2.848
local terms energy: -367.106554
where:
bonds (distance) C4'-P energy: -96.803
bonds (distance) P-C4' energy: -103.758
flat angles C4'-P-C4' energy: -88.074
flat angles P-C4'-P energy: -60.617
tors. eta vs tors. theta energy: -17.855
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: 6
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -608.171222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.171222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.171222 (E_RNA)
where:
Base-Base interactions energy: -290.905
where: short stacking energy: -159.306
Base-Backbone interact. energy: -0.883
local terms energy: -316.382469
where:
bonds (distance) C4'-P energy: -89.649
bonds (distance) P-C4' energy: -97.443
flat angles C4'-P-C4' energy: -111.589
flat angles P-C4'-P energy: -30.273
tors. eta vs tors. theta energy: 12.570
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: 1, replica: 8
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -2157.368631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.368631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.368631 (E_RNA)
where:
Base-Base interactions energy: -1500.810
where: short stacking energy: -630.235
Base-Backbone interact. energy: -5.471
local terms energy: -651.087052
where:
bonds (distance) C4'-P energy: -107.557
bonds (distance) P-C4' energy: -118.420
flat angles C4'-P-C4' energy: -134.656
flat angles P-C4'-P energy: -91.596
tors. eta vs tors. theta energy: -198.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -2018.955463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.955463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.955463 (E_RNA)
where:
Base-Base interactions energy: -1393.659
where: short stacking energy: -589.611
Base-Backbone interact. energy: -1.334
local terms energy: -623.962358
where:
bonds (distance) C4'-P energy: -110.746
bonds (distance) P-C4' energy: -120.773
flat angles C4'-P-C4' energy: -125.496
flat angles P-C4'-P energy: -91.564
tors. eta vs tors. theta energy: -175.382
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: 3, replica: 4
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -1962.169959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.169959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.169959 (E_RNA)
where:
Base-Base interactions energy: -1369.403
where: short stacking energy: -549.634
Base-Backbone interact. energy: 3.788
local terms energy: -596.555417
where:
bonds (distance) C4'-P energy: -122.219
bonds (distance) P-C4' energy: -100.790
flat angles C4'-P-C4' energy: -127.349
flat angles P-C4'-P energy: -91.697
tors. eta vs tors. theta energy: -154.499
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: 10
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -1811.468590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.468590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.468590 (E_RNA)
where:
Base-Base interactions energy: -1240.681
where: short stacking energy: -513.647
Base-Backbone interact. energy: -4.025
local terms energy: -566.762178
where:
bonds (distance) C4'-P energy: -96.917
bonds (distance) P-C4' energy: -111.483
flat angles C4'-P-C4' energy: -123.474
flat angles P-C4'-P energy: -83.486
tors. eta vs tors. theta energy: -151.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -1713.312492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.312492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.312492 (E_RNA)
where:
Base-Base interactions energy: -1179.370
where: short stacking energy: -483.917
Base-Backbone interact. energy: -1.907
local terms energy: -532.034970
where:
bonds (distance) C4'-P energy: -92.257
bonds (distance) P-C4' energy: -110.089
flat angles C4'-P-C4' energy: -119.250
flat angles P-C4'-P energy: -75.917
tors. eta vs tors. theta energy: -134.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -1470.646813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.646813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.646813 (E_RNA)
where:
Base-Base interactions energy: -978.105
where: short stacking energy: -418.808
Base-Backbone interact. energy: -1.790
local terms energy: -490.752402
where:
bonds (distance) C4'-P energy: -103.360
bonds (distance) P-C4' energy: -114.715
flat angles C4'-P-C4' energy: -106.796
flat angles P-C4'-P energy: -58.295
tors. eta vs tors. theta energy: -107.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -1142.636067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.636067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.636067 (E_RNA)
where:
Base-Base interactions energy: -756.944
where: short stacking energy: -330.102
Base-Backbone interact. energy: -0.822
local terms energy: -384.870752
where:
bonds (distance) C4'-P energy: -78.470
bonds (distance) P-C4' energy: -97.517
flat angles C4'-P-C4' energy: -82.897
flat angles P-C4'-P energy: -68.962
tors. eta vs tors. theta energy: -57.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -870.033119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.033119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.033119 (E_RNA)
where:
Base-Base interactions energy: -516.463
where: short stacking energy: -267.694
Base-Backbone interact. energy: -0.885
local terms energy: -352.685141
where:
bonds (distance) C4'-P energy: -83.725
bonds (distance) P-C4' energy: -101.878
flat angles C4'-P-C4' energy: -93.630
flat angles P-C4'-P energy: -48.136
tors. eta vs tors. theta energy: -25.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -803.138269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.138269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.138269 (E_RNA)
where:
Base-Base interactions energy: -426.264
where: short stacking energy: -228.602
Base-Backbone interact. energy: 3.920
local terms energy: -380.795098
where:
bonds (distance) C4'-P energy: -105.777
bonds (distance) P-C4' energy: -87.524
flat angles C4'-P-C4' energy: -93.516
flat angles P-C4'-P energy: -65.808
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: 354
Temperature: 1.350000
Total energy: -620.067699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.067699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.067699 (E_RNA)
where:
Base-Base interactions energy: -296.260
where: short stacking energy: -170.358
Base-Backbone interact. energy: 1.351
local terms energy: -325.158559
where:
bonds (distance) C4'-P energy: -79.857
bonds (distance) P-C4' energy: -99.896
flat angles C4'-P-C4' energy: -89.132
flat angles P-C4'-P energy: -52.593
tors. eta vs tors. theta energy: -3.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -2129.793592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.793592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.793592 (E_RNA)
where:
Base-Base interactions energy: -1486.800
where: short stacking energy: -630.667
Base-Backbone interact. energy: 1.427
local terms energy: -644.420520
where:
bonds (distance) C4'-P energy: -115.283
bonds (distance) P-C4' energy: -116.160
flat angles C4'-P-C4' energy: -130.082
flat angles P-C4'-P energy: -85.521
tors. eta vs tors. theta energy: -197.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -2067.623017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.623017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.623017 (E_RNA)
where:
Base-Base interactions energy: -1441.288
where: short stacking energy: -594.398
Base-Backbone interact. energy: -0.570
local terms energy: -625.765680
where:
bonds (distance) C4'-P energy: -116.040
bonds (distance) P-C4' energy: -111.439
flat angles C4'-P-C4' energy: -126.714
flat angles P-C4'-P energy: -91.518
tors. eta vs tors. theta energy: -180.054
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: 3, replica: 4
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1972.024543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.024543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.024543 (E_RNA)
where:
Base-Base interactions energy: -1373.643
where: short stacking energy: -550.426
Base-Backbone interact. energy: 4.486
local terms energy: -602.867214
where:
bonds (distance) C4'-P energy: -125.074
bonds (distance) P-C4' energy: -109.499
flat angles C4'-P-C4' energy: -135.700
flat angles P-C4'-P energy: -75.353
tors. eta vs tors. theta energy: -157.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -1826.599300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.599300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.599300 (E_RNA)
where:
Base-Base interactions energy: -1255.500
where: short stacking energy: -522.985
Base-Backbone interact. energy: 0.686
local terms energy: -571.784970
where:
bonds (distance) C4'-P energy: -104.952
bonds (distance) P-C4' energy: -109.616
flat angles C4'-P-C4' energy: -116.449
flat angles P-C4'-P energy: -90.046
tors. eta vs tors. theta energy: -150.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -1713.238586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.238586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.238586 (E_RNA)
where:
Base-Base interactions energy: -1186.111
where: short stacking energy: -474.457
Base-Backbone interact. energy: -0.247
local terms energy: -526.880641
where:
bonds (distance) C4'-P energy: -106.743
bonds (distance) P-C4' energy: -88.126
flat angles C4'-P-C4' energy: -121.872
flat angles P-C4'-P energy: -75.417
tors. eta vs tors. theta energy: -134.723
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: 6, replica: 3
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -1486.192074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.192074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.192074 (E_RNA)
where:
Base-Base interactions energy: -961.861
where: short stacking energy: -415.423
Base-Backbone interact. energy: 0.432
local terms energy: -524.762639
where:
bonds (distance) C4'-P energy: -108.982
bonds (distance) P-C4' energy: -103.670
flat angles C4'-P-C4' energy: -122.584
flat angles P-C4'-P energy: -78.371
tors. eta vs tors. theta energy: -111.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1243.070197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.070197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.070197 (E_RNA)
where:
Base-Base interactions energy: -813.387
where: short stacking energy: -349.124
Base-Backbone interact. energy: 5.337
local terms energy: -435.020743
where:
bonds (distance) C4'-P energy: -93.732
bonds (distance) P-C4' energy: -102.297
flat angles C4'-P-C4' energy: -110.696
flat angles P-C4'-P energy: -56.922
tors. eta vs tors. theta energy: -71.374
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: 355
Temperature: 1.250000
Total energy: -972.129159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.129159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.129159 (E_RNA)
where:
Base-Base interactions energy: -594.155
where: short stacking energy: -272.357
Base-Backbone interact. energy: -2.282
local terms energy: -375.691991
where:
bonds (distance) C4'-P energy: -97.114
bonds (distance) P-C4' energy: -84.862
flat angles C4'-P-C4' energy: -97.018
flat angles P-C4'-P energy: -54.098
tors. eta vs tors. theta energy: -42.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -774.334725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.334725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.334725 (E_RNA)
where:
Base-Base interactions energy: -422.144
where: short stacking energy: -220.616
Base-Backbone interact. energy: -1.855
local terms energy: -350.335990
where:
bonds (distance) C4'-P energy: -95.642
bonds (distance) P-C4' energy: -100.158
flat angles C4'-P-C4' energy: -75.014
flat angles P-C4'-P energy: -60.398
tors. eta vs tors. theta energy: -19.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -652.365542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.365542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.365542 (E_RNA)
where:
Base-Base interactions energy: -348.805
where: short stacking energy: -171.885
Base-Backbone interact. energy: 2.162
local terms energy: -305.722495
where:
bonds (distance) C4'-P energy: -84.778
bonds (distance) P-C4' energy: -93.409
flat angles C4'-P-C4' energy: -83.573
flat angles P-C4'-P energy: -41.563
tors. eta vs tors. theta energy: -2.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -2153.033641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.033641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.033641 (E_RNA)
where:
Base-Base interactions energy: -1501.038
where: short stacking energy: -634.637
Base-Backbone interact. energy: -3.445
local terms energy: -648.549922
where:
bonds (distance) C4'-P energy: -106.994
bonds (distance) P-C4' energy: -109.320
flat angles C4'-P-C4' energy: -140.142
flat angles P-C4'-P energy: -90.441
tors. eta vs tors. theta energy: -201.653
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: 2, replica: 7
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -2020.073891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.073891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.073891 (E_RNA)
where:
Base-Base interactions energy: -1381.032
where: short stacking energy: -596.555
Base-Backbone interact. energy: -1.912
local terms energy: -637.129967
where:
bonds (distance) C4'-P energy: -125.982
bonds (distance) P-C4' energy: -108.456
flat angles C4'-P-C4' energy: -127.555
flat angles P-C4'-P energy: -94.328
tors. eta vs tors. theta energy: -180.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1968.689655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.689655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.689655 (E_RNA)
where:
Base-Base interactions energy: -1358.502
where: short stacking energy: -573.429
Base-Backbone interact. energy: 0.473
local terms energy: -610.661096
where:
bonds (distance) C4'-P energy: -100.734
bonds (distance) P-C4' energy: -117.413
flat angles C4'-P-C4' energy: -129.480
flat angles P-C4'-P energy: -99.263
tors. eta vs tors. theta energy: -163.771
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: 10
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -1802.771930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.771930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.771930 (E_RNA)
where:
Base-Base interactions energy: -1235.001
where: short stacking energy: -529.205
Base-Backbone interact. energy: 4.014
local terms energy: -571.784965
where:
bonds (distance) C4'-P energy: -120.506
bonds (distance) P-C4' energy: -97.088
flat angles C4'-P-C4' energy: -135.301
flat angles P-C4'-P energy: -75.436
tors. eta vs tors. theta energy: -143.455
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: 5, replica: 9
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -1749.150031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.150031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.150031 (E_RNA)
where:
Base-Base interactions energy: -1215.060
where: short stacking energy: -487.008
Base-Backbone interact. energy: -4.406
local terms energy: -529.683898
where:
bonds (distance) C4'-P energy: -106.505
bonds (distance) P-C4' energy: -105.425
flat angles C4'-P-C4' energy: -124.026
flat angles P-C4'-P energy: -57.545
tors. eta vs tors. theta energy: -136.183
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: 3
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -1483.653103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.653103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.653103 (E_RNA)
where:
Base-Base interactions energy: -975.654
where: short stacking energy: -438.240
Base-Backbone interact. energy: -1.329
local terms energy: -506.669910
where:
bonds (distance) C4'-P energy: -94.141
bonds (distance) P-C4' energy: -101.142
flat angles C4'-P-C4' energy: -115.078
flat angles P-C4'-P energy: -74.594
tors. eta vs tors. theta energy: -121.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -1174.012909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.012909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.012909 (E_RNA)
where:
Base-Base interactions energy: -766.216
where: short stacking energy: -355.686
Base-Backbone interact. energy: 5.435
local terms energy: -413.231483
where:
bonds (distance) C4'-P energy: -112.877
bonds (distance) P-C4' energy: -91.431
flat angles C4'-P-C4' energy: -90.973
flat angles P-C4'-P energy: -65.275
tors. eta vs tors. theta energy: -52.675
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: 356
Temperature: 1.250000
Total energy: -992.577796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.577796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.577796 (E_RNA)
where:
Base-Base interactions energy: -597.362
where: short stacking energy: -269.077
Base-Backbone interact. energy: -1.074
local terms energy: -394.142055
where:
bonds (distance) C4'-P energy: -97.035
bonds (distance) P-C4' energy: -109.088
flat angles C4'-P-C4' energy: -90.613
flat angles P-C4'-P energy: -52.349
tors. eta vs tors. theta energy: -45.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -751.790493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.790493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.790493 (E_RNA)
where:
Base-Base interactions energy: -412.915
where: short stacking energy: -221.286
Base-Backbone interact. energy: 0.948
local terms energy: -339.823581
where:
bonds (distance) C4'-P energy: -88.543
bonds (distance) P-C4' energy: -102.309
flat angles C4'-P-C4' energy: -69.985
flat angles P-C4'-P energy: -49.478
tors. eta vs tors. theta energy: -29.509
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: 6
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -640.902230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.902230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.902230 (E_RNA)
where:
Base-Base interactions energy: -314.046
where: short stacking energy: -159.115
Base-Backbone interact. energy: -2.076
local terms energy: -324.780088
where:
bonds (distance) C4'-P energy: -110.164
bonds (distance) P-C4' energy: -100.032
flat angles C4'-P-C4' energy: -81.325
flat angles P-C4'-P energy: -37.486
tors. eta vs tors. theta energy: 4.227
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: 8
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -2158.179618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.179618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.179618 (E_RNA)
where:
Base-Base interactions energy: -1497.189
where: short stacking energy: -617.933
Base-Backbone interact. energy: -2.195
local terms energy: -658.795575
where:
bonds (distance) C4'-P energy: -126.245
bonds (distance) P-C4' energy: -105.033
flat angles C4'-P-C4' energy: -136.179
flat angles P-C4'-P energy: -94.158
tors. eta vs tors. theta energy: -197.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -2048.840934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.840934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.840934 (E_RNA)
where:
Base-Base interactions energy: -1421.800
where: short stacking energy: -607.656
Base-Backbone interact. energy: -4.503
local terms energy: -622.537556
where:
bonds (distance) C4'-P energy: -112.734
bonds (distance) P-C4' energy: -106.162
flat angles C4'-P-C4' energy: -130.498
flat angles P-C4'-P energy: -88.578
tors. eta vs tors. theta energy: -184.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1992.909891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.909891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.909891 (E_RNA)
where:
Base-Base interactions energy: -1367.145
where: short stacking energy: -574.861
Base-Backbone interact. energy: -1.280
local terms energy: -624.484659
where:
bonds (distance) C4'-P energy: -110.070
bonds (distance) P-C4' energy: -120.636
flat angles C4'-P-C4' energy: -135.517
flat angles P-C4'-P energy: -90.226
tors. eta vs tors. theta energy: -168.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -1811.707538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.707538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.707538 (E_RNA)
where:
Base-Base interactions energy: -1206.481
where: short stacking energy: -534.718
Base-Backbone interact. energy: -2.651
local terms energy: -602.575586
where:
bonds (distance) C4'-P energy: -107.584
bonds (distance) P-C4' energy: -116.455
flat angles C4'-P-C4' energy: -128.391
flat angles P-C4'-P energy: -92.627
tors. eta vs tors. theta energy: -157.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -1718.890650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.890650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.890650 (E_RNA)
where:
Base-Base interactions energy: -1173.942
where: short stacking energy: -512.303
Base-Backbone interact. energy: 0.605
local terms energy: -545.553852
where:
bonds (distance) C4'-P energy: -96.222
bonds (distance) P-C4' energy: -104.649
flat angles C4'-P-C4' energy: -121.724
flat angles P-C4'-P energy: -73.230
tors. eta vs tors. theta energy: -149.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -1457.131180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.131180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.131180 (E_RNA)
where:
Base-Base interactions energy: -962.579
where: short stacking energy: -413.924
Base-Backbone interact. energy: -1.795
local terms energy: -492.756314
where:
bonds (distance) C4'-P energy: -107.570
bonds (distance) P-C4' energy: -101.468
flat angles C4'-P-C4' energy: -113.202
flat angles P-C4'-P energy: -57.487
tors. eta vs tors. theta energy: -113.030
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: 1
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -1243.523062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.523062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.523062 (E_RNA)
where:
Base-Base interactions energy: -798.479
where: short stacking energy: -346.214
Base-Backbone interact. energy: 4.159
local terms energy: -449.202752
where:
bonds (distance) C4'-P energy: -102.822
bonds (distance) P-C4' energy: -105.621
flat angles C4'-P-C4' energy: -103.868
flat angles P-C4'-P energy: -61.969
tors. eta vs tors. theta energy: -74.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -991.098328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.098328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.098328 (E_RNA)
where:
Base-Base interactions energy: -600.244
where: short stacking energy: -295.466
Base-Backbone interact. energy: 0.303
local terms energy: -391.157768
where:
bonds (distance) C4'-P energy: -98.181
bonds (distance) P-C4' energy: -86.236
flat angles C4'-P-C4' energy: -114.592
flat angles P-C4'-P energy: -47.783
tors. eta vs tors. theta energy: -44.366
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: 9, replica: 2
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -729.043197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.043197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.043197 (E_RNA)
where:
Base-Base interactions energy: -347.722
where: short stacking energy: -181.621
Base-Backbone interact. energy: -0.419
local terms energy: -380.902941
where:
bonds (distance) C4'-P energy: -94.594
bonds (distance) P-C4' energy: -106.491
flat angles C4'-P-C4' energy: -106.372
flat angles P-C4'-P energy: -48.628
tors. eta vs tors. theta energy: -24.818
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: 6
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -589.822754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.822754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.822754 (E_RNA)
where:
Base-Base interactions energy: -296.317
where: short stacking energy: -187.827
Base-Backbone interact. energy: -0.251
local terms energy: -293.253952
where:
bonds (distance) C4'-P energy: -88.990
bonds (distance) P-C4' energy: -89.659
flat angles C4'-P-C4' energy: -89.715
flat angles P-C4'-P energy: -25.845
tors. eta vs tors. theta energy: 0.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -2162.678777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.678777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.678777 (E_RNA)
where:
Base-Base interactions energy: -1492.394
where: short stacking energy: -615.739
Base-Backbone interact. energy: -1.381
local terms energy: -668.903302
where:
bonds (distance) C4'-P energy: -118.601
bonds (distance) P-C4' energy: -115.816
flat angles C4'-P-C4' energy: -142.481
flat angles P-C4'-P energy: -92.911
tors. eta vs tors. theta energy: -199.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -2074.898103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.898103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.898103 (E_RNA)
where:
Base-Base interactions energy: -1442.757
where: short stacking energy: -602.096
Base-Backbone interact. energy: -2.104
local terms energy: -630.037572
where:
bonds (distance) C4'-P energy: -117.224
bonds (distance) P-C4' energy: -110.098
flat angles C4'-P-C4' energy: -137.126
flat angles P-C4'-P energy: -82.083
tors. eta vs tors. theta energy: -183.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -1954.393572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.393572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.393572 (E_RNA)
where:
Base-Base interactions energy: -1345.223
where: short stacking energy: -538.137
Base-Backbone interact. energy: 0.477
local terms energy: -609.647926
where:
bonds (distance) C4'-P energy: -110.556
bonds (distance) P-C4' energy: -108.393
flat angles C4'-P-C4' energy: -138.828
flat angles P-C4'-P energy: -88.376
tors. eta vs tors. theta energy: -163.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -1838.879461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.879461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.879461 (E_RNA)
where:
Base-Base interactions energy: -1257.980
where: short stacking energy: -559.756
Base-Backbone interact. energy: -1.829
local terms energy: -579.069995
where:
bonds (distance) C4'-P energy: -106.666
bonds (distance) P-C4' energy: -110.208
flat angles C4'-P-C4' energy: -120.920
flat angles P-C4'-P energy: -73.888
tors. eta vs tors. theta energy: -167.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -1686.079128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.079128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.079128 (E_RNA)
where:
Base-Base interactions energy: -1171.492
where: short stacking energy: -486.050
Base-Backbone interact. energy: 0.876
local terms energy: -515.462734
where:
bonds (distance) C4'-P energy: -102.788
bonds (distance) P-C4' energy: -108.360
flat angles C4'-P-C4' energy: -109.526
flat angles P-C4'-P energy: -79.829
tors. eta vs tors. theta energy: -114.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1461.203689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.203689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.203689 (E_RNA)
where:
Base-Base interactions energy: -951.620
where: short stacking energy: -442.785
Base-Backbone interact. energy: -0.569
local terms energy: -509.015101
where:
bonds (distance) C4'-P energy: -100.452
bonds (distance) P-C4' energy: -83.853
flat angles C4'-P-C4' energy: -119.159
flat angles P-C4'-P energy: -81.961
tors. eta vs tors. theta energy: -123.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -1216.844276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.844276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.844276 (E_RNA)
where:
Base-Base interactions energy: -760.670
where: short stacking energy: -349.801
Base-Backbone interact. energy: -0.782
local terms energy: -455.392644
where:
bonds (distance) C4'-P energy: -73.316
bonds (distance) P-C4' energy: -104.392
flat angles C4'-P-C4' energy: -106.783
flat angles P-C4'-P energy: -85.591
tors. eta vs tors. theta energy: -85.311
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: 8, replica: 5
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -969.202352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.202352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.202352 (E_RNA)
where:
Base-Base interactions energy: -560.873
where: short stacking energy: -254.604
Base-Backbone interact. energy: -0.756
local terms energy: -407.573307
where:
bonds (distance) C4'-P energy: -112.196
bonds (distance) P-C4' energy: -86.888
flat angles C4'-P-C4' energy: -86.863
flat angles P-C4'-P energy: -63.801
tors. eta vs tors. theta energy: -57.826
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: 2
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -659.226490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.226490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.226490 (E_RNA)
where:
Base-Base interactions energy: -336.511
where: short stacking energy: -175.956
Base-Backbone interact. energy: 1.714
local terms energy: -324.428787
where:
bonds (distance) C4'-P energy: -93.239
bonds (distance) P-C4' energy: -85.282
flat angles C4'-P-C4' energy: -93.183
flat angles P-C4'-P energy: -53.259
tors. eta vs tors. theta energy: 0.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -584.567796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.567796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.567796 (E_RNA)
where:
Base-Base interactions energy: -260.364
where: short stacking energy: -139.654
Base-Backbone interact. energy: -1.667
local terms energy: -322.536998
where:
bonds (distance) C4'-P energy: -94.471
bonds (distance) P-C4' energy: -107.683
flat angles C4'-P-C4' energy: -72.170
flat angles P-C4'-P energy: -45.567
tors. eta vs tors. theta energy: -2.646
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: 8
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -2187.914736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.914736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.914736 (E_RNA)
where:
Base-Base interactions energy: -1514.477
where: short stacking energy: -656.992
Base-Backbone interact. energy: -3.966
local terms energy: -669.471536
where:
bonds (distance) C4'-P energy: -111.010
bonds (distance) P-C4' energy: -110.623
flat angles C4'-P-C4' energy: -149.603
flat angles P-C4'-P energy: -94.852
tors. eta vs tors. theta energy: -203.382
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: 7
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -2054.107082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.107082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.107082 (E_RNA)
where:
Base-Base interactions energy: -1427.740
where: short stacking energy: -597.386
Base-Backbone interact. energy: -3.813
local terms energy: -622.553994
where:
bonds (distance) C4'-P energy: -111.509
bonds (distance) P-C4' energy: -112.329
flat angles C4'-P-C4' energy: -131.228
flat angles P-C4'-P energy: -77.663
tors. eta vs tors. theta energy: -189.826
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: 4
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1952.734628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.734628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.734628 (E_RNA)
where:
Base-Base interactions energy: -1355.271
where: short stacking energy: -544.106
Base-Backbone interact. energy: -2.432
local terms energy: -595.031850
where:
bonds (distance) C4'-P energy: -117.101
bonds (distance) P-C4' energy: -99.853
flat angles C4'-P-C4' energy: -130.176
flat angles P-C4'-P energy: -76.835
tors. eta vs tors. theta energy: -171.067
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: 10
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -1853.402603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.402603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.402603 (E_RNA)
where:
Base-Base interactions energy: -1271.518
where: short stacking energy: -541.900
Base-Backbone interact. energy: -2.498
local terms energy: -579.386967
where:
bonds (distance) C4'-P energy: -109.924
bonds (distance) P-C4' energy: -111.535
flat angles C4'-P-C4' energy: -120.267
flat angles P-C4'-P energy: -77.179
tors. eta vs tors. theta energy: -160.482
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: 9
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -1688.173452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.173452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.173452 (E_RNA)
where:
Base-Base interactions energy: -1165.140
where: short stacking energy: -477.473
Base-Backbone interact. energy: -2.716
local terms energy: -520.317247
where:
bonds (distance) C4'-P energy: -88.704
bonds (distance) P-C4' energy: -119.065
flat angles C4'-P-C4' energy: -108.760
flat angles P-C4'-P energy: -75.767
tors. eta vs tors. theta energy: -128.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -1439.007043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.007043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.007043 (E_RNA)
where:
Base-Base interactions energy: -940.975
where: short stacking energy: -408.523
Base-Backbone interact. energy: -0.200
local terms energy: -497.832294
where:
bonds (distance) C4'-P energy: -108.213
bonds (distance) P-C4' energy: -111.062
flat angles C4'-P-C4' energy: -108.279
flat angles P-C4'-P energy: -74.140
tors. eta vs tors. theta energy: -96.138
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: 7, replica: 1
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1271.470151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.470151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.470151 (E_RNA)
where:
Base-Base interactions energy: -841.894
where: short stacking energy: -328.610
Base-Backbone interact. energy: 0.638
local terms energy: -430.214206
where:
bonds (distance) C4'-P energy: -97.534
bonds (distance) P-C4' energy: -98.568
flat angles C4'-P-C4' energy: -105.259
flat angles P-C4'-P energy: -62.484
tors. eta vs tors. theta energy: -66.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -959.461731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.461731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.461731 (E_RNA)
where:
Base-Base interactions energy: -549.225
where: short stacking energy: -262.718
Base-Backbone interact. energy: -1.719
local terms energy: -408.517287
where:
bonds (distance) C4'-P energy: -92.185
bonds (distance) P-C4' energy: -112.260
flat angles C4'-P-C4' energy: -103.823
flat angles P-C4'-P energy: -50.104
tors. eta vs tors. theta energy: -50.145
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: 2
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -652.947308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.947308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.947308 (E_RNA)
where:
Base-Base interactions energy: -345.631
where: short stacking energy: -181.218
Base-Backbone interact. energy: 4.398
local terms energy: -311.714369
where:
bonds (distance) C4'-P energy: -97.006
bonds (distance) P-C4' energy: -105.164
flat angles C4'-P-C4' energy: -71.871
flat angles P-C4'-P energy: -49.416
tors. eta vs tors. theta energy: 11.743
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: 6
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -583.908643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.908643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.908643 (E_RNA)
where:
Base-Base interactions energy: -275.438
where: short stacking energy: -154.375
Base-Backbone interact. energy: -1.392
local terms energy: -307.078838
where:
bonds (distance) C4'-P energy: -86.876
bonds (distance) P-C4' energy: -98.950
flat angles C4'-P-C4' energy: -70.650
flat angles P-C4'-P energy: -54.116
tors. eta vs tors. theta energy: 3.513
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: 8
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -2188.784090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.784090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.784090 (E_RNA)
where:
Base-Base interactions energy: -1514.223
where: short stacking energy: -639.698
Base-Backbone interact. energy: -4.194
local terms energy: -670.367073
where:
bonds (distance) C4'-P energy: -120.076
bonds (distance) P-C4' energy: -120.701
flat angles C4'-P-C4' energy: -137.650
flat angles P-C4'-P energy: -89.762
tors. eta vs tors. theta energy: -202.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -2063.207855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.207855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.207855 (E_RNA)
where:
Base-Base interactions energy: -1430.831
where: short stacking energy: -623.328
Base-Backbone interact. energy: -1.591
local terms energy: -630.785995
where:
bonds (distance) C4'-P energy: -112.182
bonds (distance) P-C4' energy: -107.194
flat angles C4'-P-C4' energy: -143.526
flat angles P-C4'-P energy: -83.874
tors. eta vs tors. theta energy: -184.010
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: 360
Temperature: 1.000000
Total energy: -1958.966850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.966850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.966850 (E_RNA)
where:
Base-Base interactions energy: -1379.165
where: short stacking energy: -561.951
Base-Backbone interact. energy: -5.367
local terms energy: -574.434212
where:
bonds (distance) C4'-P energy: -108.383
bonds (distance) P-C4' energy: -101.150
flat angles C4'-P-C4' energy: -124.016
flat angles P-C4'-P energy: -80.601
tors. eta vs tors. theta energy: -160.284
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: 4, replica: 10
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -1797.214354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.214354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.214354 (E_RNA)
where:
Base-Base interactions energy: -1206.332
where: short stacking energy: -505.996
Base-Backbone interact. energy: 2.825
local terms energy: -593.707865
where:
bonds (distance) C4'-P energy: -118.147
bonds (distance) P-C4' energy: -125.890
flat angles C4'-P-C4' energy: -119.934
flat angles P-C4'-P energy: -87.456
tors. eta vs tors. theta energy: -142.281
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: 9
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -1706.476969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.476969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.476969 (E_RNA)
where:
Base-Base interactions energy: -1161.497
where: short stacking energy: -474.438
Base-Backbone interact. energy: 0.429
local terms energy: -545.408533
where:
bonds (distance) C4'-P energy: -118.916
bonds (distance) P-C4' energy: -107.341
flat angles C4'-P-C4' energy: -115.542
flat angles P-C4'-P energy: -73.209
tors. eta vs tors. theta energy: -130.400
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: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -1482.640475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.640475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.640475 (E_RNA)
where:
Base-Base interactions energy: -964.348
where: short stacking energy: -424.712
Base-Backbone interact. energy: 0.472
local terms energy: -518.763686
where:
bonds (distance) C4'-P energy: -103.263
bonds (distance) P-C4' energy: -114.430
flat angles C4'-P-C4' energy: -117.129
flat angles P-C4'-P energy: -87.232
tors. eta vs tors. theta energy: -96.709
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: 360
Temperature: 1.200000
Total energy: -1321.129980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.129980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.129980 (E_RNA)
where:
Base-Base interactions energy: -858.527
where: short stacking energy: -360.487
Base-Backbone interact. energy: -3.967
local terms energy: -458.635784
where:
bonds (distance) C4'-P energy: -96.388
bonds (distance) P-C4' energy: -99.169
flat angles C4'-P-C4' energy: -96.607
flat angles P-C4'-P energy: -74.242
tors. eta vs tors. theta energy: -92.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -941.441199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.441199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.441199 (E_RNA)
where:
Base-Base interactions energy: -548.440
where: short stacking energy: -272.316
Base-Backbone interact. energy: -0.235
local terms energy: -392.766857
where:
bonds (distance) C4'-P energy: -92.881
bonds (distance) P-C4' energy: -93.287
flat angles C4'-P-C4' energy: -95.451
flat angles P-C4'-P energy: -61.702
tors. eta vs tors. theta energy: -49.446
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: 2
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -647.237749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.237749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.237749 (E_RNA)
where:
Base-Base interactions energy: -307.129
where: short stacking energy: -190.919
Base-Backbone interact. energy: -0.202
local terms energy: -339.906522
where:
bonds (distance) C4'-P energy: -92.380
bonds (distance) P-C4' energy: -97.947
flat angles C4'-P-C4' energy: -94.423
flat angles P-C4'-P energy: -56.195
tors. eta vs tors. theta energy: 1.039
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: 10, replica: 6
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -591.057580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.057580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.057580 (E_RNA)
where:
Base-Base interactions energy: -250.804
where: short stacking energy: -153.921
Base-Backbone interact. energy: -0.073
local terms energy: -340.181045
where:
bonds (distance) C4'-P energy: -96.462
bonds (distance) P-C4' energy: -105.419
flat angles C4'-P-C4' energy: -85.059
flat angles P-C4'-P energy: -56.823
tors. eta vs tors. theta energy: 3.582
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: 1, replica: 8
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -2182.280408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.280408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.280408 (E_RNA)
where:
Base-Base interactions energy: -1514.227
where: short stacking energy: -641.823
Base-Backbone interact. energy: -1.763
local terms energy: -666.290550
where:
bonds (distance) C4'-P energy: -115.867
bonds (distance) P-C4' energy: -119.248
flat angles C4'-P-C4' energy: -141.152
flat angles P-C4'-P energy: -89.940
tors. eta vs tors. theta energy: -200.083
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: 2, replica: 7
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -2056.113093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.113093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.113093 (E_RNA)
where:
Base-Base interactions energy: -1411.838
where: short stacking energy: -586.166
Base-Backbone interact. energy: -2.039
local terms energy: -642.235231
where:
bonds (distance) C4'-P energy: -111.162
bonds (distance) P-C4' energy: -129.739
flat angles C4'-P-C4' energy: -129.093
flat angles P-C4'-P energy: -87.075
tors. eta vs tors. theta energy: -185.166
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: 4
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1927.562103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.562103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.562103 (E_RNA)
where:
Base-Base interactions energy: -1339.874
where: short stacking energy: -530.209
Base-Backbone interact. energy: 10.253
local terms energy: -597.941268
where:
bonds (distance) C4'-P energy: -105.769
bonds (distance) P-C4' energy: -123.964
flat angles C4'-P-C4' energy: -123.709
flat angles P-C4'-P energy: -86.156
tors. eta vs tors. theta energy: -158.344
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: 10
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1825.481224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.481224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.481224 (E_RNA)
where:
Base-Base interactions energy: -1248.508
where: short stacking energy: -536.115
Base-Backbone interact. energy: 1.166
local terms energy: -578.139192
where:
bonds (distance) C4'-P energy: -111.212
bonds (distance) P-C4' energy: -117.283
flat angles C4'-P-C4' energy: -116.059
flat angles P-C4'-P energy: -84.167
tors. eta vs tors. theta energy: -149.418
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: 5, replica: 9
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1751.351220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.351220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.351220 (E_RNA)
where:
Base-Base interactions energy: -1211.497
where: short stacking energy: -471.294
Base-Backbone interact. energy: -1.149
local terms energy: -538.704654
where:
bonds (distance) C4'-P energy: -114.438
bonds (distance) P-C4' energy: -105.027
flat angles C4'-P-C4' energy: -119.172
flat angles P-C4'-P energy: -72.799
tors. eta vs tors. theta energy: -127.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -1463.776032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.776032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.776032 (E_RNA)
where:
Base-Base interactions energy: -984.915
where: short stacking energy: -412.371
Base-Backbone interact. energy: -2.583
local terms energy: -476.277789
where:
bonds (distance) C4'-P energy: -91.940
bonds (distance) P-C4' energy: -98.483
flat angles C4'-P-C4' energy: -109.652
flat angles P-C4'-P energy: -70.346
tors. eta vs tors. theta energy: -105.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1212.048218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.048218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.048218 (E_RNA)
where:
Base-Base interactions energy: -765.735
where: short stacking energy: -315.072
Base-Backbone interact. energy: 0.326
local terms energy: -446.639130
where:
bonds (distance) C4'-P energy: -103.450
bonds (distance) P-C4' energy: -101.361
flat angles C4'-P-C4' energy: -105.245
flat angles P-C4'-P energy: -69.064
tors. eta vs tors. theta energy: -67.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -949.001536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.001536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.001536 (E_RNA)
where:
Base-Base interactions energy: -535.939
where: short stacking energy: -276.902
Base-Backbone interact. energy: 5.681
local terms energy: -418.744494
where:
bonds (distance) C4'-P energy: -98.278
bonds (distance) P-C4' energy: -99.531
flat angles C4'-P-C4' energy: -98.047
flat angles P-C4'-P energy: -63.359
tors. eta vs tors. theta energy: -59.530
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: 2
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -680.154603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.154603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.154603 (E_RNA)
where:
Base-Base interactions energy: -316.273
where: short stacking energy: -178.657
Base-Backbone interact. energy: 4.772
local terms energy: -368.653680
where:
bonds (distance) C4'-P energy: -104.439
bonds (distance) P-C4' energy: -119.477
flat angles C4'-P-C4' energy: -87.397
flat angles P-C4'-P energy: -58.886
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: 10, replica: 6
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -619.569089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.569089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.569089 (E_RNA)
where:
Base-Base interactions energy: -271.976
where: short stacking energy: -173.364
Base-Backbone interact. energy: 3.389
local terms energy: -350.982020
where:
bonds (distance) C4'-P energy: -96.613
bonds (distance) P-C4' energy: -103.500
flat angles C4'-P-C4' energy: -87.491
flat angles P-C4'-P energy: -61.321
tors. eta vs tors. theta energy: -2.058
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: 1, replica: 8
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -2167.085694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.085694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.085694 (E_RNA)
where:
Base-Base interactions energy: -1505.253
where: short stacking energy: -625.140
Base-Backbone interact. energy: -1.728
local terms energy: -660.105427
where:
bonds (distance) C4'-P energy: -118.120
bonds (distance) P-C4' energy: -110.717
flat angles C4'-P-C4' energy: -139.343
flat angles P-C4'-P energy: -92.958
tors. eta vs tors. theta energy: -198.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -2063.995965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.995965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.995965 (E_RNA)
where:
Base-Base interactions energy: -1410.189
where: short stacking energy: -606.769
Base-Backbone interact. energy: -0.619
local terms energy: -653.187555
where:
bonds (distance) C4'-P energy: -119.642
bonds (distance) P-C4' energy: -114.549
flat angles C4'-P-C4' energy: -140.606
flat angles P-C4'-P energy: -91.235
tors. eta vs tors. theta energy: -187.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -1958.810614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.810614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.810614 (E_RNA)
where:
Base-Base interactions energy: -1357.251
where: short stacking energy: -548.723
Base-Backbone interact. energy: 0.412
local terms energy: -601.971455
where:
bonds (distance) C4'-P energy: -118.664
bonds (distance) P-C4' energy: -119.328
flat angles C4'-P-C4' energy: -128.180
flat angles P-C4'-P energy: -76.317
tors. eta vs tors. theta energy: -159.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -1830.659836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.659836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.659836 (E_RNA)
where:
Base-Base interactions energy: -1256.506
where: short stacking energy: -543.543
Base-Backbone interact. energy: -0.126
local terms energy: -574.027963
where:
bonds (distance) C4'-P energy: -104.758
bonds (distance) P-C4' energy: -109.766
flat angles C4'-P-C4' energy: -127.066
flat angles P-C4'-P energy: -80.231
tors. eta vs tors. theta energy: -152.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1725.043795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.043795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.043795 (E_RNA)
where:
Base-Base interactions energy: -1170.197
where: short stacking energy: -513.080
Base-Backbone interact. energy: -0.349
local terms energy: -554.497438
where:
bonds (distance) C4'-P energy: -104.379
bonds (distance) P-C4' energy: -113.024
flat angles C4'-P-C4' energy: -117.315
flat angles P-C4'-P energy: -79.160
tors. eta vs tors. theta energy: -140.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -1440.385702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.385702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.385702 (E_RNA)
where:
Base-Base interactions energy: -930.416
where: short stacking energy: -397.193
Base-Backbone interact. energy: -3.174
local terms energy: -506.796352
where:
bonds (distance) C4'-P energy: -91.312
bonds (distance) P-C4' energy: -104.158
flat angles C4'-P-C4' energy: -127.989
flat angles P-C4'-P energy: -71.283
tors. eta vs tors. theta energy: -112.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -1249.270636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.270636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.270636 (E_RNA)
where:
Base-Base interactions energy: -836.692
where: short stacking energy: -362.587
Base-Backbone interact. energy: -2.118
local terms energy: -410.460939
where:
bonds (distance) C4'-P energy: -87.464
bonds (distance) P-C4' energy: -107.950
flat angles C4'-P-C4' energy: -83.814
flat angles P-C4'-P energy: -57.368
tors. eta vs tors. theta energy: -73.864
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: 5
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -878.485273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.485273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.485273 (E_RNA)
where:
Base-Base interactions energy: -479.061
where: short stacking energy: -242.333
Base-Backbone interact. energy: -0.286
local terms energy: -399.137930
where:
bonds (distance) C4'-P energy: -102.890
bonds (distance) P-C4' energy: -110.916
flat angles C4'-P-C4' energy: -88.824
flat angles P-C4'-P energy: -56.454
tors. eta vs tors. theta energy: -40.055
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: 9, replica: 2
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -629.993006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.993006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.993006 (E_RNA)
where:
Base-Base interactions energy: -301.977
where: short stacking energy: -166.492
Base-Backbone interact. energy: 6.815
local terms energy: -334.830117
where:
bonds (distance) C4'-P energy: -95.542
bonds (distance) P-C4' energy: -93.537
flat angles C4'-P-C4' energy: -100.392
flat angles P-C4'-P energy: -50.460
tors. eta vs tors. theta energy: 5.101
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: 10, replica: 6
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -636.035619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.035619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.035619 (E_RNA)
where:
Base-Base interactions energy: -315.971
where: short stacking energy: -175.586
Base-Backbone interact. energy: 1.495
local terms energy: -321.559786
where:
bonds (distance) C4'-P energy: -88.682
bonds (distance) P-C4' energy: -95.619
flat angles C4'-P-C4' energy: -92.258
flat angles P-C4'-P energy: -51.807
tors. eta vs tors. theta energy: 6.806
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: 8
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -2153.302130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.302130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.302130 (E_RNA)
where:
Base-Base interactions energy: -1487.683
where: short stacking energy: -634.207
Base-Backbone interact. energy: -2.831
local terms energy: -662.787582
where:
bonds (distance) C4'-P energy: -105.356
bonds (distance) P-C4' energy: -119.066
flat angles C4'-P-C4' energy: -139.189
flat angles P-C4'-P energy: -100.293
tors. eta vs tors. theta energy: -198.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -2043.300463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.300463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.300463 (E_RNA)
where:
Base-Base interactions energy: -1415.369
where: short stacking energy: -593.531
Base-Backbone interact. energy: -2.368
local terms energy: -625.563301
where:
bonds (distance) C4'-P energy: -113.169
bonds (distance) P-C4' energy: -115.948
flat angles C4'-P-C4' energy: -123.331
flat angles P-C4'-P energy: -89.139
tors. eta vs tors. theta energy: -183.977
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: 4
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -1906.050028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.050028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.050028 (E_RNA)
where:
Base-Base interactions energy: -1328.498
where: short stacking energy: -537.573
Base-Backbone interact. energy: 1.969
local terms energy: -579.521254
where:
bonds (distance) C4'-P energy: -114.226
bonds (distance) P-C4' energy: -118.520
flat angles C4'-P-C4' energy: -130.537
flat angles P-C4'-P energy: -77.263
tors. eta vs tors. theta energy: -138.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -1847.718228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.718228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.718228 (E_RNA)
where:
Base-Base interactions energy: -1257.838
where: short stacking energy: -544.277
Base-Backbone interact. energy: -1.243
local terms energy: -588.637028
where:
bonds (distance) C4'-P energy: -104.550
bonds (distance) P-C4' energy: -114.892
flat angles C4'-P-C4' energy: -132.428
flat angles P-C4'-P energy: -62.987
tors. eta vs tors. theta energy: -173.781
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: 5, replica: 9
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1678.022524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.022524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.022524 (E_RNA)
where:
Base-Base interactions energy: -1152.689
where: short stacking energy: -473.265
Base-Backbone interact. energy: -2.288
local terms energy: -523.045212
where:
bonds (distance) C4'-P energy: -102.141
bonds (distance) P-C4' energy: -98.142
flat angles C4'-P-C4' energy: -115.151
flat angles P-C4'-P energy: -79.285
tors. eta vs tors. theta energy: -128.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -1465.777871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.777871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.777871 (E_RNA)
where:
Base-Base interactions energy: -965.653
where: short stacking energy: -419.543
Base-Backbone interact. energy: -2.989
local terms energy: -497.135464
where:
bonds (distance) C4'-P energy: -106.478
bonds (distance) P-C4' energy: -111.770
flat angles C4'-P-C4' energy: -106.205
flat angles P-C4'-P energy: -62.530
tors. eta vs tors. theta energy: -110.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -1216.170228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.170228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.170228 (E_RNA)
where:
Base-Base interactions energy: -766.866
where: short stacking energy: -306.339
Base-Backbone interact. energy: -3.575
local terms energy: -445.729333
where:
bonds (distance) C4'-P energy: -103.124
bonds (distance) P-C4' energy: -104.953
flat angles C4'-P-C4' energy: -114.090
flat angles P-C4'-P energy: -60.903
tors. eta vs tors. theta energy: -62.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -957.984286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.984286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.984286 (E_RNA)
where:
Base-Base interactions energy: -549.538
where: short stacking energy: -277.067
Base-Backbone interact. energy: -2.800
local terms energy: -405.645945
where:
bonds (distance) C4'-P energy: -86.869
bonds (distance) P-C4' energy: -98.286
flat angles C4'-P-C4' energy: -97.295
flat angles P-C4'-P energy: -74.308
tors. eta vs tors. theta energy: -48.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -666.966772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.966772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.966772 (E_RNA)
where:
Base-Base interactions energy: -322.677
where: short stacking energy: -178.645
Base-Backbone interact. energy: -1.106
local terms energy: -343.183248
where:
bonds (distance) C4'-P energy: -101.614
bonds (distance) P-C4' energy: -115.434
flat angles C4'-P-C4' energy: -80.123
flat angles P-C4'-P energy: -50.495
tors. eta vs tors. theta energy: 4.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -628.607075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.607075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.607075 (E_RNA)
where:
Base-Base interactions energy: -300.335
where: short stacking energy: -174.276
Base-Backbone interact. energy: -2.211
local terms energy: -326.061762
where:
bonds (distance) C4'-P energy: -92.497
bonds (distance) P-C4' energy: -105.351
flat angles C4'-P-C4' energy: -84.885
flat angles P-C4'-P energy: -45.286
tors. eta vs tors. theta energy: 1.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -2144.403958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.403958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.403958 (E_RNA)
where:
Base-Base interactions energy: -1488.746
where: short stacking energy: -635.497
Base-Backbone interact. energy: -1.770
local terms energy: -653.888135
where:
bonds (distance) C4'-P energy: -118.552
bonds (distance) P-C4' energy: -117.650
flat angles C4'-P-C4' energy: -124.709
flat angles P-C4'-P energy: -94.186
tors. eta vs tors. theta energy: -198.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -2036.434693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.434693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.434693 (E_RNA)
where:
Base-Base interactions energy: -1404.073
where: short stacking energy: -571.457
Base-Backbone interact. energy: -1.380
local terms energy: -630.981906
where:
bonds (distance) C4'-P energy: -115.019
bonds (distance) P-C4' energy: -116.410
flat angles C4'-P-C4' energy: -132.788
flat angles P-C4'-P energy: -93.023
tors. eta vs tors. theta energy: -173.742
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: 3, replica: 4
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -1925.990345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.990345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.990345 (E_RNA)
where:
Base-Base interactions energy: -1358.994
where: short stacking energy: -536.734
Base-Backbone interact. energy: -2.767
local terms energy: -564.228906
where:
bonds (distance) C4'-P energy: -102.294
bonds (distance) P-C4' energy: -109.623
flat angles C4'-P-C4' energy: -118.784
flat angles P-C4'-P energy: -76.413
tors. eta vs tors. theta energy: -157.115
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: 10
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -1873.439291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.439291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.439291 (E_RNA)
where:
Base-Base interactions energy: -1283.465
where: short stacking energy: -547.162
Base-Backbone interact. energy: 0.133
local terms energy: -590.106890
where:
bonds (distance) C4'-P energy: -104.789
bonds (distance) P-C4' energy: -109.132
flat angles C4'-P-C4' energy: -123.729
flat angles P-C4'-P energy: -92.667
tors. eta vs tors. theta energy: -159.791
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: 5, replica: 9
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -1694.195780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.195780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.195780 (E_RNA)
where:
Base-Base interactions energy: -1180.575
where: short stacking energy: -476.921
Base-Backbone interact. energy: 1.612
local terms energy: -515.232508
where:
bonds (distance) C4'-P energy: -101.984
bonds (distance) P-C4' energy: -105.125
flat angles C4'-P-C4' energy: -111.112
flat angles P-C4'-P energy: -73.588
tors. eta vs tors. theta energy: -123.423
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: 3
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -1462.928271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.928271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.928271 (E_RNA)
where:
Base-Base interactions energy: -968.070
where: short stacking energy: -416.749
Base-Backbone interact. energy: -0.022
local terms energy: -494.836061
where:
bonds (distance) C4'-P energy: -101.103
bonds (distance) P-C4' energy: -113.427
flat angles C4'-P-C4' energy: -107.864
flat angles P-C4'-P energy: -72.687
tors. eta vs tors. theta energy: -99.756
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: 1
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -1226.315180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.315180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.315180 (E_RNA)
where:
Base-Base interactions energy: -779.510
where: short stacking energy: -354.420
Base-Backbone interact. energy: -0.724
local terms energy: -446.081302
where:
bonds (distance) C4'-P energy: -94.586
bonds (distance) P-C4' energy: -103.361
flat angles C4'-P-C4' energy: -103.749
flat angles P-C4'-P energy: -67.882
tors. eta vs tors. theta energy: -76.503
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: 364
Temperature: 1.250000
Total energy: -926.366173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.366173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.366173 (E_RNA)
where:
Base-Base interactions energy: -540.695
where: short stacking energy: -264.664
Base-Backbone interact. energy: -3.045
local terms energy: -382.625664
where:
bonds (distance) C4'-P energy: -100.456
bonds (distance) P-C4' energy: -112.676
flat angles C4'-P-C4' energy: -77.323
flat angles P-C4'-P energy: -50.532
tors. eta vs tors. theta energy: -41.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -675.981693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.981693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.981693 (E_RNA)
where:
Base-Base interactions energy: -345.428
where: short stacking energy: -173.485
Base-Backbone interact. energy: -0.073
local terms energy: -330.480551
where:
bonds (distance) C4'-P energy: -105.233
bonds (distance) P-C4' energy: -98.679
flat angles C4'-P-C4' energy: -89.957
flat angles P-C4'-P energy: -45.978
tors. eta vs tors. theta energy: 9.367
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: 10, replica: 6
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -619.743336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.743336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.743336 (E_RNA)
where:
Base-Base interactions energy: -294.497
where: short stacking energy: -166.631
Base-Backbone interact. energy: 3.816
local terms energy: -329.062141
where:
bonds (distance) C4'-P energy: -82.672
bonds (distance) P-C4' energy: -105.420
flat angles C4'-P-C4' energy: -97.723
flat angles P-C4'-P energy: -46.665
tors. eta vs tors. theta energy: 3.418
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: 8
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -2175.181086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.181086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.181086 (E_RNA)
where:
Base-Base interactions energy: -1518.708
where: short stacking energy: -662.580
Base-Backbone interact. energy: -2.441
local terms energy: -654.032673
where:
bonds (distance) C4'-P energy: -110.262
bonds (distance) P-C4' energy: -114.345
flat angles C4'-P-C4' energy: -138.737
flat angles P-C4'-P energy: -89.443
tors. eta vs tors. theta energy: -201.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -2026.128382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.128382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.128382 (E_RNA)
where:
Base-Base interactions energy: -1394.658
where: short stacking energy: -576.273
Base-Backbone interact. energy: -0.440
local terms energy: -631.029812
where:
bonds (distance) C4'-P energy: -110.672
bonds (distance) P-C4' energy: -119.435
flat angles C4'-P-C4' energy: -132.030
flat angles P-C4'-P energy: -87.916
tors. eta vs tors. theta energy: -180.977
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: 4
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -1942.396957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.396957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.396957 (E_RNA)
where:
Base-Base interactions energy: -1360.393
where: short stacking energy: -543.855
Base-Backbone interact. energy: -2.078
local terms energy: -579.926536
where:
bonds (distance) C4'-P energy: -109.997
bonds (distance) P-C4' energy: -107.301
flat angles C4'-P-C4' energy: -125.492
flat angles P-C4'-P energy: -71.224
tors. eta vs tors. theta energy: -165.912
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: 10
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -1848.267930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.267930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.267930 (E_RNA)
where:
Base-Base interactions energy: -1256.006
where: short stacking energy: -544.448
Base-Backbone interact. energy: -0.094
local terms energy: -592.167678
where:
bonds (distance) C4'-P energy: -104.045
bonds (distance) P-C4' energy: -112.316
flat angles C4'-P-C4' energy: -136.398
flat angles P-C4'-P energy: -78.454
tors. eta vs tors. theta energy: -160.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -1681.978064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.978064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.978064 (E_RNA)
where:
Base-Base interactions energy: -1124.504
where: short stacking energy: -469.750
Base-Backbone interact. energy: -2.768
local terms energy: -554.705924
where:
bonds (distance) C4'-P energy: -113.659
bonds (distance) P-C4' energy: -122.790
flat angles C4'-P-C4' energy: -117.381
flat angles P-C4'-P energy: -80.275
tors. eta vs tors. theta energy: -120.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -1405.094576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.094576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.094576 (E_RNA)
where:
Base-Base interactions energy: -941.737
where: short stacking energy: -392.116
Base-Backbone interact. energy: -1.968
local terms energy: -461.389914
where:
bonds (distance) C4'-P energy: -103.437
bonds (distance) P-C4' energy: -97.125
flat angles C4'-P-C4' energy: -101.164
flat angles P-C4'-P energy: -57.910
tors. eta vs tors. theta energy: -101.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -1135.190860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.190860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.190860 (E_RNA)
where:
Base-Base interactions energy: -698.403
where: short stacking energy: -322.771
Base-Backbone interact. energy: 0.866
local terms energy: -437.653493
where:
bonds (distance) C4'-P energy: -92.297
bonds (distance) P-C4' energy: -104.248
flat angles C4'-P-C4' energy: -98.352
flat angles P-C4'-P energy: -68.438
tors. eta vs tors. theta energy: -74.319
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: 5
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -931.159829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.159829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.159829 (E_RNA)
where:
Base-Base interactions energy: -555.869
where: short stacking energy: -288.470
Base-Backbone interact. energy: -0.150
local terms energy: -375.140948
where:
bonds (distance) C4'-P energy: -80.744
bonds (distance) P-C4' energy: -94.833
flat angles C4'-P-C4' energy: -110.801
flat angles P-C4'-P energy: -44.326
tors. eta vs tors. theta energy: -44.438
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: 2
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -635.505677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.505677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.505677 (E_RNA)
where:
Base-Base interactions energy: -301.975
where: short stacking energy: -167.254
Base-Backbone interact. energy: 8.622
local terms energy: -342.152113
where:
bonds (distance) C4'-P energy: -93.774
bonds (distance) P-C4' energy: -99.873
flat angles C4'-P-C4' energy: -89.654
flat angles P-C4'-P energy: -55.650
tors. eta vs tors. theta energy: -3.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -598.410473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.410473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.410473 (E_RNA)
where:
Base-Base interactions energy: -296.220
where: short stacking energy: -183.506
Base-Backbone interact. energy: 0.852
local terms energy: -303.042354
where:
bonds (distance) C4'-P energy: -90.170
bonds (distance) P-C4' energy: -100.889
flat angles C4'-P-C4' energy: -77.104
flat angles P-C4'-P energy: -30.771
tors. eta vs tors. theta energy: -4.108
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: 8
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -2187.309461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.309461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.309461 (E_RNA)
where:
Base-Base interactions energy: -1524.184
where: short stacking energy: -633.658
Base-Backbone interact. energy: 0.671
local terms energy: -663.796307
where:
bonds (distance) C4'-P energy: -119.737
bonds (distance) P-C4' energy: -117.561
flat angles C4'-P-C4' energy: -138.684
flat angles P-C4'-P energy: -83.798
tors. eta vs tors. theta energy: -204.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -2050.381489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.381489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.381489 (E_RNA)
where:
Base-Base interactions energy: -1410.952
where: short stacking energy: -573.703
Base-Backbone interact. energy: -5.276
local terms energy: -634.153240
where:
bonds (distance) C4'-P energy: -108.626
bonds (distance) P-C4' energy: -124.776
flat angles C4'-P-C4' energy: -133.910
flat angles P-C4'-P energy: -91.726
tors. eta vs tors. theta energy: -175.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -1939.869110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.869110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.869110 (E_RNA)
where:
Base-Base interactions energy: -1346.712
where: short stacking energy: -522.539
Base-Backbone interact. energy: 0.311
local terms energy: -593.468107
where:
bonds (distance) C4'-P energy: -114.324
bonds (distance) P-C4' energy: -124.966
flat angles C4'-P-C4' energy: -119.390
flat angles P-C4'-P energy: -76.874
tors. eta vs tors. theta energy: -157.914
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: 4, replica: 10
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -1857.604537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.604537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.604537 (E_RNA)
where:
Base-Base interactions energy: -1266.316
where: short stacking energy: -528.387
Base-Backbone interact. energy: -2.291
local terms energy: -588.998365
where:
bonds (distance) C4'-P energy: -98.826
bonds (distance) P-C4' energy: -123.050
flat angles C4'-P-C4' energy: -127.495
flat angles P-C4'-P energy: -84.052
tors. eta vs tors. theta energy: -155.576
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: 9
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -1641.518689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.518689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.518689 (E_RNA)
where:
Base-Base interactions energy: -1133.227
where: short stacking energy: -468.544
Base-Backbone interact. energy: -4.401
local terms energy: -503.890884
where:
bonds (distance) C4'-P energy: -117.206
bonds (distance) P-C4' energy: -97.064
flat angles C4'-P-C4' energy: -92.411
flat angles P-C4'-P energy: -68.926
tors. eta vs tors. theta energy: -128.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1420.041242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.041242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.041242 (E_RNA)
where:
Base-Base interactions energy: -945.486
where: short stacking energy: -376.417
Base-Backbone interact. energy: -2.211
local terms energy: -472.343550
where:
bonds (distance) C4'-P energy: -113.682
bonds (distance) P-C4' energy: -107.730
flat angles C4'-P-C4' energy: -99.363
flat angles P-C4'-P energy: -53.416
tors. eta vs tors. theta energy: -98.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -1193.929332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.929332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.929332 (E_RNA)
where:
Base-Base interactions energy: -757.350
where: short stacking energy: -348.953
Base-Backbone interact. energy: 1.427
local terms energy: -438.006391
where:
bonds (distance) C4'-P energy: -92.943
bonds (distance) P-C4' energy: -105.193
flat angles C4'-P-C4' energy: -98.574
flat angles P-C4'-P energy: -68.404
tors. eta vs tors. theta energy: -72.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -914.508760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.508760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.508760 (E_RNA)
where:
Base-Base interactions energy: -517.855
where: short stacking energy: -238.004
Base-Backbone interact. energy: -5.057
local terms energy: -391.596386
where:
bonds (distance) C4'-P energy: -90.271
bonds (distance) P-C4' energy: -100.111
flat angles C4'-P-C4' energy: -106.022
flat angles P-C4'-P energy: -59.180
tors. eta vs tors. theta energy: -36.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -702.391487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.391487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.391487 (E_RNA)
where:
Base-Base interactions energy: -358.512
where: short stacking energy: -193.874
Base-Backbone interact. energy: 0.463
local terms energy: -344.342122
where:
bonds (distance) C4'-P energy: -102.602
bonds (distance) P-C4' energy: -107.794
flat angles C4'-P-C4' energy: -68.230
flat angles P-C4'-P energy: -57.845
tors. eta vs tors. theta energy: -7.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -646.538214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.538214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.538214 (E_RNA)
where:
Base-Base interactions energy: -314.987
where: short stacking energy: -186.559
Base-Backbone interact. energy: -2.988
local terms energy: -328.563674
where:
bonds (distance) C4'-P energy: -89.169
bonds (distance) P-C4' energy: -95.635
flat angles C4'-P-C4' energy: -78.880
flat angles P-C4'-P energy: -50.762
tors. eta vs tors. theta energy: -14.117
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: 8
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -2195.532615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.532615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.532615 (E_RNA)
where:
Base-Base interactions energy: -1515.749
where: short stacking energy: -642.546
Base-Backbone interact. energy: -1.576
local terms energy: -678.206680
where:
bonds (distance) C4'-P energy: -119.095
bonds (distance) P-C4' energy: -123.379
flat angles C4'-P-C4' energy: -137.885
flat angles P-C4'-P energy: -101.564
tors. eta vs tors. theta energy: -196.284
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: 4
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1999.598578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.598578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.598578 (E_RNA)
where:
Base-Base interactions energy: -1413.076
where: short stacking energy: -566.536
Base-Backbone interact. energy: -1.265
local terms energy: -585.257554
where:
bonds (distance) C4'-P energy: -102.169
bonds (distance) P-C4' energy: -106.165
flat angles C4'-P-C4' energy: -133.457
flat angles P-C4'-P energy: -84.141
tors. eta vs tors. theta energy: -159.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -1989.653261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.653261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.653261 (E_RNA)
where:
Base-Base interactions energy: -1360.214
where: short stacking energy: -581.697
Base-Backbone interact. energy: -1.760
local terms energy: -627.679460
where:
bonds (distance) C4'-P energy: -113.496
bonds (distance) P-C4' energy: -113.440
flat angles C4'-P-C4' energy: -119.687
flat angles P-C4'-P energy: -93.013
tors. eta vs tors. theta energy: -188.044
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: 10
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -1858.450990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.450990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.450990 (E_RNA)
where:
Base-Base interactions energy: -1278.633
where: short stacking energy: -559.586
Base-Backbone interact. energy: -0.279
local terms energy: -579.538691
where:
bonds (distance) C4'-P energy: -105.210
bonds (distance) P-C4' energy: -103.422
flat angles C4'-P-C4' energy: -131.085
flat angles P-C4'-P energy: -75.817
tors. eta vs tors. theta energy: -164.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -1659.662007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.662007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.662007 (E_RNA)
where:
Base-Base interactions energy: -1121.068
where: short stacking energy: -468.238
Base-Backbone interact. energy: 2.698
local terms energy: -541.291441
where:
bonds (distance) C4'-P energy: -99.492
bonds (distance) P-C4' energy: -104.100
flat angles C4'-P-C4' energy: -122.230
flat angles P-C4'-P energy: -82.014
tors. eta vs tors. theta energy: -133.454
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: 6, replica: 3
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1403.938501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.938501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.938501 (E_RNA)
where:
Base-Base interactions energy: -908.067
where: short stacking energy: -412.004
Base-Backbone interact. energy: 1.726
local terms energy: -497.598226
where:
bonds (distance) C4'-P energy: -104.616
bonds (distance) P-C4' energy: -94.968
flat angles C4'-P-C4' energy: -123.270
flat angles P-C4'-P energy: -64.153
tors. eta vs tors. theta energy: -110.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -1196.230571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.230571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.230571 (E_RNA)
where:
Base-Base interactions energy: -756.510
where: short stacking energy: -348.403
Base-Backbone interact. energy: -1.051
local terms energy: -438.669760
where:
bonds (distance) C4'-P energy: -97.807
bonds (distance) P-C4' energy: -87.963
flat angles C4'-P-C4' energy: -106.317
flat angles P-C4'-P energy: -69.660
tors. eta vs tors. theta energy: -76.922
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: 367
Temperature: 1.250000
Total energy: -917.452246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.452246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.452246 (E_RNA)
where:
Base-Base interactions energy: -516.220
where: short stacking energy: -253.282
Base-Backbone interact. energy: 2.313
local terms energy: -403.544601
where:
bonds (distance) C4'-P energy: -101.754
bonds (distance) P-C4' energy: -91.831
flat angles C4'-P-C4' energy: -103.959
flat angles P-C4'-P energy: -59.678
tors. eta vs tors. theta energy: -46.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -792.763704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.763704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.763704 (E_RNA)
where:
Base-Base interactions energy: -428.194
where: short stacking energy: -195.737
Base-Backbone interact. energy: -0.193
local terms energy: -364.376306
where:
bonds (distance) C4'-P energy: -97.145
bonds (distance) P-C4' energy: -102.398
flat angles C4'-P-C4' energy: -118.291
flat angles P-C4'-P energy: -64.160
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: 10, replica: 6
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -599.998695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.998695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.998695 (E_RNA)
where:
Base-Base interactions energy: -291.557
where: short stacking energy: -186.082
Base-Backbone interact. energy: -1.512
local terms energy: -306.929864
where:
bonds (distance) C4'-P energy: -98.199
bonds (distance) P-C4' energy: -86.147
flat angles C4'-P-C4' energy: -61.633
flat angles P-C4'-P energy: -53.141
tors. eta vs tors. theta energy: -7.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -2187.982487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.982487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.982487 (E_RNA)
where:
Base-Base interactions energy: -1523.265
where: short stacking energy: -645.087
Base-Backbone interact. energy: -2.737
local terms energy: -661.980180
where:
bonds (distance) C4'-P energy: -112.596
bonds (distance) P-C4' energy: -115.856
flat angles C4'-P-C4' energy: -136.888
flat angles P-C4'-P energy: -98.876
tors. eta vs tors. theta energy: -197.765
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: 368
Temperature: 0.950000
Total energy: -1999.369355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.369355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.369355 (E_RNA)
where:
Base-Base interactions energy: -1408.594
where: short stacking energy: -571.293
Base-Backbone interact. energy: 8.968
local terms energy: -599.743347
where:
bonds (distance) C4'-P energy: -112.761
bonds (distance) P-C4' energy: -121.835
flat angles C4'-P-C4' energy: -127.843
flat angles P-C4'-P energy: -73.602
tors. eta vs tors. theta energy: -163.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -2001.485914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.485914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.485914 (E_RNA)
where:
Base-Base interactions energy: -1392.618
where: short stacking energy: -569.482
Base-Backbone interact. energy: -2.737
local terms energy: -606.131191
where:
bonds (distance) C4'-P energy: -120.908
bonds (distance) P-C4' energy: -101.180
flat angles C4'-P-C4' energy: -134.740
flat angles P-C4'-P energy: -75.551
tors. eta vs tors. theta energy: -173.753
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: 10
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -1845.803336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.803336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.803336 (E_RNA)
where:
Base-Base interactions energy: -1260.194
where: short stacking energy: -531.362
Base-Backbone interact. energy: -2.190
local terms energy: -583.419363
where:
bonds (distance) C4'-P energy: -105.564
bonds (distance) P-C4' energy: -114.090
flat angles C4'-P-C4' energy: -123.358
flat angles P-C4'-P energy: -85.368
tors. eta vs tors. theta energy: -155.039
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: 5, replica: 9
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1637.457021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.457021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.457021 (E_RNA)
where:
Base-Base interactions energy: -1099.091
where: short stacking energy: -444.983
Base-Backbone interact. energy: -2.251
local terms energy: -536.114966
where:
bonds (distance) C4'-P energy: -99.072
bonds (distance) P-C4' energy: -112.028
flat angles C4'-P-C4' energy: -124.022
flat angles P-C4'-P energy: -83.395
tors. eta vs tors. theta energy: -117.598
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: 3
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -1352.815518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.815518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.815518 (E_RNA)
where:
Base-Base interactions energy: -893.943
where: short stacking energy: -395.539
Base-Backbone interact. energy: 1.863
local terms energy: -460.736075
where:
bonds (distance) C4'-P energy: -86.628
bonds (distance) P-C4' energy: -109.321
flat angles C4'-P-C4' energy: -102.075
flat angles P-C4'-P energy: -69.969
tors. eta vs tors. theta energy: -92.743
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: 7, replica: 1
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -1214.358897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.358897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.358897 (E_RNA)
where:
Base-Base interactions energy: -752.077
where: short stacking energy: -349.224
Base-Backbone interact. energy: 4.840
local terms energy: -467.121861
where:
bonds (distance) C4'-P energy: -89.796
bonds (distance) P-C4' energy: -98.853
flat angles C4'-P-C4' energy: -107.037
flat angles P-C4'-P energy: -76.538
tors. eta vs tors. theta energy: -94.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -931.940242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.940242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.940242 (E_RNA)
where:
Base-Base interactions energy: -559.692
where: short stacking energy: -275.420
Base-Backbone interact. energy: 11.904
local terms energy: -384.152099
where:
bonds (distance) C4'-P energy: -106.144
bonds (distance) P-C4' energy: -95.837
flat angles C4'-P-C4' energy: -87.531
flat angles P-C4'-P energy: -58.729
tors. eta vs tors. theta energy: -35.911
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: 2
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -706.921831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.921831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.921831 (E_RNA)
where:
Base-Base interactions energy: -382.004
where: short stacking energy: -177.180
Base-Backbone interact. energy: 2.410
local terms energy: -327.327566
where:
bonds (distance) C4'-P energy: -96.450
bonds (distance) P-C4' energy: -99.673
flat angles C4'-P-C4' energy: -87.254
flat angles P-C4'-P energy: -52.472
tors. eta vs tors. theta energy: 8.521
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: 6
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -614.668118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.668118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.668118 (E_RNA)
where:
Base-Base interactions energy: -302.238
where: short stacking energy: -167.507
Base-Backbone interact. energy: 4.272
local terms energy: -316.702502
where:
bonds (distance) C4'-P energy: -91.555
bonds (distance) P-C4' energy: -84.040
flat angles C4'-P-C4' energy: -69.738
flat angles P-C4'-P energy: -73.265
tors. eta vs tors. theta energy: 1.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -2178.069548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.069548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.069548 (E_RNA)
where:
Base-Base interactions energy: -1511.152
where: short stacking energy: -651.830
Base-Backbone interact. energy: -2.391
local terms energy: -664.526514
where:
bonds (distance) C4'-P energy: -107.895
bonds (distance) P-C4' energy: -119.297
flat angles C4'-P-C4' energy: -143.739
flat angles P-C4'-P energy: -99.506
tors. eta vs tors. theta energy: -194.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1967.602096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.602096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.602096 (E_RNA)
where:
Base-Base interactions energy: -1382.246
where: short stacking energy: -563.809
Base-Backbone interact. energy: 1.799
local terms energy: -587.155253
where:
bonds (distance) C4'-P energy: -108.640
bonds (distance) P-C4' energy: -120.164
flat angles C4'-P-C4' energy: -136.276
flat angles P-C4'-P energy: -73.384
tors. eta vs tors. theta energy: -148.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -2028.648602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.648602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.648602 (E_RNA)
where:
Base-Base interactions energy: -1417.692
where: short stacking energy: -584.426
Base-Backbone interact. energy: -2.235
local terms energy: -608.721208
where:
bonds (distance) C4'-P energy: -114.200
bonds (distance) P-C4' energy: -120.655
flat angles C4'-P-C4' energy: -132.275
flat angles P-C4'-P energy: -73.757
tors. eta vs tors. theta energy: -167.834
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: 10
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -1841.112296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.112296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.112296 (E_RNA)
where:
Base-Base interactions energy: -1266.887
where: short stacking energy: -511.970
Base-Backbone interact. energy: 0.420
local terms energy: -574.644804
where:
bonds (distance) C4'-P energy: -106.287
bonds (distance) P-C4' energy: -120.887
flat angles C4'-P-C4' energy: -113.873
flat angles P-C4'-P energy: -77.832
tors. eta vs tors. theta energy: -155.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -1656.538233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.538233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.538233 (E_RNA)
where:
Base-Base interactions energy: -1116.286
where: short stacking energy: -463.277
Base-Backbone interact. energy: 2.898
local terms energy: -543.150670
where:
bonds (distance) C4'-P energy: -107.112
bonds (distance) P-C4' energy: -103.747
flat angles C4'-P-C4' energy: -119.430
flat angles P-C4'-P energy: -73.223
tors. eta vs tors. theta energy: -139.638
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: 3
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -1440.340566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.340566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.340566 (E_RNA)
where:
Base-Base interactions energy: -935.825
where: short stacking energy: -407.834
Base-Backbone interact. energy: 0.921
local terms energy: -505.436570
where:
bonds (distance) C4'-P energy: -102.259
bonds (distance) P-C4' energy: -106.020
flat angles C4'-P-C4' energy: -118.614
flat angles P-C4'-P energy: -49.546
tors. eta vs tors. theta energy: -128.997
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: 7, replica: 1
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1172.902519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.902519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.902519 (E_RNA)
where:
Base-Base interactions energy: -720.496
where: short stacking energy: -326.448
Base-Backbone interact. energy: -2.551
local terms energy: -449.854670
where:
bonds (distance) C4'-P energy: -101.304
bonds (distance) P-C4' energy: -99.604
flat angles C4'-P-C4' energy: -111.844
flat angles P-C4'-P energy: -67.907
tors. eta vs tors. theta energy: -69.196
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: 369
Temperature: 1.250000
Total energy: -880.542396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.542396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.542396 (E_RNA)
where:
Base-Base interactions energy: -533.509
where: short stacking energy: -246.031
Base-Backbone interact. energy: 5.366
local terms energy: -352.398922
where:
bonds (distance) C4'-P energy: -94.390
bonds (distance) P-C4' energy: -93.757
flat angles C4'-P-C4' energy: -105.976
flat angles P-C4'-P energy: -46.974
tors. eta vs tors. theta energy: -11.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -728.827447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.827447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.827447 (E_RNA)
where:
Base-Base interactions energy: -379.158
where: short stacking energy: -195.047
Base-Backbone interact. energy: 2.280
local terms energy: -351.949320
where:
bonds (distance) C4'-P energy: -102.563
bonds (distance) P-C4' energy: -104.249
flat angles C4'-P-C4' energy: -92.724
flat angles P-C4'-P energy: -48.314
tors. eta vs tors. theta energy: -4.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -620.540002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.540002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.540002 (E_RNA)
where:
Base-Base interactions energy: -321.378
where: short stacking energy: -183.633
Base-Backbone interact. energy: 3.718
local terms energy: -302.879646
where:
bonds (distance) C4'-P energy: -85.670
bonds (distance) P-C4' energy: -79.103
flat angles C4'-P-C4' energy: -80.148
flat angles P-C4'-P energy: -53.761
tors. eta vs tors. theta energy: -4.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -2205.022210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.022210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.022210 (E_RNA)
where:
Base-Base interactions energy: -1535.149
where: short stacking energy: -672.744
Base-Backbone interact. energy: -1.709
local terms energy: -668.164016
where:
bonds (distance) C4'-P energy: -118.476
bonds (distance) P-C4' energy: -113.960
flat angles C4'-P-C4' energy: -140.709
flat angles P-C4'-P energy: -92.980
tors. eta vs tors. theta energy: -202.040
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: 2, replica: 4
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1995.100287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.100287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.100287 (E_RNA)
where:
Base-Base interactions energy: -1389.437
where: short stacking energy: -560.423
Base-Backbone interact. energy: 1.211
local terms energy: -606.874442
where:
bonds (distance) C4'-P energy: -116.283
bonds (distance) P-C4' energy: -112.136
flat angles C4'-P-C4' energy: -124.893
flat angles P-C4'-P energy: -92.762
tors. eta vs tors. theta energy: -160.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -2016.391229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.391229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.391229 (E_RNA)
where:
Base-Base interactions energy: -1376.447
where: short stacking energy: -576.918
Base-Backbone interact. energy: -2.532
local terms energy: -637.411786
where:
bonds (distance) C4'-P energy: -109.730
bonds (distance) P-C4' energy: -119.770
flat angles C4'-P-C4' energy: -131.399
flat angles P-C4'-P energy: -84.535
tors. eta vs tors. theta energy: -191.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -1877.903843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.903843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.903843 (E_RNA)
where:
Base-Base interactions energy: -1284.933
where: short stacking energy: -553.323
Base-Backbone interact. energy: -2.911
local terms energy: -590.059738
where:
bonds (distance) C4'-P energy: -97.811
bonds (distance) P-C4' energy: -112.970
flat angles C4'-P-C4' energy: -122.830
flat angles P-C4'-P energy: -88.860
tors. eta vs tors. theta energy: -167.589
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: 9
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -1683.550105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.550105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.550105 (E_RNA)
where:
Base-Base interactions energy: -1128.490
where: short stacking energy: -482.929
Base-Backbone interact. energy: -4.103
local terms energy: -550.956619
where:
bonds (distance) C4'-P energy: -102.154
bonds (distance) P-C4' energy: -92.332
flat angles C4'-P-C4' energy: -131.960
flat angles P-C4'-P energy: -83.676
tors. eta vs tors. theta energy: -140.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1481.738870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.738870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.738870 (E_RNA)
where:
Base-Base interactions energy: -961.425
where: short stacking energy: -430.444
Base-Backbone interact. energy: -1.111
local terms energy: -519.202689
where:
bonds (distance) C4'-P energy: -107.881
bonds (distance) P-C4' energy: -110.324
flat angles C4'-P-C4' energy: -119.392
flat angles P-C4'-P energy: -71.061
tors. eta vs tors. theta energy: -110.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1146.123338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.123338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.123338 (E_RNA)
where:
Base-Base interactions energy: -704.076
where: short stacking energy: -331.162
Base-Backbone interact. energy: -3.093
local terms energy: -438.954129
where:
bonds (distance) C4'-P energy: -106.785
bonds (distance) P-C4' energy: -93.617
flat angles C4'-P-C4' energy: -101.302
flat angles P-C4'-P energy: -65.845
tors. eta vs tors. theta energy: -71.405
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: 370
Temperature: 1.250000
Total energy: -890.042107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.042107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.042107 (E_RNA)
where:
Base-Base interactions energy: -510.709
where: short stacking energy: -239.182
Base-Backbone interact. energy: -0.440
local terms energy: -378.893167
where:
bonds (distance) C4'-P energy: -86.305
bonds (distance) P-C4' energy: -108.614
flat angles C4'-P-C4' energy: -94.681
flat angles P-C4'-P energy: -63.724
tors. eta vs tors. theta energy: -25.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -839.909462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.909462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.909462 (E_RNA)
where:
Base-Base interactions energy: -487.944
where: short stacking energy: -265.171
Base-Backbone interact. energy: -1.531
local terms energy: -350.434132
where:
bonds (distance) C4'-P energy: -75.779
bonds (distance) P-C4' energy: -103.530
flat angles C4'-P-C4' energy: -81.783
flat angles P-C4'-P energy: -53.848
tors. eta vs tors. theta energy: -35.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -592.848763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.848763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.848763 (E_RNA)
where:
Base-Base interactions energy: -290.035
where: short stacking energy: -162.563
Base-Backbone interact. energy: 0.291
local terms energy: -303.104394
where:
bonds (distance) C4'-P energy: -89.611
bonds (distance) P-C4' energy: -96.396
flat angles C4'-P-C4' energy: -78.880
flat angles P-C4'-P energy: -50.889
tors. eta vs tors. theta energy: 12.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -2207.746539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.746539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.746539 (E_RNA)
where:
Base-Base interactions energy: -1521.690
where: short stacking energy: -656.694
Base-Backbone interact. energy: -2.927
local terms energy: -683.129448
where:
bonds (distance) C4'-P energy: -125.673
bonds (distance) P-C4' energy: -122.824
flat angles C4'-P-C4' energy: -141.634
flat angles P-C4'-P energy: -95.176
tors. eta vs tors. theta energy: -197.822
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: 7
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -2072.385312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.385312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.385312 (E_RNA)
where:
Base-Base interactions energy: -1447.488
where: short stacking energy: -613.219
Base-Backbone interact. energy: -3.439
local terms energy: -621.458193
where:
bonds (distance) C4'-P energy: -107.780
bonds (distance) P-C4' energy: -119.250
flat angles C4'-P-C4' energy: -127.858
flat angles P-C4'-P energy: -84.934
tors. eta vs tors. theta energy: -181.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1953.465608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.465608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.465608 (E_RNA)
where:
Base-Base interactions energy: -1355.507
where: short stacking energy: -548.945
Base-Backbone interact. energy: 5.033
local terms energy: -602.991681
where:
bonds (distance) C4'-P energy: -111.084
bonds (distance) P-C4' energy: -112.495
flat angles C4'-P-C4' energy: -133.976
flat angles P-C4'-P energy: -76.885
tors. eta vs tors. theta energy: -168.551
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: 10
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -1860.997730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.997730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.997730 (E_RNA)
where:
Base-Base interactions energy: -1266.294
where: short stacking energy: -545.084
Base-Backbone interact. energy: -1.017
local terms energy: -593.686022
where:
bonds (distance) C4'-P energy: -110.916
bonds (distance) P-C4' energy: -108.175
flat angles C4'-P-C4' energy: -119.731
flat angles P-C4'-P energy: -84.236
tors. eta vs tors. theta energy: -170.628
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: 9
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -1626.851430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.851430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.851430 (E_RNA)
where:
Base-Base interactions energy: -1105.048
where: short stacking energy: -432.569
Base-Backbone interact. energy: 3.630
local terms energy: -525.433420
where:
bonds (distance) C4'-P energy: -111.748
bonds (distance) P-C4' energy: -109.067
flat angles C4'-P-C4' energy: -117.023
flat angles P-C4'-P energy: -68.662
tors. eta vs tors. theta energy: -118.934
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: 3
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -1412.867674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.867674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.867674 (E_RNA)
where:
Base-Base interactions energy: -924.123
where: short stacking energy: -405.898
Base-Backbone interact. energy: -1.252
local terms energy: -487.493502
where:
bonds (distance) C4'-P energy: -110.531
bonds (distance) P-C4' energy: -105.846
flat angles C4'-P-C4' energy: -101.272
flat angles P-C4'-P energy: -71.905
tors. eta vs tors. theta energy: -97.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1060.213569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.213569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.213569 (E_RNA)
where:
Base-Base interactions energy: -648.685
where: short stacking energy: -299.916
Base-Backbone interact. energy: -3.835
local terms energy: -407.694202
where:
bonds (distance) C4'-P energy: -93.944
bonds (distance) P-C4' energy: -89.247
flat angles C4'-P-C4' energy: -107.343
flat angles P-C4'-P energy: -72.120
tors. eta vs tors. theta energy: -45.041
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: 8, replica: 5
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -898.862609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.862609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.862609 (E_RNA)
where:
Base-Base interactions energy: -502.549
where: short stacking energy: -237.293
Base-Backbone interact. energy: -0.825
local terms energy: -395.489431
where:
bonds (distance) C4'-P energy: -94.731
bonds (distance) P-C4' energy: -112.514
flat angles C4'-P-C4' energy: -93.744
flat angles P-C4'-P energy: -60.033
tors. eta vs tors. theta energy: -34.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -794.411008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.411008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.411008 (E_RNA)
where:
Base-Base interactions energy: -467.595
where: short stacking energy: -237.558
Base-Backbone interact. energy: -0.401
local terms energy: -326.415278
where:
bonds (distance) C4'-P energy: -76.093
bonds (distance) P-C4' energy: -103.943
flat angles C4'-P-C4' energy: -85.656
flat angles P-C4'-P energy: -32.073
tors. eta vs tors. theta energy: -28.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -633.096136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.096136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.096136 (E_RNA)
where:
Base-Base interactions energy: -299.794
where: short stacking energy: -145.521
Base-Backbone interact. energy: -1.304
local terms energy: -331.998606
where:
bonds (distance) C4'-P energy: -98.022
bonds (distance) P-C4' energy: -98.697
flat angles C4'-P-C4' energy: -80.867
flat angles P-C4'-P energy: -61.460
tors. eta vs tors. theta energy: 7.048
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: 8
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -2214.737176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.737176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.737176 (E_RNA)
where:
Base-Base interactions energy: -1544.157
where: short stacking energy: -674.638
Base-Backbone interact. energy: -5.881
local terms energy: -664.698595
where:
bonds (distance) C4'-P energy: -116.788
bonds (distance) P-C4' energy: -120.630
flat angles C4'-P-C4' energy: -132.630
flat angles P-C4'-P energy: -91.778
tors. eta vs tors. theta energy: -202.872
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: 7
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -2071.686751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.686751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.686751 (E_RNA)
where:
Base-Base interactions energy: -1407.200
where: short stacking energy: -575.650
Base-Backbone interact. energy: -4.019
local terms energy: -660.467549
where:
bonds (distance) C4'-P energy: -124.904
bonds (distance) P-C4' energy: -118.626
flat angles C4'-P-C4' energy: -139.212
flat angles P-C4'-P energy: -94.079
tors. eta vs tors. theta energy: -183.647
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: 372
Temperature: 1.000000
Total energy: -1936.462908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.462908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.462908 (E_RNA)
where:
Base-Base interactions energy: -1355.066
where: short stacking energy: -532.500
Base-Backbone interact. energy: 5.607
local terms energy: -587.004266
where:
bonds (distance) C4'-P energy: -110.863
bonds (distance) P-C4' energy: -99.066
flat angles C4'-P-C4' energy: -129.371
flat angles P-C4'-P energy: -96.102
tors. eta vs tors. theta energy: -151.601
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: 10
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -1850.316145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.316145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.316145 (E_RNA)
where:
Base-Base interactions energy: -1257.139
where: short stacking energy: -528.205
Base-Backbone interact. energy: -1.162
local terms energy: -592.014839
where:
bonds (distance) C4'-P energy: -117.186
bonds (distance) P-C4' energy: -111.154
flat angles C4'-P-C4' energy: -132.924
flat angles P-C4'-P energy: -74.967
tors. eta vs tors. theta energy: -155.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -1711.329854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.329854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.329854 (E_RNA)
where:
Base-Base interactions energy: -1179.687
where: short stacking energy: -463.828
Base-Backbone interact. energy: -2.832
local terms energy: -528.810169
where:
bonds (distance) C4'-P energy: -108.089
bonds (distance) P-C4' energy: -109.672
flat angles C4'-P-C4' energy: -117.735
flat angles P-C4'-P energy: -58.530
tors. eta vs tors. theta energy: -134.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1383.304617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.304617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.304617 (E_RNA)
where:
Base-Base interactions energy: -902.728
where: short stacking energy: -384.925
Base-Backbone interact. energy: -1.401
local terms energy: -479.175137
where:
bonds (distance) C4'-P energy: -99.089
bonds (distance) P-C4' energy: -112.952
flat angles C4'-P-C4' energy: -108.937
flat angles P-C4'-P energy: -76.643
tors. eta vs tors. theta energy: -81.554
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: 1
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -1125.064146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.064146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.064146 (E_RNA)
where:
Base-Base interactions energy: -708.953
where: short stacking energy: -334.002
Base-Backbone interact. energy: -0.416
local terms energy: -415.694689
where:
bonds (distance) C4'-P energy: -94.113
bonds (distance) P-C4' energy: -98.449
flat angles C4'-P-C4' energy: -102.995
flat angles P-C4'-P energy: -55.354
tors. eta vs tors. theta energy: -64.784
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: 372
Temperature: 1.250000
Total energy: -922.200911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.200911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.200911 (E_RNA)
where:
Base-Base interactions energy: -506.959
where: short stacking energy: -245.537
Base-Backbone interact. energy: 4.417
local terms energy: -419.659372
where:
bonds (distance) C4'-P energy: -103.199
bonds (distance) P-C4' energy: -108.611
flat angles C4'-P-C4' energy: -101.334
flat angles P-C4'-P energy: -64.656
tors. eta vs tors. theta energy: -41.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -834.866664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.866664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.866664 (E_RNA)
where:
Base-Base interactions energy: -465.379
where: short stacking energy: -243.040
Base-Backbone interact. energy: -0.279
local terms energy: -369.209211
where:
bonds (distance) C4'-P energy: -97.751
bonds (distance) P-C4' energy: -90.126
flat angles C4'-P-C4' energy: -90.383
flat angles P-C4'-P energy: -61.826
tors. eta vs tors. theta energy: -29.122
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: 6
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -610.461484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.461484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.461484 (E_RNA)
where:
Base-Base interactions energy: -288.806
where: short stacking energy: -165.799
Base-Backbone interact. energy: 4.330
local terms energy: -325.985071
where:
bonds (distance) C4'-P energy: -62.735
bonds (distance) P-C4' energy: -100.371
flat angles C4'-P-C4' energy: -94.968
flat angles P-C4'-P energy: -60.009
tors. eta vs tors. theta energy: -7.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -2184.656865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.656865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.656865 (E_RNA)
where:
Base-Base interactions energy: -1512.858
where: short stacking energy: -640.116
Base-Backbone interact. energy: -2.587
local terms energy: -669.211761
where:
bonds (distance) C4'-P energy: -118.509
bonds (distance) P-C4' energy: -126.614
flat angles C4'-P-C4' energy: -148.936
flat angles P-C4'-P energy: -78.149
tors. eta vs tors. theta energy: -197.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -2088.619647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.619647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.619647 (E_RNA)
where:
Base-Base interactions energy: -1463.338
where: short stacking energy: -621.380
Base-Backbone interact. energy: -4.344
local terms energy: -620.937583
where:
bonds (distance) C4'-P energy: -110.718
bonds (distance) P-C4' energy: -104.886
flat angles C4'-P-C4' energy: -123.821
flat angles P-C4'-P energy: -93.744
tors. eta vs tors. theta energy: -187.769
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: 3, replica: 4
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1925.776056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.776056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.776056 (E_RNA)
where:
Base-Base interactions energy: -1329.165
where: short stacking energy: -538.638
Base-Backbone interact. energy: 3.024
local terms energy: -599.634870
where:
bonds (distance) C4'-P energy: -123.788
bonds (distance) P-C4' energy: -111.180
flat angles C4'-P-C4' energy: -124.454
flat angles P-C4'-P energy: -88.050
tors. eta vs tors. theta energy: -152.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -1821.114113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.114113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.114113 (E_RNA)
where:
Base-Base interactions energy: -1246.340
where: short stacking energy: -539.452
Base-Backbone interact. energy: -1.193
local terms energy: -573.581571
where:
bonds (distance) C4'-P energy: -104.513
bonds (distance) P-C4' energy: -108.924
flat angles C4'-P-C4' energy: -127.710
flat angles P-C4'-P energy: -70.821
tors. eta vs tors. theta energy: -161.614
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: 9
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -1707.773607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.773607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.773607 (E_RNA)
where:
Base-Base interactions energy: -1166.037
where: short stacking energy: -480.280
Base-Backbone interact. energy: 2.607
local terms energy: -544.343677
where:
bonds (distance) C4'-P energy: -94.025
bonds (distance) P-C4' energy: -102.174
flat angles C4'-P-C4' energy: -108.303
flat angles P-C4'-P energy: -94.425
tors. eta vs tors. theta energy: -145.418
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: 3
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -1428.000191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.000191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.000191 (E_RNA)
where:
Base-Base interactions energy: -947.162
where: short stacking energy: -419.332
Base-Backbone interact. energy: -1.041
local terms energy: -479.797060
where:
bonds (distance) C4'-P energy: -86.371
bonds (distance) P-C4' energy: -113.214
flat angles C4'-P-C4' energy: -106.772
flat angles P-C4'-P energy: -74.581
tors. eta vs tors. theta energy: -98.859
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: 373
Temperature: 1.200000
Total energy: -1122.086567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.086567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.086567 (E_RNA)
where:
Base-Base interactions energy: -677.182
where: short stacking energy: -323.401
Base-Backbone interact. energy: -1.909
local terms energy: -442.996269
where:
bonds (distance) C4'-P energy: -83.985
bonds (distance) P-C4' energy: -101.807
flat angles C4'-P-C4' energy: -122.571
flat angles P-C4'-P energy: -66.620
tors. eta vs tors. theta energy: -68.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -902.106859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.106859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.106859 (E_RNA)
where:
Base-Base interactions energy: -512.005
where: short stacking energy: -235.168
Base-Backbone interact. energy: -1.137
local terms energy: -388.965253
where:
bonds (distance) C4'-P energy: -106.460
bonds (distance) P-C4' energy: -100.696
flat angles C4'-P-C4' energy: -94.092
flat angles P-C4'-P energy: -60.907
tors. eta vs tors. theta energy: -26.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -795.270478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.270478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.270478 (E_RNA)
where:
Base-Base interactions energy: -454.880
where: short stacking energy: -223.650
Base-Backbone interact. energy: 3.012
local terms energy: -343.402568
where:
bonds (distance) C4'-P energy: -98.038
bonds (distance) P-C4' energy: -106.669
flat angles C4'-P-C4' energy: -79.730
flat angles P-C4'-P energy: -48.688
tors. eta vs tors. theta energy: -10.277
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: 10, replica: 6
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -588.639861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.639861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.639861 (E_RNA)
where:
Base-Base interactions energy: -269.776
where: short stacking energy: -141.894
Base-Backbone interact. energy: 0.902
local terms energy: -319.765393
where:
bonds (distance) C4'-P energy: -103.938
bonds (distance) P-C4' energy: -99.122
flat angles C4'-P-C4' energy: -77.880
flat angles P-C4'-P energy: -37.750
tors. eta vs tors. theta energy: -1.076
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: 8
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -2196.529697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.529697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.529697 (E_RNA)
where:
Base-Base interactions energy: -1519.139
where: short stacking energy: -654.212
Base-Backbone interact. energy: -1.454
local terms energy: -675.936584
where:
bonds (distance) C4'-P energy: -116.663
bonds (distance) P-C4' energy: -125.908
flat angles C4'-P-C4' energy: -141.638
flat angles P-C4'-P energy: -90.269
tors. eta vs tors. theta energy: -201.459
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: 7
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -2064.996201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.996201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.996201 (E_RNA)
where:
Base-Base interactions energy: -1418.814
where: short stacking energy: -609.759
Base-Backbone interact. energy: -1.581
local terms energy: -644.601794
where:
bonds (distance) C4'-P energy: -116.331
bonds (distance) P-C4' energy: -120.558
flat angles C4'-P-C4' energy: -140.915
flat angles P-C4'-P energy: -79.032
tors. eta vs tors. theta energy: -187.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1927.979027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.979027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.979027 (E_RNA)
where:
Base-Base interactions energy: -1351.732
where: short stacking energy: -538.696
Base-Backbone interact. energy: 2.160
local terms energy: -578.406932
where:
bonds (distance) C4'-P energy: -93.722
bonds (distance) P-C4' energy: -110.761
flat angles C4'-P-C4' energy: -133.178
flat angles P-C4'-P energy: -80.661
tors. eta vs tors. theta energy: -160.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -1857.751930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.751930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.751930 (E_RNA)
where:
Base-Base interactions energy: -1253.379
where: short stacking energy: -532.331
Base-Backbone interact. energy: 2.458
local terms energy: -606.831012
where:
bonds (distance) C4'-P energy: -108.675
bonds (distance) P-C4' energy: -111.934
flat angles C4'-P-C4' energy: -122.999
flat angles P-C4'-P energy: -96.877
tors. eta vs tors. theta energy: -166.346
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: 5, replica: 9
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -1679.912219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.912219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.912219 (E_RNA)
where:
Base-Base interactions energy: -1142.326
where: short stacking energy: -479.733
Base-Backbone interact. energy: 0.898
local terms energy: -538.484964
where:
bonds (distance) C4'-P energy: -97.805
bonds (distance) P-C4' energy: -91.693
flat angles C4'-P-C4' energy: -126.488
flat angles P-C4'-P energy: -86.363
tors. eta vs tors. theta energy: -136.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1427.355474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.355474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.355474 (E_RNA)
where:
Base-Base interactions energy: -956.795
where: short stacking energy: -433.183
Base-Backbone interact. energy: 2.465
local terms energy: -473.025170
where:
bonds (distance) C4'-P energy: -91.112
bonds (distance) P-C4' energy: -98.412
flat angles C4'-P-C4' energy: -104.591
flat angles P-C4'-P energy: -64.016
tors. eta vs tors. theta energy: -114.894
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: 7, replica: 1
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -1157.977761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.977761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.977761 (E_RNA)
where:
Base-Base interactions energy: -704.104
where: short stacking energy: -304.111
Base-Backbone interact. energy: -0.100
local terms energy: -453.773740
where:
bonds (distance) C4'-P energy: -110.452
bonds (distance) P-C4' energy: -103.853
flat angles C4'-P-C4' energy: -101.864
flat angles P-C4'-P energy: -64.347
tors. eta vs tors. theta energy: -73.258
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: 5
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -901.638446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.638446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.638446 (E_RNA)
where:
Base-Base interactions energy: -489.963
where: short stacking energy: -253.249
Base-Backbone interact. energy: 3.833
local terms energy: -415.508652
where:
bonds (distance) C4'-P energy: -100.180
bonds (distance) P-C4' energy: -99.247
flat angles C4'-P-C4' energy: -94.537
flat angles P-C4'-P energy: -72.342
tors. eta vs tors. theta energy: -49.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -782.457256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.457256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.457256 (E_RNA)
where:
Base-Base interactions energy: -419.980
where: short stacking energy: -185.097
Base-Backbone interact. energy: 2.899
local terms energy: -365.375986
where:
bonds (distance) C4'-P energy: -114.384
bonds (distance) P-C4' energy: -85.332
flat angles C4'-P-C4' energy: -90.362
flat angles P-C4'-P energy: -53.391
tors. eta vs tors. theta energy: -21.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -597.171314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.171314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.171314 (E_RNA)
where:
Base-Base interactions energy: -314.516
where: short stacking energy: -184.450
Base-Backbone interact. energy: 2.964
local terms energy: -285.619195
where:
bonds (distance) C4'-P energy: -66.904
bonds (distance) P-C4' energy: -94.952
flat angles C4'-P-C4' energy: -72.661
flat angles P-C4'-P energy: -50.754
tors. eta vs tors. theta energy: -0.349
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: 8
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -2202.092671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.092671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.092671 (E_RNA)
where:
Base-Base interactions energy: -1524.549
where: short stacking energy: -647.854
Base-Backbone interact. energy: -3.058
local terms energy: -674.484824
where:
bonds (distance) C4'-P energy: -128.148
bonds (distance) P-C4' energy: -108.599
flat angles C4'-P-C4' energy: -144.343
flat angles P-C4'-P energy: -87.109
tors. eta vs tors. theta energy: -206.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -2062.403452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.403452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.403452 (E_RNA)
where:
Base-Base interactions energy: -1420.113
where: short stacking energy: -594.661
Base-Backbone interact. energy: 0.200
local terms energy: -642.491118
where:
bonds (distance) C4'-P energy: -118.056
bonds (distance) P-C4' energy: -117.920
flat angles C4'-P-C4' energy: -133.352
flat angles P-C4'-P energy: -87.603
tors. eta vs tors. theta energy: -185.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1967.333312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.333312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.333312 (E_RNA)
where:
Base-Base interactions energy: -1373.415
where: short stacking energy: -556.715
Base-Backbone interact. energy: 3.749
local terms energy: -597.666628
where:
bonds (distance) C4'-P energy: -111.703
bonds (distance) P-C4' energy: -98.181
flat angles C4'-P-C4' energy: -127.919
flat angles P-C4'-P energy: -94.888
tors. eta vs tors. theta energy: -164.975
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: 10
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -1835.197710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.197710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.197710 (E_RNA)
where:
Base-Base interactions energy: -1260.808
where: short stacking energy: -558.764
Base-Backbone interact. energy: -1.685
local terms energy: -572.705110
where:
bonds (distance) C4'-P energy: -112.211
bonds (distance) P-C4' energy: -96.789
flat angles C4'-P-C4' energy: -122.115
flat angles P-C4'-P energy: -87.170
tors. eta vs tors. theta energy: -154.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -1639.549421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.549421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.549421 (E_RNA)
where:
Base-Base interactions energy: -1120.493
where: short stacking energy: -472.372
Base-Backbone interact. energy: 3.383
local terms energy: -522.439581
where:
bonds (distance) C4'-P energy: -110.997
bonds (distance) P-C4' energy: -89.385
flat angles C4'-P-C4' energy: -118.169
flat angles P-C4'-P energy: -72.541
tors. eta vs tors. theta energy: -131.347
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: 3
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -1482.767597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.767597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.767597 (E_RNA)
where:
Base-Base interactions energy: -986.589
where: short stacking energy: -435.951
Base-Backbone interact. energy: -2.579
local terms energy: -493.598968
where:
bonds (distance) C4'-P energy: -113.841
bonds (distance) P-C4' energy: -98.385
flat angles C4'-P-C4' energy: -108.238
flat angles P-C4'-P energy: -63.649
tors. eta vs tors. theta energy: -109.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -1248.772219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.772219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.772219 (E_RNA)
where:
Base-Base interactions energy: -784.041
where: short stacking energy: -372.204
Base-Backbone interact. energy: -0.253
local terms energy: -464.478739
where:
bonds (distance) C4'-P energy: -97.052
bonds (distance) P-C4' energy: -100.931
flat angles C4'-P-C4' energy: -107.847
flat angles P-C4'-P energy: -62.685
tors. eta vs tors. theta energy: -95.963
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: 5
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -881.161315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.161315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.161315 (E_RNA)
where:
Base-Base interactions energy: -479.830
where: short stacking energy: -235.033
Base-Backbone interact. energy: 0.086
local terms energy: -401.417099
where:
bonds (distance) C4'-P energy: -108.098
bonds (distance) P-C4' energy: -96.499
flat angles C4'-P-C4' energy: -98.031
flat angles P-C4'-P energy: -66.179
tors. eta vs tors. theta energy: -32.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -803.123433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.123433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.123433 (E_RNA)
where:
Base-Base interactions energy: -467.742
where: short stacking energy: -241.249
Base-Backbone interact. energy: -0.421
local terms energy: -334.961296
where:
bonds (distance) C4'-P energy: -72.136
bonds (distance) P-C4' energy: -105.323
flat angles C4'-P-C4' energy: -93.219
flat angles P-C4'-P energy: -40.851
tors. eta vs tors. theta energy: -23.431
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: 6
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -614.776090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.776090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.776090 (E_RNA)
where:
Base-Base interactions energy: -283.984
where: short stacking energy: -152.868
Base-Backbone interact. energy: 6.976
local terms energy: -337.768035
where:
bonds (distance) C4'-P energy: -96.250
bonds (distance) P-C4' energy: -96.613
flat angles C4'-P-C4' energy: -80.526
flat angles P-C4'-P energy: -66.766
tors. eta vs tors. theta energy: 2.388
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: 1, replica: 8
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -2193.908537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.908537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.908537 (E_RNA)
where:
Base-Base interactions energy: -1512.877
where: short stacking energy: -657.753
Base-Backbone interact. energy: -6.577
local terms energy: -674.454226
where:
bonds (distance) C4'-P energy: -120.810
bonds (distance) P-C4' energy: -121.001
flat angles C4'-P-C4' energy: -135.838
flat angles P-C4'-P energy: -96.622
tors. eta vs tors. theta energy: -200.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -2046.843851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.843851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.843851 (E_RNA)
where:
Base-Base interactions energy: -1423.923
where: short stacking energy: -590.986
Base-Backbone interact. energy: -0.374
local terms energy: -622.546697
where:
bonds (distance) C4'-P energy: -111.462
bonds (distance) P-C4' energy: -109.618
flat angles C4'-P-C4' energy: -135.725
flat angles P-C4'-P energy: -88.609
tors. eta vs tors. theta energy: -177.134
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: 4
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -1930.410275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.410275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.410275 (E_RNA)
where:
Base-Base interactions energy: -1377.075
where: short stacking energy: -545.223
Base-Backbone interact. energy: 9.885
local terms energy: -563.219660
where:
bonds (distance) C4'-P energy: -94.880
bonds (distance) P-C4' energy: -121.723
flat angles C4'-P-C4' energy: -118.219
flat angles P-C4'-P energy: -82.042
tors. eta vs tors. theta energy: -146.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -1868.739940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.739940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.739940 (E_RNA)
where:
Base-Base interactions energy: -1253.434
where: short stacking energy: -534.526
Base-Backbone interact. energy: 1.440
local terms energy: -616.746612
where:
bonds (distance) C4'-P energy: -115.188
bonds (distance) P-C4' energy: -112.796
flat angles C4'-P-C4' energy: -136.388
flat angles P-C4'-P energy: -86.596
tors. eta vs tors. theta energy: -165.778
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: 5, replica: 9
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1596.551810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.551810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.551810 (E_RNA)
where:
Base-Base interactions energy: -1068.131
where: short stacking energy: -443.014
Base-Backbone interact. energy: 0.008
local terms energy: -528.428546
where:
bonds (distance) C4'-P energy: -88.895
bonds (distance) P-C4' energy: -115.900
flat angles C4'-P-C4' energy: -123.945
flat angles P-C4'-P energy: -86.168
tors. eta vs tors. theta energy: -113.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -1438.151936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.151936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.151936 (E_RNA)
where:
Base-Base interactions energy: -946.523
where: short stacking energy: -409.784
Base-Backbone interact. energy: -1.087
local terms energy: -490.541890
where:
bonds (distance) C4'-P energy: -103.806
bonds (distance) P-C4' energy: -101.356
flat angles C4'-P-C4' energy: -113.577
flat angles P-C4'-P energy: -77.248
tors. eta vs tors. theta energy: -94.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -1180.165512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.165512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.165512 (E_RNA)
where:
Base-Base interactions energy: -736.778
where: short stacking energy: -315.333
Base-Backbone interact. energy: -2.433
local terms energy: -440.953896
where:
bonds (distance) C4'-P energy: -102.889
bonds (distance) P-C4' energy: -100.083
flat angles C4'-P-C4' energy: -108.960
flat angles P-C4'-P energy: -56.542
tors. eta vs tors. theta energy: -72.480
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: 376
Temperature: 1.250000
Total energy: -860.388876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.388876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.388876 (E_RNA)
where:
Base-Base interactions energy: -465.793
where: short stacking energy: -239.264
Base-Backbone interact. energy: -2.979
local terms energy: -391.615951
where:
bonds (distance) C4'-P energy: -107.792
bonds (distance) P-C4' energy: -94.826
flat angles C4'-P-C4' energy: -91.402
flat angles P-C4'-P energy: -61.240
tors. eta vs tors. theta energy: -36.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -812.645408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.645408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.645408 (E_RNA)
where:
Base-Base interactions energy: -445.607
where: short stacking energy: -230.182
Base-Backbone interact. energy: 1.369
local terms energy: -368.407076
where:
bonds (distance) C4'-P energy: -96.767
bonds (distance) P-C4' energy: -108.551
flat angles C4'-P-C4' energy: -78.458
flat angles P-C4'-P energy: -70.392
tors. eta vs tors. theta energy: -14.239
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: 6
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -606.401229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.401229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.401229 (E_RNA)
where:
Base-Base interactions energy: -290.294
where: short stacking energy: -177.649
Base-Backbone interact. energy: 0.822
local terms energy: -316.929159
where:
bonds (distance) C4'-P energy: -81.392
bonds (distance) P-C4' energy: -95.462
flat angles C4'-P-C4' energy: -89.776
flat angles P-C4'-P energy: -45.913
tors. eta vs tors. theta energy: -4.386
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: 8
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -2182.085210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.085210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.085210 (E_RNA)
where:
Base-Base interactions energy: -1485.826
where: short stacking energy: -646.426
Base-Backbone interact. energy: 0.659
local terms energy: -696.918343
where:
bonds (distance) C4'-P energy: -115.550
bonds (distance) P-C4' energy: -129.989
flat angles C4'-P-C4' energy: -149.422
flat angles P-C4'-P energy: -99.743
tors. eta vs tors. theta energy: -202.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -2055.800313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.800313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.800313 (E_RNA)
where:
Base-Base interactions energy: -1435.932
where: short stacking energy: -584.494
Base-Backbone interact. energy: -2.333
local terms energy: -617.535761
where:
bonds (distance) C4'-P energy: -114.067
bonds (distance) P-C4' energy: -102.248
flat angles C4'-P-C4' energy: -140.098
flat angles P-C4'-P energy: -81.450
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: 3, replica: 4
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -1945.000764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.000764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.000764 (E_RNA)
where:
Base-Base interactions energy: -1367.124
where: short stacking energy: -557.154
Base-Backbone interact. energy: 0.115
local terms energy: -577.991198
where:
bonds (distance) C4'-P energy: -107.018
bonds (distance) P-C4' energy: -97.911
flat angles C4'-P-C4' energy: -121.187
flat angles P-C4'-P energy: -86.053
tors. eta vs tors. theta energy: -165.822
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: 4, replica: 10
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -1874.401524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.401524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.401524 (E_RNA)
where:
Base-Base interactions energy: -1275.239
where: short stacking energy: -552.540
Base-Backbone interact. energy: -3.476
local terms energy: -595.686566
where:
bonds (distance) C4'-P energy: -104.232
bonds (distance) P-C4' energy: -102.761
flat angles C4'-P-C4' energy: -117.434
flat angles P-C4'-P energy: -98.233
tors. eta vs tors. theta energy: -173.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -1610.560473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.560473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.560473 (E_RNA)
where:
Base-Base interactions energy: -1093.016
where: short stacking energy: -449.425
Base-Backbone interact. energy: 3.051
local terms energy: -520.595636
where:
bonds (distance) C4'-P energy: -105.022
bonds (distance) P-C4' energy: -111.423
flat angles C4'-P-C4' energy: -114.189
flat angles P-C4'-P energy: -74.065
tors. eta vs tors. theta energy: -115.897
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: 3
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -1464.309345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.309345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.309345 (E_RNA)
where:
Base-Base interactions energy: -950.897
where: short stacking energy: -440.361
Base-Backbone interact. energy: -1.292
local terms energy: -512.119536
where:
bonds (distance) C4'-P energy: -98.738
bonds (distance) P-C4' energy: -109.923
flat angles C4'-P-C4' energy: -113.781
flat angles P-C4'-P energy: -72.904
tors. eta vs tors. theta energy: -116.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1222.666031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.666031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.666031 (E_RNA)
where:
Base-Base interactions energy: -782.811
where: short stacking energy: -353.153
Base-Backbone interact. energy: -1.692
local terms energy: -438.163325
where:
bonds (distance) C4'-P energy: -107.707
bonds (distance) P-C4' energy: -92.175
flat angles C4'-P-C4' energy: -103.650
flat angles P-C4'-P energy: -61.073
tors. eta vs tors. theta energy: -73.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -872.049082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.049082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.049082 (E_RNA)
where:
Base-Base interactions energy: -489.266
where: short stacking energy: -267.515
Base-Backbone interact. energy: -0.988
local terms energy: -381.794643
where:
bonds (distance) C4'-P energy: -85.620
bonds (distance) P-C4' energy: -83.798
flat angles C4'-P-C4' energy: -104.110
flat angles P-C4'-P energy: -64.282
tors. eta vs tors. theta energy: -43.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -847.622422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.622422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.622422 (E_RNA)
where:
Base-Base interactions energy: -454.590
where: short stacking energy: -236.048
Base-Backbone interact. energy: 0.726
local terms energy: -393.758591
where:
bonds (distance) C4'-P energy: -95.879
bonds (distance) P-C4' energy: -103.639
flat angles C4'-P-C4' energy: -92.609
flat angles P-C4'-P energy: -65.288
tors. eta vs tors. theta energy: -36.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -612.883461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.883461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.883461 (E_RNA)
where:
Base-Base interactions energy: -314.093
where: short stacking energy: -174.223
Base-Backbone interact. energy: 2.508
local terms energy: -301.298447
where:
bonds (distance) C4'-P energy: -104.874
bonds (distance) P-C4' energy: -83.540
flat angles C4'-P-C4' energy: -76.726
flat angles P-C4'-P energy: -38.556
tors. eta vs tors. theta energy: 2.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -2182.378014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.378014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.378014 (E_RNA)
where:
Base-Base interactions energy: -1532.529
where: short stacking energy: -654.762
Base-Backbone interact. energy: -4.282
local terms energy: -645.566916
where:
bonds (distance) C4'-P energy: -110.937
bonds (distance) P-C4' energy: -121.405
flat angles C4'-P-C4' energy: -137.629
flat angles P-C4'-P energy: -81.000
tors. eta vs tors. theta energy: -194.596
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: 378
Temperature: 0.950000
Total energy: -2027.992229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.992229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.992229 (E_RNA)
where:
Base-Base interactions energy: -1434.781
where: short stacking energy: -589.256
Base-Backbone interact. energy: -0.325
local terms energy: -592.886900
where:
bonds (distance) C4'-P energy: -131.432
bonds (distance) P-C4' energy: -99.660
flat angles C4'-P-C4' energy: -118.860
flat angles P-C4'-P energy: -78.517
tors. eta vs tors. theta energy: -164.417
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: 378
Temperature: 1.000000
Total energy: -1948.033182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.033182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.033182 (E_RNA)
where:
Base-Base interactions energy: -1368.054
where: short stacking energy: -534.557
Base-Backbone interact. energy: 4.545
local terms energy: -584.524998
where:
bonds (distance) C4'-P energy: -103.851
bonds (distance) P-C4' energy: -105.349
flat angles C4'-P-C4' energy: -125.990
flat angles P-C4'-P energy: -93.129
tors. eta vs tors. theta energy: -156.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -1840.963205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.963205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.963205 (E_RNA)
where:
Base-Base interactions energy: -1231.763
where: short stacking energy: -541.824
Base-Backbone interact. energy: -0.498
local terms energy: -608.702248
where:
bonds (distance) C4'-P energy: -116.999
bonds (distance) P-C4' energy: -112.747
flat angles C4'-P-C4' energy: -132.312
flat angles P-C4'-P energy: -85.522
tors. eta vs tors. theta energy: -161.122
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: 378
Temperature: 1.100000
Total energy: -1604.254270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.254270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.254270 (E_RNA)
where:
Base-Base interactions energy: -1084.040
where: short stacking energy: -450.401
Base-Backbone interact. energy: -3.706
local terms energy: -516.508354
where:
bonds (distance) C4'-P energy: -110.241
bonds (distance) P-C4' energy: -101.190
flat angles C4'-P-C4' energy: -114.704
flat angles P-C4'-P energy: -68.719
tors. eta vs tors. theta energy: -121.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -1460.548241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.548241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.548241 (E_RNA)
where:
Base-Base interactions energy: -956.943
where: short stacking energy: -441.423
Base-Backbone interact. energy: -1.457
local terms energy: -502.149095
where:
bonds (distance) C4'-P energy: -92.969
bonds (distance) P-C4' energy: -103.365
flat angles C4'-P-C4' energy: -111.625
flat angles P-C4'-P energy: -74.292
tors. eta vs tors. theta energy: -119.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -1175.820450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.820450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.820450 (E_RNA)
where:
Base-Base interactions energy: -731.516
where: short stacking energy: -342.748
Base-Backbone interact. energy: 1.303
local terms energy: -445.607010
where:
bonds (distance) C4'-P energy: -95.595
bonds (distance) P-C4' energy: -109.331
flat angles C4'-P-C4' energy: -102.415
flat angles P-C4'-P energy: -73.723
tors. eta vs tors. theta energy: -64.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -849.865998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.865998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.865998 (E_RNA)
where:
Base-Base interactions energy: -458.801
where: short stacking energy: -243.926
Base-Backbone interact. energy: -3.096
local terms energy: -387.968631
where:
bonds (distance) C4'-P energy: -99.545
bonds (distance) P-C4' energy: -112.997
flat angles C4'-P-C4' energy: -106.161
flat angles P-C4'-P energy: -39.649
tors. eta vs tors. theta energy: -29.616
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: 5
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -846.124435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.124435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.124435 (E_RNA)
where:
Base-Base interactions energy: -471.764
where: short stacking energy: -256.900
Base-Backbone interact. energy: -1.510
local terms energy: -372.850038
where:
bonds (distance) C4'-P energy: -87.845
bonds (distance) P-C4' energy: -95.423
flat angles C4'-P-C4' energy: -91.475
flat angles P-C4'-P energy: -48.614
tors. eta vs tors. theta energy: -49.493
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: 6
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -635.558743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.558743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.558743 (E_RNA)
where:
Base-Base interactions energy: -315.522
where: short stacking energy: -189.251
Base-Backbone interact. energy: 0.971
local terms energy: -321.008343
where:
bonds (distance) C4'-P energy: -79.020
bonds (distance) P-C4' energy: -101.405
flat angles C4'-P-C4' energy: -89.316
flat angles P-C4'-P energy: -52.173
tors. eta vs tors. theta energy: 0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -2176.472851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.472851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.472851 (E_RNA)
where:
Base-Base interactions energy: -1514.567
where: short stacking energy: -616.789
Base-Backbone interact. energy: 1.262
local terms energy: -663.168060
where:
bonds (distance) C4'-P energy: -110.800
bonds (distance) P-C4' energy: -130.335
flat angles C4'-P-C4' energy: -142.345
flat angles P-C4'-P energy: -95.363
tors. eta vs tors. theta energy: -184.326
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: 379
Temperature: 0.950000
Total energy: -2025.073668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.073668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.073668 (E_RNA)
where:
Base-Base interactions energy: -1410.987
where: short stacking energy: -565.188
Base-Backbone interact. energy: -2.567
local terms energy: -611.519247
where:
bonds (distance) C4'-P energy: -124.101
bonds (distance) P-C4' energy: -114.966
flat angles C4'-P-C4' energy: -120.761
flat angles P-C4'-P energy: -88.414
tors. eta vs tors. theta energy: -163.278
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: 4
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -1971.708584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.708584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.708584 (E_RNA)
where:
Base-Base interactions energy: -1381.917
where: short stacking energy: -555.703
Base-Backbone interact. energy: 5.802
local terms energy: -595.593998
where:
bonds (distance) C4'-P energy: -108.243
bonds (distance) P-C4' energy: -101.867
flat angles C4'-P-C4' energy: -139.009
flat angles P-C4'-P energy: -85.977
tors. eta vs tors. theta energy: -160.497
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: 4, replica: 10
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1846.449123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.449123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.449123 (E_RNA)
where:
Base-Base interactions energy: -1255.542
where: short stacking energy: -532.665
Base-Backbone interact. energy: -0.936
local terms energy: -589.971294
where:
bonds (distance) C4'-P energy: -112.499
bonds (distance) P-C4' energy: -112.989
flat angles C4'-P-C4' energy: -123.120
flat angles P-C4'-P energy: -81.311
tors. eta vs tors. theta energy: -160.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -1610.036540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.036540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.036540 (E_RNA)
where:
Base-Base interactions energy: -1084.480
where: short stacking energy: -458.619
Base-Backbone interact. energy: -4.538
local terms energy: -521.018591
where:
bonds (distance) C4'-P energy: -102.630
bonds (distance) P-C4' energy: -109.007
flat angles C4'-P-C4' energy: -113.013
flat angles P-C4'-P energy: -66.425
tors. eta vs tors. theta energy: -129.944
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: 3
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -1438.700747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.700747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.700747 (E_RNA)
where:
Base-Base interactions energy: -933.115
where: short stacking energy: -416.108
Base-Backbone interact. energy: -1.229
local terms energy: -504.356627
where:
bonds (distance) C4'-P energy: -102.792
bonds (distance) P-C4' energy: -108.802
flat angles C4'-P-C4' energy: -111.792
flat angles P-C4'-P energy: -67.520
tors. eta vs tors. theta energy: -113.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1124.645009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.645009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.645009 (E_RNA)
where:
Base-Base interactions energy: -690.848
where: short stacking energy: -327.730
Base-Backbone interact. energy: 0.558
local terms energy: -434.355551
where:
bonds (distance) C4'-P energy: -87.984
bonds (distance) P-C4' energy: -109.879
flat angles C4'-P-C4' energy: -101.566
flat angles P-C4'-P energy: -72.941
tors. eta vs tors. theta energy: -61.985
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: 8, replica: 2
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -826.025375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.025375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.025375 (E_RNA)
where:
Base-Base interactions energy: -416.934
where: short stacking energy: -217.300
Base-Backbone interact. energy: 0.143
local terms energy: -409.234913
where:
bonds (distance) C4'-P energy: -116.219
bonds (distance) P-C4' energy: -103.344
flat angles C4'-P-C4' energy: -107.140
flat angles P-C4'-P energy: -65.608
tors. eta vs tors. theta energy: -16.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -816.973600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.973600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.973600 (E_RNA)
where:
Base-Base interactions energy: -460.906
where: short stacking energy: -230.339
Base-Backbone interact. energy: -0.836
local terms energy: -355.232044
where:
bonds (distance) C4'-P energy: -83.927
bonds (distance) P-C4' energy: -111.131
flat angles C4'-P-C4' energy: -97.381
flat angles P-C4'-P energy: -45.546
tors. eta vs tors. theta energy: -17.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -617.642444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.642444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.642444 (E_RNA)
where:
Base-Base interactions energy: -299.942
where: short stacking energy: -185.269
Base-Backbone interact. energy: -1.294
local terms energy: -316.406659
where:
bonds (distance) C4'-P energy: -96.879
bonds (distance) P-C4' energy: -89.336
flat angles C4'-P-C4' energy: -101.171
flat angles P-C4'-P energy: -37.507
tors. eta vs tors. theta energy: 8.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -2177.660894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.660894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.660894 (E_RNA)
where:
Base-Base interactions energy: -1522.639
where: short stacking energy: -596.791
Base-Backbone interact. energy: -4.747
local terms energy: -650.275378
where:
bonds (distance) C4'-P energy: -119.252
bonds (distance) P-C4' energy: -114.710
flat angles C4'-P-C4' energy: -137.187
flat angles P-C4'-P energy: -89.490
tors. eta vs tors. theta energy: -189.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -2024.600468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.600468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.600468 (E_RNA)
where:
Base-Base interactions energy: -1400.445
where: short stacking energy: -588.084
Base-Backbone interact. energy: -2.667
local terms energy: -621.488180
where:
bonds (distance) C4'-P energy: -115.682
bonds (distance) P-C4' energy: -111.820
flat angles C4'-P-C4' energy: -132.995
flat angles P-C4'-P energy: -88.466
tors. eta vs tors. theta energy: -172.524
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: 3, replica: 4
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -1914.369145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.369145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.369145 (E_RNA)
where:
Base-Base interactions energy: -1329.081
where: short stacking energy: -557.938
Base-Backbone interact. energy: 2.291
local terms energy: -587.579793
where:
bonds (distance) C4'-P energy: -116.031
bonds (distance) P-C4' energy: -107.728
flat angles C4'-P-C4' energy: -124.018
flat angles P-C4'-P energy: -87.311
tors. eta vs tors. theta energy: -152.492
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: 10
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -1863.386304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.386304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.386304 (E_RNA)
where:
Base-Base interactions energy: -1267.654
where: short stacking energy: -562.993
Base-Backbone interact. energy: -1.649
local terms energy: -594.083139
where:
bonds (distance) C4'-P energy: -113.246
bonds (distance) P-C4' energy: -110.509
flat angles C4'-P-C4' energy: -120.927
flat angles P-C4'-P energy: -76.704
tors. eta vs tors. theta energy: -172.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -1564.767928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.767928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.767928 (E_RNA)
where:
Base-Base interactions energy: -1067.972
where: short stacking energy: -425.859
Base-Backbone interact. energy: -1.997
local terms energy: -494.798417
where:
bonds (distance) C4'-P energy: -101.878
bonds (distance) P-C4' energy: -108.936
flat angles C4'-P-C4' energy: -104.756
flat angles P-C4'-P energy: -71.510
tors. eta vs tors. theta energy: -107.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -1477.733244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.733244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.733244 (E_RNA)
where:
Base-Base interactions energy: -1006.592
where: short stacking energy: -458.054
Base-Backbone interact. energy: -2.265
local terms energy: -468.876529
where:
bonds (distance) C4'-P energy: -83.740
bonds (distance) P-C4' energy: -99.025
flat angles C4'-P-C4' energy: -124.943
flat angles P-C4'-P energy: -41.661
tors. eta vs tors. theta energy: -119.506
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: 7, replica: 1
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -1157.810769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.810769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.810769 (E_RNA)
where:
Base-Base interactions energy: -723.891
where: short stacking energy: -328.019
Base-Backbone interact. energy: 5.564
local terms energy: -439.484389
where:
bonds (distance) C4'-P energy: -95.336
bonds (distance) P-C4' energy: -96.656
flat angles C4'-P-C4' energy: -118.045
flat angles P-C4'-P energy: -60.545
tors. eta vs tors. theta energy: -68.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -842.414124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.414124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.414124 (E_RNA)
where:
Base-Base interactions energy: -468.806
where: short stacking energy: -254.318
Base-Backbone interact. energy: -1.973
local terms energy: -371.635156
where:
bonds (distance) C4'-P energy: -88.334
bonds (distance) P-C4' energy: -104.960
flat angles C4'-P-C4' energy: -95.237
flat angles P-C4'-P energy: -49.621
tors. eta vs tors. theta energy: -33.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -781.057216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.057216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.057216 (E_RNA)
where:
Base-Base interactions energy: -415.005
where: short stacking energy: -212.823
Base-Backbone interact. energy: -2.480
local terms energy: -363.571929
where:
bonds (distance) C4'-P energy: -89.629
bonds (distance) P-C4' energy: -99.146
flat angles C4'-P-C4' energy: -97.486
flat angles P-C4'-P energy: -66.455
tors. eta vs tors. theta energy: -10.857
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: 6
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -549.789370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.789370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.789370 (E_RNA)
where:
Base-Base interactions energy: -259.038
where: short stacking energy: -151.099
Base-Backbone interact. energy: 0.225
local terms energy: -290.976819
where:
bonds (distance) C4'-P energy: -82.989
bonds (distance) P-C4' energy: -96.469
flat angles C4'-P-C4' energy: -70.813
flat angles P-C4'-P energy: -52.139
tors. eta vs tors. theta energy: 11.433
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: 8
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -2183.706434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.706434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.706434 (E_RNA)
where:
Base-Base interactions energy: -1526.087
where: short stacking energy: -625.623
Base-Backbone interact. energy: -3.197
local terms energy: -654.422090
where:
bonds (distance) C4'-P energy: -121.124
bonds (distance) P-C4' energy: -120.411
flat angles C4'-P-C4' energy: -142.578
flat angles P-C4'-P energy: -78.168
tors. eta vs tors. theta energy: -192.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -2042.775111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.775111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.775111 (E_RNA)
where:
Base-Base interactions energy: -1433.663
where: short stacking energy: -596.479
Base-Backbone interact. energy: 3.691
local terms energy: -612.803700
where:
bonds (distance) C4'-P energy: -103.861
bonds (distance) P-C4' energy: -122.342
flat angles C4'-P-C4' energy: -125.453
flat angles P-C4'-P energy: -80.444
tors. eta vs tors. theta energy: -180.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1920.573301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.573301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.573301 (E_RNA)
where:
Base-Base interactions energy: -1337.709
where: short stacking energy: -536.701
Base-Backbone interact. energy: -1.396
local terms energy: -581.468800
where:
bonds (distance) C4'-P energy: -115.217
bonds (distance) P-C4' energy: -101.597
flat angles C4'-P-C4' energy: -116.584
flat angles P-C4'-P energy: -81.745
tors. eta vs tors. theta energy: -166.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -1809.694261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.694261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.694261 (E_RNA)
where:
Base-Base interactions energy: -1231.340
where: short stacking energy: -540.589
Base-Backbone interact. energy: -0.906
local terms energy: -577.448771
where:
bonds (distance) C4'-P energy: -103.536
bonds (distance) P-C4' energy: -117.896
flat angles C4'-P-C4' energy: -124.440
flat angles P-C4'-P energy: -78.934
tors. eta vs tors. theta energy: -152.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -1603.731371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.731371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.731371 (E_RNA)
where:
Base-Base interactions energy: -1115.770
where: short stacking energy: -464.041
Base-Backbone interact. energy: -2.091
local terms energy: -485.869783
where:
bonds (distance) C4'-P energy: -107.610
bonds (distance) P-C4' energy: -95.539
flat angles C4'-P-C4' energy: -90.653
flat angles P-C4'-P energy: -65.516
tors. eta vs tors. theta energy: -126.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -1459.153722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.153722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.153722 (E_RNA)
where:
Base-Base interactions energy: -967.590
where: short stacking energy: -413.338
Base-Backbone interact. energy: -2.895
local terms energy: -488.668793
where:
bonds (distance) C4'-P energy: -88.481
bonds (distance) P-C4' energy: -96.246
flat angles C4'-P-C4' energy: -113.148
flat angles P-C4'-P energy: -76.665
tors. eta vs tors. theta energy: -114.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1195.177161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.177161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.177161 (E_RNA)
where:
Base-Base interactions energy: -772.671
where: short stacking energy: -353.749
Base-Backbone interact. energy: -1.313
local terms energy: -421.193502
where:
bonds (distance) C4'-P energy: -90.420
bonds (distance) P-C4' energy: -93.419
flat angles C4'-P-C4' energy: -109.932
flat angles P-C4'-P energy: -62.632
tors. eta vs tors. theta energy: -64.791
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: 8, replica: 5
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -801.506959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.506959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.506959 (E_RNA)
where:
Base-Base interactions energy: -441.458
where: short stacking energy: -249.272
Base-Backbone interact. energy: 2.267
local terms energy: -362.316054
where:
bonds (distance) C4'-P energy: -95.842
bonds (distance) P-C4' energy: -93.156
flat angles C4'-P-C4' energy: -89.982
flat angles P-C4'-P energy: -55.652
tors. eta vs tors. theta energy: -27.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -776.450121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.450121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.450121 (E_RNA)
where:
Base-Base interactions energy: -408.598
where: short stacking energy: -223.501
Base-Backbone interact. energy: -1.341
local terms energy: -366.510304
where:
bonds (distance) C4'-P energy: -102.170
bonds (distance) P-C4' energy: -100.552
flat angles C4'-P-C4' energy: -99.476
flat angles P-C4'-P energy: -47.033
tors. eta vs tors. theta energy: -17.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -555.302363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.302363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.302363 (E_RNA)
where:
Base-Base interactions energy: -248.574
where: short stacking energy: -133.008
Base-Backbone interact. energy: -2.062
local terms energy: -304.665926
where:
bonds (distance) C4'-P energy: -98.375
bonds (distance) P-C4' energy: -86.248
flat angles C4'-P-C4' energy: -73.755
flat angles P-C4'-P energy: -68.335
tors. eta vs tors. theta energy: 22.047
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: 8
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -2169.995853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.995853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.995853 (E_RNA)
where:
Base-Base interactions energy: -1518.018
where: short stacking energy: -611.782
Base-Backbone interact. energy: -5.619
local terms energy: -646.359208
where:
bonds (distance) C4'-P energy: -112.491
bonds (distance) P-C4' energy: -112.507
flat angles C4'-P-C4' energy: -147.791
flat angles P-C4'-P energy: -85.396
tors. eta vs tors. theta energy: -188.175
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: 7
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -2102.982069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.982069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.982069 (E_RNA)
where:
Base-Base interactions energy: -1463.822
where: short stacking energy: -591.900
Base-Backbone interact. energy: -2.253
local terms energy: -636.907311
where:
bonds (distance) C4'-P energy: -116.739
bonds (distance) P-C4' energy: -105.826
flat angles C4'-P-C4' energy: -145.530
flat angles P-C4'-P energy: -91.281
tors. eta vs tors. theta energy: -177.530
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: 4
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -1932.371615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.371615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.371615 (E_RNA)
where:
Base-Base interactions energy: -1318.348
where: short stacking energy: -522.588
Base-Backbone interact. energy: -0.683
local terms energy: -613.341071
where:
bonds (distance) C4'-P energy: -120.563
bonds (distance) P-C4' energy: -115.998
flat angles C4'-P-C4' energy: -139.237
flat angles P-C4'-P energy: -81.320
tors. eta vs tors. theta energy: -156.223
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: 10
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -1834.834222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.834222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.834222 (E_RNA)
where:
Base-Base interactions energy: -1256.603
where: short stacking energy: -550.721
Base-Backbone interact. energy: -2.519
local terms energy: -575.712248
where:
bonds (distance) C4'-P energy: -95.942
bonds (distance) P-C4' energy: -119.375
flat angles C4'-P-C4' energy: -115.601
flat angles P-C4'-P energy: -88.778
tors. eta vs tors. theta energy: -156.016
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: 9
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -1560.151237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.151237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.151237 (E_RNA)
where:
Base-Base interactions energy: -1052.869
where: short stacking energy: -441.639
Base-Backbone interact. energy: -0.714
local terms energy: -506.568629
where:
bonds (distance) C4'-P energy: -91.714
bonds (distance) P-C4' energy: -107.855
flat angles C4'-P-C4' energy: -114.787
flat angles P-C4'-P energy: -84.220
tors. eta vs tors. theta energy: -107.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -1462.355159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.355159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.355159 (E_RNA)
where:
Base-Base interactions energy: -978.797
where: short stacking energy: -412.167
Base-Backbone interact. energy: 0.417
local terms energy: -483.975193
where:
bonds (distance) C4'-P energy: -91.484
bonds (distance) P-C4' energy: -90.627
flat angles C4'-P-C4' energy: -120.040
flat angles P-C4'-P energy: -72.208
tors. eta vs tors. theta energy: -109.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1140.522669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.522669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.522669 (E_RNA)
where:
Base-Base interactions energy: -721.435
where: short stacking energy: -328.771
Base-Backbone interact. energy: 1.181
local terms energy: -420.268864
where:
bonds (distance) C4'-P energy: -83.982
bonds (distance) P-C4' energy: -94.846
flat angles C4'-P-C4' energy: -105.927
flat angles P-C4'-P energy: -65.847
tors. eta vs tors. theta energy: -69.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -830.945159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.945159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.945159 (E_RNA)
where:
Base-Base interactions energy: -449.062
where: short stacking energy: -239.535
Base-Backbone interact. energy: 1.187
local terms energy: -383.069814
where:
bonds (distance) C4'-P energy: -104.331
bonds (distance) P-C4' energy: -94.306
flat angles C4'-P-C4' energy: -96.658
flat angles P-C4'-P energy: -54.428
tors. eta vs tors. theta energy: -33.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -744.120522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.120522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.120522 (E_RNA)
where:
Base-Base interactions energy: -397.763
where: short stacking energy: -192.202
Base-Backbone interact. energy: 5.763
local terms energy: -352.119972
where:
bonds (distance) C4'-P energy: -87.326
bonds (distance) P-C4' energy: -103.293
flat angles C4'-P-C4' energy: -102.831
flat angles P-C4'-P energy: -50.291
tors. eta vs tors. theta energy: -8.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -552.699672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.699672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.699672 (E_RNA)
where:
Base-Base interactions energy: -218.560
where: short stacking energy: -134.948
Base-Backbone interact. energy: 6.192
local terms energy: -340.332072
where:
bonds (distance) C4'-P energy: -103.396
bonds (distance) P-C4' energy: -105.901
flat angles C4'-P-C4' energy: -90.175
flat angles P-C4'-P energy: -50.443
tors. eta vs tors. theta energy: 9.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -2182.600202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.600202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.600202 (E_RNA)
where:
Base-Base interactions energy: -1533.707
where: short stacking energy: -662.292
Base-Backbone interact. energy: -2.405
local terms energy: -646.488089
where:
bonds (distance) C4'-P energy: -116.914
bonds (distance) P-C4' energy: -111.795
flat angles C4'-P-C4' energy: -134.013
flat angles P-C4'-P energy: -90.184
tors. eta vs tors. theta energy: -193.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -2091.952698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.952698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.952698 (E_RNA)
where:
Base-Base interactions energy: -1489.932
where: short stacking energy: -609.072
Base-Backbone interact. energy: -2.991
local terms energy: -599.029809
where:
bonds (distance) C4'-P energy: -105.938
bonds (distance) P-C4' energy: -109.730
flat angles C4'-P-C4' energy: -122.694
flat angles P-C4'-P energy: -88.363
tors. eta vs tors. theta energy: -172.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -1919.960573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.960573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.960573 (E_RNA)
where:
Base-Base interactions energy: -1329.465
where: short stacking energy: -535.006
Base-Backbone interact. energy: -0.197
local terms energy: -590.297742
where:
bonds (distance) C4'-P energy: -96.113
bonds (distance) P-C4' energy: -108.941
flat angles C4'-P-C4' energy: -131.031
flat angles P-C4'-P energy: -89.908
tors. eta vs tors. theta energy: -164.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -1872.430014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.430014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.430014 (E_RNA)
where:
Base-Base interactions energy: -1275.147
where: short stacking energy: -546.922
Base-Backbone interact. energy: -2.444
local terms energy: -594.838713
where:
bonds (distance) C4'-P energy: -101.305
bonds (distance) P-C4' energy: -101.159
flat angles C4'-P-C4' energy: -125.014
flat angles P-C4'-P energy: -98.743
tors. eta vs tors. theta energy: -168.619
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: 9
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -1564.670486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.670486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.670486 (E_RNA)
where:
Base-Base interactions energy: -1057.738
where: short stacking energy: -443.223
Base-Backbone interact. energy: -3.597
local terms energy: -503.336127
where:
bonds (distance) C4'-P energy: -97.809
bonds (distance) P-C4' energy: -115.367
flat angles C4'-P-C4' energy: -107.003
flat angles P-C4'-P energy: -77.028
tors. eta vs tors. theta energy: -106.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -1465.124989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.124989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.124989 (E_RNA)
where:
Base-Base interactions energy: -957.329
where: short stacking energy: -407.783
Base-Backbone interact. energy: -1.614
local terms energy: -506.181666
where:
bonds (distance) C4'-P energy: -94.171
bonds (distance) P-C4' energy: -125.345
flat angles C4'-P-C4' energy: -112.331
flat angles P-C4'-P energy: -59.990
tors. eta vs tors. theta energy: -114.345
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: 1
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1151.222270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.222270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.222270 (E_RNA)
where:
Base-Base interactions energy: -694.925
where: short stacking energy: -326.248
Base-Backbone interact. energy: 0.495
local terms energy: -456.793012
where:
bonds (distance) C4'-P energy: -97.169
bonds (distance) P-C4' energy: -107.045
flat angles C4'-P-C4' energy: -103.563
flat angles P-C4'-P energy: -77.895
tors. eta vs tors. theta energy: -71.120
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: 8, replica: 5
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -841.681525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.681525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.681525 (E_RNA)
where:
Base-Base interactions energy: -460.469
where: short stacking energy: -231.200
Base-Backbone interact. energy: -2.035
local terms energy: -379.176676
where:
bonds (distance) C4'-P energy: -93.038
bonds (distance) P-C4' energy: -123.401
flat angles C4'-P-C4' energy: -86.137
flat angles P-C4'-P energy: -46.464
tors. eta vs tors. theta energy: -30.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -757.369548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.369548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.369548 (E_RNA)
where:
Base-Base interactions energy: -398.687
where: short stacking energy: -192.223
Base-Backbone interact. energy: 1.059
local terms energy: -359.741760
where:
bonds (distance) C4'-P energy: -93.353
bonds (distance) P-C4' energy: -102.398
flat angles C4'-P-C4' energy: -107.763
flat angles P-C4'-P energy: -49.406
tors. eta vs tors. theta energy: -6.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -576.491802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.491802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.491802 (E_RNA)
where:
Base-Base interactions energy: -257.918
where: short stacking energy: -164.573
Base-Backbone interact. energy: -2.395
local terms energy: -316.178970
where:
bonds (distance) C4'-P energy: -95.451
bonds (distance) P-C4' energy: -105.862
flat angles C4'-P-C4' energy: -82.933
flat angles P-C4'-P energy: -38.053
tors. eta vs tors. theta energy: 6.121
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: 1, replica: 8
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -2190.597996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.597996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.597996 (E_RNA)
where:
Base-Base interactions energy: -1507.106
where: short stacking energy: -656.867
Base-Backbone interact. energy: -2.194
local terms energy: -681.298573
where:
bonds (distance) C4'-P energy: -122.671
bonds (distance) P-C4' energy: -118.424
flat angles C4'-P-C4' energy: -144.858
flat angles P-C4'-P energy: -87.715
tors. eta vs tors. theta energy: -207.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -2091.459481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.459481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.459481 (E_RNA)
where:
Base-Base interactions energy: -1449.023
where: short stacking energy: -621.028
Base-Backbone interact. energy: -2.365
local terms energy: -640.071643
where:
bonds (distance) C4'-P energy: -115.785
bonds (distance) P-C4' energy: -116.584
flat angles C4'-P-C4' energy: -135.953
flat angles P-C4'-P energy: -80.318
tors. eta vs tors. theta energy: -191.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1933.602151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.602151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.602151 (E_RNA)
where:
Base-Base interactions energy: -1361.025
where: short stacking energy: -561.479
Base-Backbone interact. energy: -4.530
local terms energy: -568.047359
where:
bonds (distance) C4'-P energy: -100.545
bonds (distance) P-C4' energy: -116.351
flat angles C4'-P-C4' energy: -118.800
flat angles P-C4'-P energy: -76.414
tors. eta vs tors. theta energy: -155.937
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: 10
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -1847.343891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.343891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.343891 (E_RNA)
where:
Base-Base interactions energy: -1261.555
where: short stacking energy: -553.683
Base-Backbone interact. energy: 1.759
local terms energy: -587.547799
where:
bonds (distance) C4'-P energy: -90.544
bonds (distance) P-C4' energy: -125.838
flat angles C4'-P-C4' energy: -118.175
flat angles P-C4'-P energy: -95.130
tors. eta vs tors. theta energy: -157.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -1676.295270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.295270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.295270 (E_RNA)
where:
Base-Base interactions energy: -1149.116
where: short stacking energy: -492.367
Base-Backbone interact. energy: -2.685
local terms energy: -524.493882
where:
bonds (distance) C4'-P energy: -93.893
bonds (distance) P-C4' energy: -112.269
flat angles C4'-P-C4' energy: -109.411
flat angles P-C4'-P energy: -68.800
tors. eta vs tors. theta energy: -140.121
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: 6, replica: 3
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -1414.993671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.993671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.993671 (E_RNA)
where:
Base-Base interactions energy: -927.527
where: short stacking energy: -396.514
Base-Backbone interact. energy: -1.805
local terms energy: -485.662559
where:
bonds (distance) C4'-P energy: -105.150
bonds (distance) P-C4' energy: -100.634
flat angles C4'-P-C4' energy: -109.463
flat angles P-C4'-P energy: -67.150
tors. eta vs tors. theta energy: -103.266
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: 1
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -1132.341043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.341043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.341043 (E_RNA)
where:
Base-Base interactions energy: -705.679
where: short stacking energy: -336.806
Base-Backbone interact. energy: -2.503
local terms energy: -424.159016
where:
bonds (distance) C4'-P energy: -100.552
bonds (distance) P-C4' energy: -95.503
flat angles C4'-P-C4' energy: -90.037
flat angles P-C4'-P energy: -64.400
tors. eta vs tors. theta energy: -73.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -856.919339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.919339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.919339 (E_RNA)
where:
Base-Base interactions energy: -444.843
where: short stacking energy: -207.362
Base-Backbone interact. energy: -2.439
local terms energy: -409.636981
where:
bonds (distance) C4'-P energy: -111.998
bonds (distance) P-C4' energy: -98.747
flat angles C4'-P-C4' energy: -105.090
flat angles P-C4'-P energy: -60.436
tors. eta vs tors. theta energy: -33.366
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: 9, replica: 2
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -772.954142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.954142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.954142 (E_RNA)
where:
Base-Base interactions energy: -399.055
where: short stacking energy: -204.441
Base-Backbone interact. energy: -2.570
local terms energy: -371.329084
where:
bonds (distance) C4'-P energy: -100.618
bonds (distance) P-C4' energy: -119.055
flat angles C4'-P-C4' energy: -87.924
flat angles P-C4'-P energy: -54.972
tors. eta vs tors. theta energy: -8.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -561.201671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.201671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.201671 (E_RNA)
where:
Base-Base interactions energy: -281.098
where: short stacking energy: -155.335
Base-Backbone interact. energy: 0.388
local terms energy: -280.491824
where:
bonds (distance) C4'-P energy: -86.591
bonds (distance) P-C4' energy: -91.642
flat angles C4'-P-C4' energy: -76.556
flat angles P-C4'-P energy: -31.864
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: 8
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -2192.797166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.797166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.797166 (E_RNA)
where:
Base-Base interactions energy: -1517.286
where: short stacking energy: -645.567
Base-Backbone interact. energy: -3.818
local terms energy: -671.692791
where:
bonds (distance) C4'-P energy: -116.761
bonds (distance) P-C4' energy: -117.019
flat angles C4'-P-C4' energy: -143.901
flat angles P-C4'-P energy: -90.567
tors. eta vs tors. theta energy: -203.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -2083.482091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.482091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.482091 (E_RNA)
where:
Base-Base interactions energy: -1452.797
where: short stacking energy: -622.238
Base-Backbone interact. energy: -1.238
local terms energy: -629.447025
where:
bonds (distance) C4'-P energy: -106.688
bonds (distance) P-C4' energy: -117.174
flat angles C4'-P-C4' energy: -133.991
flat angles P-C4'-P energy: -87.563
tors. eta vs tors. theta energy: -184.031
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: 3, replica: 4
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1919.329010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.329010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.329010 (E_RNA)
where:
Base-Base interactions energy: -1336.209
where: short stacking energy: -530.145
Base-Backbone interact. energy: -1.266
local terms energy: -581.854336
where:
bonds (distance) C4'-P energy: -103.665
bonds (distance) P-C4' energy: -110.266
flat angles C4'-P-C4' energy: -131.847
flat angles P-C4'-P energy: -86.378
tors. eta vs tors. theta energy: -149.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -1816.739579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.739579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.739579 (E_RNA)
where:
Base-Base interactions energy: -1245.038
where: short stacking energy: -532.928
Base-Backbone interact. energy: -2.304
local terms energy: -569.397735
where:
bonds (distance) C4'-P energy: -102.002
bonds (distance) P-C4' energy: -117.138
flat angles C4'-P-C4' energy: -115.500
flat angles P-C4'-P energy: -75.378
tors. eta vs tors. theta energy: -159.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -1649.627772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.627772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.627772 (E_RNA)
where:
Base-Base interactions energy: -1116.452
where: short stacking energy: -472.167
Base-Backbone interact. energy: 3.499
local terms energy: -536.674862
where:
bonds (distance) C4'-P energy: -110.568
bonds (distance) P-C4' energy: -109.414
flat angles C4'-P-C4' energy: -111.009
flat angles P-C4'-P energy: -70.269
tors. eta vs tors. theta energy: -135.415
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: 3
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -1428.606123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.606123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.606123 (E_RNA)
where:
Base-Base interactions energy: -920.252
where: short stacking energy: -388.277
Base-Backbone interact. energy: -3.086
local terms energy: -505.268057
where:
bonds (distance) C4'-P energy: -105.197
bonds (distance) P-C4' energy: -101.057
flat angles C4'-P-C4' energy: -114.246
flat angles P-C4'-P energy: -73.868
tors. eta vs tors. theta energy: -110.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1114.777757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.777757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.777757 (E_RNA)
where:
Base-Base interactions energy: -696.558
where: short stacking energy: -339.184
Base-Backbone interact. energy: -2.001
local terms energy: -416.218918
where:
bonds (distance) C4'-P energy: -85.591
bonds (distance) P-C4' energy: -108.712
flat angles C4'-P-C4' energy: -91.066
flat angles P-C4'-P energy: -67.968
tors. eta vs tors. theta energy: -62.882
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: 8, replica: 5
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -859.633775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.633775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.633775 (E_RNA)
where:
Base-Base interactions energy: -461.672
where: short stacking energy: -232.527
Base-Backbone interact. energy: -0.638
local terms energy: -397.324005
where:
bonds (distance) C4'-P energy: -105.431
bonds (distance) P-C4' energy: -104.300
flat angles C4'-P-C4' energy: -93.046
flat angles P-C4'-P energy: -57.595
tors. eta vs tors. theta energy: -36.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -790.505008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.505008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.505008 (E_RNA)
where:
Base-Base interactions energy: -419.885
where: short stacking energy: -205.008
Base-Backbone interact. energy: -3.830
local terms energy: -366.789932
where:
bonds (distance) C4'-P energy: -97.911
bonds (distance) P-C4' energy: -90.925
flat angles C4'-P-C4' energy: -102.487
flat angles P-C4'-P energy: -65.893
tors. eta vs tors. theta energy: -9.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -587.650597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.650597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.650597 (E_RNA)
where:
Base-Base interactions energy: -268.759
where: short stacking energy: -153.847
Base-Backbone interact. energy: -2.039
local terms energy: -316.852785
where:
bonds (distance) C4'-P energy: -92.391
bonds (distance) P-C4' energy: -95.240
flat angles C4'-P-C4' energy: -95.830
flat angles P-C4'-P energy: -52.947
tors. eta vs tors. theta energy: 19.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -2184.877805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.877805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.877805 (E_RNA)
where:
Base-Base interactions energy: -1521.853
where: short stacking energy: -650.418
Base-Backbone interact. energy: -1.775
local terms energy: -661.249324
where:
bonds (distance) C4'-P energy: -126.228
bonds (distance) P-C4' energy: -105.472
flat angles C4'-P-C4' energy: -146.468
flat angles P-C4'-P energy: -86.364
tors. eta vs tors. theta energy: -196.717
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: 7
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -2111.148218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.148218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.148218 (E_RNA)
where:
Base-Base interactions energy: -1464.162
where: short stacking energy: -611.093
Base-Backbone interact. energy: -1.957
local terms energy: -645.029509
where:
bonds (distance) C4'-P energy: -106.433
bonds (distance) P-C4' energy: -121.584
flat angles C4'-P-C4' energy: -145.657
flat angles P-C4'-P energy: -86.487
tors. eta vs tors. theta energy: -184.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -1960.481053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.481053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.481053 (E_RNA)
where:
Base-Base interactions energy: -1401.482
where: short stacking energy: -565.313
Base-Backbone interact. energy: -3.307
local terms energy: -555.691990
where:
bonds (distance) C4'-P energy: -106.850
bonds (distance) P-C4' energy: -88.991
flat angles C4'-P-C4' energy: -116.042
flat angles P-C4'-P energy: -80.736
tors. eta vs tors. theta energy: -163.073
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: 4, replica: 10
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -1886.002964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.002964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.002964 (E_RNA)
where:
Base-Base interactions energy: -1276.444
where: short stacking energy: -555.512
Base-Backbone interact. energy: -3.977
local terms energy: -605.582421
where:
bonds (distance) C4'-P energy: -114.154
bonds (distance) P-C4' energy: -112.236
flat angles C4'-P-C4' energy: -130.307
flat angles P-C4'-P energy: -72.817
tors. eta vs tors. theta energy: -176.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -1695.444531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.444531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.444531 (E_RNA)
where:
Base-Base interactions energy: -1153.054
where: short stacking energy: -469.446
Base-Backbone interact. energy: 1.037
local terms energy: -543.427115
where:
bonds (distance) C4'-P energy: -104.723
bonds (distance) P-C4' energy: -110.735
flat angles C4'-P-C4' energy: -116.283
flat angles P-C4'-P energy: -78.893
tors. eta vs tors. theta energy: -132.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -1365.855682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.855682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.855682 (E_RNA)
where:
Base-Base interactions energy: -866.207
where: short stacking energy: -400.263
Base-Backbone interact. energy: -0.277
local terms energy: -499.371503
where:
bonds (distance) C4'-P energy: -101.445
bonds (distance) P-C4' energy: -117.425
flat angles C4'-P-C4' energy: -102.248
flat angles P-C4'-P energy: -76.621
tors. eta vs tors. theta energy: -101.634
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: 1
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -1103.435695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.435695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.435695 (E_RNA)
where:
Base-Base interactions energy: -659.614
where: short stacking energy: -270.315
Base-Backbone interact. energy: -2.324
local terms energy: -441.497155
where:
bonds (distance) C4'-P energy: -96.542
bonds (distance) P-C4' energy: -116.799
flat angles C4'-P-C4' energy: -100.367
flat angles P-C4'-P energy: -70.527
tors. eta vs tors. theta energy: -57.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -882.493821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.493821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.493821 (E_RNA)
where:
Base-Base interactions energy: -487.932
where: short stacking energy: -249.814
Base-Backbone interact. energy: -3.108
local terms energy: -391.453890
where:
bonds (distance) C4'-P energy: -96.534
bonds (distance) P-C4' energy: -109.965
flat angles C4'-P-C4' energy: -98.185
flat angles P-C4'-P energy: -59.746
tors. eta vs tors. theta energy: -27.024
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: 2
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -746.461103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.461103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.461103 (E_RNA)
where:
Base-Base interactions energy: -408.312
where: short stacking energy: -230.198
Base-Backbone interact. energy: 2.390
local terms energy: -340.538536
where:
bonds (distance) C4'-P energy: -94.773
bonds (distance) P-C4' energy: -97.348
flat angles C4'-P-C4' energy: -82.791
flat angles P-C4'-P energy: -49.575
tors. eta vs tors. theta energy: -16.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -588.155728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.155728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.155728 (E_RNA)
where:
Base-Base interactions energy: -260.167
where: short stacking energy: -158.846
Base-Backbone interact. energy: -4.280
local terms energy: -323.708393
where:
bonds (distance) C4'-P energy: -108.428
bonds (distance) P-C4' energy: -102.080
flat angles C4'-P-C4' energy: -68.429
flat angles P-C4'-P energy: -55.186
tors. eta vs tors. theta energy: 10.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -2207.228324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.228324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.228324 (E_RNA)
where:
Base-Base interactions energy: -1528.178
where: short stacking energy: -647.132
Base-Backbone interact. energy: -4.397
local terms energy: -674.653009
where:
bonds (distance) C4'-P energy: -120.651
bonds (distance) P-C4' energy: -123.465
flat angles C4'-P-C4' energy: -135.494
flat angles P-C4'-P energy: -98.542
tors. eta vs tors. theta energy: -196.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -2068.501431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.501431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.501431 (E_RNA)
where:
Base-Base interactions energy: -1438.336
where: short stacking energy: -596.476
Base-Backbone interact. energy: -1.712
local terms energy: -628.453182
where:
bonds (distance) C4'-P energy: -109.071
bonds (distance) P-C4' energy: -116.208
flat angles C4'-P-C4' energy: -129.317
flat angles P-C4'-P energy: -88.420
tors. eta vs tors. theta energy: -185.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1948.094279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.094279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.094279 (E_RNA)
where:
Base-Base interactions energy: -1365.395
where: short stacking energy: -527.772
Base-Backbone interact. energy: -2.557
local terms energy: -580.142982
where:
bonds (distance) C4'-P energy: -102.481
bonds (distance) P-C4' energy: -118.860
flat angles C4'-P-C4' energy: -124.941
flat angles P-C4'-P energy: -75.766
tors. eta vs tors. theta energy: -158.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -1871.144274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.144274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.144274 (E_RNA)
where:
Base-Base interactions energy: -1288.231
where: short stacking energy: -556.176
Base-Backbone interact. energy: -4.368
local terms energy: -578.545160
where:
bonds (distance) C4'-P energy: -105.491
bonds (distance) P-C4' energy: -103.579
flat angles C4'-P-C4' energy: -122.631
flat angles P-C4'-P energy: -76.223
tors. eta vs tors. theta energy: -170.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -1706.027702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.027702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.027702 (E_RNA)
where:
Base-Base interactions energy: -1157.411
where: short stacking energy: -495.023
Base-Backbone interact. energy: 0.194
local terms energy: -548.810295
where:
bonds (distance) C4'-P energy: -106.236
bonds (distance) P-C4' energy: -91.977
flat angles C4'-P-C4' energy: -126.285
flat angles P-C4'-P energy: -75.966
tors. eta vs tors. theta energy: -148.347
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: 3
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -1364.101365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.101365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.101365 (E_RNA)
where:
Base-Base interactions energy: -886.888
where: short stacking energy: -381.432
Base-Backbone interact. energy: -1.373
local terms energy: -475.839580
where:
bonds (distance) C4'-P energy: -103.272
bonds (distance) P-C4' energy: -112.513
flat angles C4'-P-C4' energy: -93.039
flat angles P-C4'-P energy: -74.630
tors. eta vs tors. theta energy: -92.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -1138.861544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.861544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.861544 (E_RNA)
where:
Base-Base interactions energy: -705.790
where: short stacking energy: -318.298
Base-Backbone interact. energy: -0.733
local terms energy: -432.338106
where:
bonds (distance) C4'-P energy: -116.040
bonds (distance) P-C4' energy: -98.207
flat angles C4'-P-C4' energy: -110.251
flat angles P-C4'-P energy: -39.860
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -870.095736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.095736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.095736 (E_RNA)
where:
Base-Base interactions energy: -478.312
where: short stacking energy: -238.221
Base-Backbone interact. energy: 2.545
local terms energy: -394.328726
where:
bonds (distance) C4'-P energy: -114.000
bonds (distance) P-C4' energy: -100.704
flat angles C4'-P-C4' energy: -93.201
flat angles P-C4'-P energy: -61.969
tors. eta vs tors. theta energy: -24.454
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: 9, replica: 2
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -786.161360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.161360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.161360 (E_RNA)
where:
Base-Base interactions energy: -388.858
where: short stacking energy: -193.926
Base-Backbone interact. energy: -1.916
local terms energy: -395.387078
where:
bonds (distance) C4'-P energy: -117.583
bonds (distance) P-C4' energy: -112.015
flat angles C4'-P-C4' energy: -82.559
flat angles P-C4'-P energy: -63.348
tors. eta vs tors. theta energy: -19.882
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: 6
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -617.637360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.637360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.637360 (E_RNA)
where:
Base-Base interactions energy: -267.898
where: short stacking energy: -168.730
Base-Backbone interact. energy: 0.308
local terms energy: -350.047273
where:
bonds (distance) C4'-P energy: -101.729
bonds (distance) P-C4' energy: -103.122
flat angles C4'-P-C4' energy: -91.114
flat angles P-C4'-P energy: -39.556
tors. eta vs tors. theta energy: -14.527
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: 8
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -2178.336838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.336838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.336838 (E_RNA)
where:
Base-Base interactions energy: -1493.866
where: short stacking energy: -624.705
Base-Backbone interact. energy: -4.031
local terms energy: -680.439596
where:
bonds (distance) C4'-P energy: -122.951
bonds (distance) P-C4' energy: -121.654
flat angles C4'-P-C4' energy: -140.731
flat angles P-C4'-P energy: -94.889
tors. eta vs tors. theta energy: -200.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -2049.001484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.001484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.001484 (E_RNA)
where:
Base-Base interactions energy: -1444.751
where: short stacking energy: -591.203
Base-Backbone interact. energy: 0.327
local terms energy: -604.577241
where:
bonds (distance) C4'-P energy: -108.902
bonds (distance) P-C4' energy: -102.389
flat angles C4'-P-C4' energy: -138.828
flat angles P-C4'-P energy: -80.190
tors. eta vs tors. theta energy: -174.267
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: 4
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1928.482714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.482714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.482714 (E_RNA)
where:
Base-Base interactions energy: -1333.874
where: short stacking energy: -528.120
Base-Backbone interact. energy: 0.099
local terms energy: -594.706845
where:
bonds (distance) C4'-P energy: -113.297
bonds (distance) P-C4' energy: -107.980
flat angles C4'-P-C4' energy: -134.866
flat angles P-C4'-P energy: -82.388
tors. eta vs tors. theta energy: -156.177
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: 4, replica: 10
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -1831.796469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.796469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.796469 (E_RNA)
where:
Base-Base interactions energy: -1247.250
where: short stacking energy: -527.918
Base-Backbone interact. energy: -2.155
local terms energy: -582.391803
where:
bonds (distance) C4'-P energy: -99.694
bonds (distance) P-C4' energy: -119.029
flat angles C4'-P-C4' energy: -130.538
flat angles P-C4'-P energy: -69.737
tors. eta vs tors. theta energy: -163.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1658.849923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.849923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.849923 (E_RNA)
where:
Base-Base interactions energy: -1157.943
where: short stacking energy: -477.252
Base-Backbone interact. energy: -1.130
local terms energy: -499.776842
where:
bonds (distance) C4'-P energy: -97.496
bonds (distance) P-C4' energy: -101.325
flat angles C4'-P-C4' energy: -115.253
flat angles P-C4'-P energy: -68.178
tors. eta vs tors. theta energy: -117.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -1435.746474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.746474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.746474 (E_RNA)
where:
Base-Base interactions energy: -930.320
where: short stacking energy: -423.746
Base-Backbone interact. energy: -0.545
local terms energy: -504.881774
where:
bonds (distance) C4'-P energy: -93.844
bonds (distance) P-C4' energy: -110.270
flat angles C4'-P-C4' energy: -110.399
flat angles P-C4'-P energy: -82.085
tors. eta vs tors. theta energy: -108.284
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: 388
Temperature: 1.200000
Total energy: -1153.959173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.959173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.959173 (E_RNA)
where:
Base-Base interactions energy: -711.437
where: short stacking energy: -327.003
Base-Backbone interact. energy: -2.893
local terms energy: -439.628866
where:
bonds (distance) C4'-P energy: -97.087
bonds (distance) P-C4' energy: -103.131
flat angles C4'-P-C4' energy: -113.647
flat angles P-C4'-P energy: -49.442
tors. eta vs tors. theta energy: -76.322
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: 8, replica: 5
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -862.504712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.504712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.504712 (E_RNA)
where:
Base-Base interactions energy: -485.998
where: short stacking energy: -233.983
Base-Backbone interact. energy: 1.613
local terms energy: -378.119478
where:
bonds (distance) C4'-P energy: -94.387
bonds (distance) P-C4' energy: -97.894
flat angles C4'-P-C4' energy: -107.937
flat angles P-C4'-P energy: -56.379
tors. eta vs tors. theta energy: -21.521
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: 9, replica: 2
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -785.916704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.916704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.916704 (E_RNA)
where:
Base-Base interactions energy: -398.340
where: short stacking energy: -233.440
Base-Backbone interact. energy: 1.250
local terms energy: -388.826600
where:
bonds (distance) C4'-P energy: -101.813
bonds (distance) P-C4' energy: -103.948
flat angles C4'-P-C4' energy: -87.682
flat angles P-C4'-P energy: -64.614
tors. eta vs tors. theta energy: -30.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -614.718777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.718777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.718777 (E_RNA)
where:
Base-Base interactions energy: -270.169
where: short stacking energy: -175.337
Base-Backbone interact. energy: 7.379
local terms energy: -351.928649
where:
bonds (distance) C4'-P energy: -92.211
bonds (distance) P-C4' energy: -100.799
flat angles C4'-P-C4' energy: -90.064
flat angles P-C4'-P energy: -78.655
tors. eta vs tors. theta energy: 9.800
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: 8
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -2170.350613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.350613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.350613 (E_RNA)
where:
Base-Base interactions energy: -1493.716
where: short stacking energy: -641.835
Base-Backbone interact. energy: -2.339
local terms energy: -674.295259
where:
bonds (distance) C4'-P energy: -123.029
bonds (distance) P-C4' energy: -120.443
flat angles C4'-P-C4' energy: -127.371
flat angles P-C4'-P energy: -102.372
tors. eta vs tors. theta energy: -201.080
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: 7
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -2054.281460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.281460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.281460 (E_RNA)
where:
Base-Base interactions energy: -1434.013
where: short stacking energy: -576.419
Base-Backbone interact. energy: -0.722
local terms energy: -619.546855
where:
bonds (distance) C4'-P energy: -112.999
bonds (distance) P-C4' energy: -118.844
flat angles C4'-P-C4' energy: -134.994
flat angles P-C4'-P energy: -87.305
tors. eta vs tors. theta energy: -165.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -1972.289648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.289648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.289648 (E_RNA)
where:
Base-Base interactions energy: -1372.410
where: short stacking energy: -556.821
Base-Backbone interact. energy: -2.556
local terms energy: -597.323723
where:
bonds (distance) C4'-P energy: -123.681
bonds (distance) P-C4' energy: -120.897
flat angles C4'-P-C4' energy: -116.302
flat angles P-C4'-P energy: -82.306
tors. eta vs tors. theta energy: -154.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -1828.346122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.346122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.346122 (E_RNA)
where:
Base-Base interactions energy: -1265.621
where: short stacking energy: -552.813
Base-Backbone interact. energy: 4.786
local terms energy: -567.511419
where:
bonds (distance) C4'-P energy: -101.656
bonds (distance) P-C4' energy: -99.939
flat angles C4'-P-C4' energy: -131.229
flat angles P-C4'-P energy: -80.500
tors. eta vs tors. theta energy: -154.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1707.365729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.365729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.365729 (E_RNA)
where:
Base-Base interactions energy: -1174.213
where: short stacking energy: -489.212
Base-Backbone interact. energy: 0.581
local terms energy: -533.734249
where:
bonds (distance) C4'-P energy: -102.017
bonds (distance) P-C4' energy: -114.835
flat angles C4'-P-C4' energy: -113.770
flat angles P-C4'-P energy: -64.055
tors. eta vs tors. theta energy: -139.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -1386.520963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.520963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.520963 (E_RNA)
where:
Base-Base interactions energy: -876.111
where: short stacking energy: -407.323
Base-Backbone interact. energy: 0.610
local terms energy: -511.020131
where:
bonds (distance) C4'-P energy: -99.733
bonds (distance) P-C4' energy: -104.641
flat angles C4'-P-C4' energy: -110.257
flat angles P-C4'-P energy: -87.780
tors. eta vs tors. theta energy: -108.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -1109.882543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.882543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.882543 (E_RNA)
where:
Base-Base interactions energy: -718.408
where: short stacking energy: -347.711
Base-Backbone interact. energy: -0.371
local terms energy: -391.103258
where:
bonds (distance) C4'-P energy: -102.138
bonds (distance) P-C4' energy: -81.577
flat angles C4'-P-C4' energy: -82.990
flat angles P-C4'-P energy: -62.545
tors. eta vs tors. theta energy: -61.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -876.732838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.732838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.732838 (E_RNA)
where:
Base-Base interactions energy: -457.238
where: short stacking energy: -241.169
Base-Backbone interact. energy: -2.129
local terms energy: -417.365390
where:
bonds (distance) C4'-P energy: -101.217
bonds (distance) P-C4' energy: -116.326
flat angles C4'-P-C4' energy: -103.920
flat angles P-C4'-P energy: -41.840
tors. eta vs tors. theta energy: -54.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -782.669315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.669315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.669315 (E_RNA)
where:
Base-Base interactions energy: -430.449
where: short stacking energy: -229.636
Base-Backbone interact. energy: -1.551
local terms energy: -350.669296
where:
bonds (distance) C4'-P energy: -98.281
bonds (distance) P-C4' energy: -95.957
flat angles C4'-P-C4' energy: -86.224
flat angles P-C4'-P energy: -47.436
tors. eta vs tors. theta energy: -22.772
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: 6
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -554.016850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.016850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.016850 (E_RNA)
where:
Base-Base interactions energy: -238.724
where: short stacking energy: -150.342
Base-Backbone interact. energy: 3.368
local terms energy: -318.661331
where:
bonds (distance) C4'-P energy: -95.117
bonds (distance) P-C4' energy: -100.613
flat angles C4'-P-C4' energy: -82.450
flat angles P-C4'-P energy: -45.350
tors. eta vs tors. theta energy: 4.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -2156.971403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.971403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.971403 (E_RNA)
where:
Base-Base interactions energy: -1498.433
where: short stacking energy: -632.876
Base-Backbone interact. energy: -2.188
local terms energy: -656.350043
where:
bonds (distance) C4'-P energy: -114.143
bonds (distance) P-C4' energy: -113.034
flat angles C4'-P-C4' energy: -141.470
flat angles P-C4'-P energy: -96.215
tors. eta vs tors. theta energy: -191.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -2049.649845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.649845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.649845 (E_RNA)
where:
Base-Base interactions energy: -1422.545
where: short stacking energy: -573.331
Base-Backbone interact. energy: -1.801
local terms energy: -625.304113
where:
bonds (distance) C4'-P energy: -119.020
bonds (distance) P-C4' energy: -115.706
flat angles C4'-P-C4' energy: -126.778
flat angles P-C4'-P energy: -86.335
tors. eta vs tors. theta energy: -177.464
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: 4
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1935.283506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.283506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.283506 (E_RNA)
where:
Base-Base interactions energy: -1386.471
where: short stacking energy: -571.734
Base-Backbone interact. energy: 5.725
local terms energy: -554.538111
where:
bonds (distance) C4'-P energy: -89.588
bonds (distance) P-C4' energy: -111.349
flat angles C4'-P-C4' energy: -122.988
flat angles P-C4'-P energy: -76.546
tors. eta vs tors. theta energy: -154.068
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: 10
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -1801.664933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.664933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.664933 (E_RNA)
where:
Base-Base interactions energy: -1241.580
where: short stacking energy: -517.791
Base-Backbone interact. energy: -1.330
local terms energy: -558.754848
where:
bonds (distance) C4'-P energy: -101.630
bonds (distance) P-C4' energy: -107.538
flat angles C4'-P-C4' energy: -108.113
flat angles P-C4'-P energy: -84.657
tors. eta vs tors. theta energy: -156.817
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: 5, replica: 9
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -1688.786722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.786722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.786722 (E_RNA)
where:
Base-Base interactions energy: -1165.415
where: short stacking energy: -471.662
Base-Backbone interact. energy: -2.357
local terms energy: -521.015032
where:
bonds (distance) C4'-P energy: -85.415
bonds (distance) P-C4' energy: -99.851
flat angles C4'-P-C4' energy: -125.753
flat angles P-C4'-P energy: -73.242
tors. eta vs tors. theta energy: -136.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1382.075618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.075618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.075618 (E_RNA)
where:
Base-Base interactions energy: -874.887
where: short stacking energy: -426.952
Base-Backbone interact. energy: -1.529
local terms energy: -505.660011
where:
bonds (distance) C4'-P energy: -105.635
bonds (distance) P-C4' energy: -95.793
flat angles C4'-P-C4' energy: -108.096
flat angles P-C4'-P energy: -70.569
tors. eta vs tors. theta energy: -125.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -1122.857226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.857226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.857226 (E_RNA)
where:
Base-Base interactions energy: -707.899
where: short stacking energy: -310.482
Base-Backbone interact. energy: 0.713
local terms energy: -415.671394
where:
bonds (distance) C4'-P energy: -107.137
bonds (distance) P-C4' energy: -108.019
flat angles C4'-P-C4' energy: -99.607
flat angles P-C4'-P energy: -49.774
tors. eta vs tors. theta energy: -51.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -802.894195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.894195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.894195 (E_RNA)
where:
Base-Base interactions energy: -433.930
where: short stacking energy: -240.086
Base-Backbone interact. energy: -1.635
local terms energy: -367.329387
where:
bonds (distance) C4'-P energy: -83.454
bonds (distance) P-C4' energy: -105.742
flat angles C4'-P-C4' energy: -102.955
flat angles P-C4'-P energy: -56.717
tors. eta vs tors. theta energy: -18.461
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: 390
Temperature: 1.300000
Total energy: -763.116891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.116891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.116891 (E_RNA)
where:
Base-Base interactions energy: -415.191
where: short stacking energy: -214.196
Base-Backbone interact. energy: -1.313
local terms energy: -346.613317
where:
bonds (distance) C4'-P energy: -101.405
bonds (distance) P-C4' energy: -108.280
flat angles C4'-P-C4' energy: -86.158
flat angles P-C4'-P energy: -42.738
tors. eta vs tors. theta energy: -8.033
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: 6
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -541.684285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.684285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.684285 (E_RNA)
where:
Base-Base interactions energy: -221.915
where: short stacking energy: -136.288
Base-Backbone interact. energy: 2.447
local terms energy: -322.216088
where:
bonds (distance) C4'-P energy: -104.672
bonds (distance) P-C4' energy: -104.572
flat angles C4'-P-C4' energy: -84.811
flat angles P-C4'-P energy: -41.795
tors. eta vs tors. theta energy: 13.634
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: 8
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -2174.471879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.471879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.471879 (E_RNA)
where:
Base-Base interactions energy: -1497.379
where: short stacking energy: -643.891
Base-Backbone interact. energy: -2.565
local terms energy: -674.528138
where:
bonds (distance) C4'-P energy: -118.828
bonds (distance) P-C4' energy: -133.968
flat angles C4'-P-C4' energy: -132.507
flat angles P-C4'-P energy: -88.923
tors. eta vs tors. theta energy: -200.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -2053.216114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.216114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.216114 (E_RNA)
where:
Base-Base interactions energy: -1429.623
where: short stacking energy: -610.271
Base-Backbone interact. energy: -0.782
local terms energy: -622.810424
where:
bonds (distance) C4'-P energy: -118.723
bonds (distance) P-C4' energy: -101.670
flat angles C4'-P-C4' energy: -134.172
flat angles P-C4'-P energy: -86.592
tors. eta vs tors. theta energy: -181.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1958.511645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.511645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.511645 (E_RNA)
where:
Base-Base interactions energy: -1385.186
where: short stacking energy: -531.956
Base-Backbone interact. energy: 8.361
local terms energy: -581.686620
where:
bonds (distance) C4'-P energy: -107.414
bonds (distance) P-C4' energy: -113.101
flat angles C4'-P-C4' energy: -135.764
flat angles P-C4'-P energy: -74.599
tors. eta vs tors. theta energy: -150.808
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: 10
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -1874.760094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.760094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.760094 (E_RNA)
where:
Base-Base interactions energy: -1279.256
where: short stacking energy: -561.581
Base-Backbone interact. energy: -1.459
local terms energy: -594.044574
where:
bonds (distance) C4'-P energy: -114.837
bonds (distance) P-C4' energy: -102.625
flat angles C4'-P-C4' energy: -122.258
flat angles P-C4'-P energy: -81.741
tors. eta vs tors. theta energy: -172.583
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: 9
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -1662.467610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.467610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.467610 (E_RNA)
where:
Base-Base interactions energy: -1117.347
where: short stacking energy: -476.676
Base-Backbone interact. energy: -0.683
local terms energy: -544.437006
where:
bonds (distance) C4'-P energy: -92.195
bonds (distance) P-C4' energy: -102.378
flat angles C4'-P-C4' energy: -125.145
flat angles P-C4'-P energy: -78.267
tors. eta vs tors. theta energy: -146.453
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: 3
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1422.139509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.139509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.139509 (E_RNA)
where:
Base-Base interactions energy: -910.591
where: short stacking energy: -422.352
Base-Backbone interact. energy: 0.848
local terms energy: -512.396198
where:
bonds (distance) C4'-P energy: -109.637
bonds (distance) P-C4' energy: -123.043
flat angles C4'-P-C4' energy: -102.779
flat angles P-C4'-P energy: -75.056
tors. eta vs tors. theta energy: -101.882
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: 1
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -1102.108792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.108792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.108792 (E_RNA)
where:
Base-Base interactions energy: -670.136
where: short stacking energy: -319.622
Base-Backbone interact. energy: -3.023
local terms energy: -428.949346
where:
bonds (distance) C4'-P energy: -89.037
bonds (distance) P-C4' energy: -109.481
flat angles C4'-P-C4' energy: -109.203
flat angles P-C4'-P energy: -64.013
tors. eta vs tors. theta energy: -57.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -819.750208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.750208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.750208 (E_RNA)
where:
Base-Base interactions energy: -440.381
where: short stacking energy: -225.602
Base-Backbone interact. energy: -1.559
local terms energy: -377.809468
where:
bonds (distance) C4'-P energy: -104.427
bonds (distance) P-C4' energy: -106.947
flat angles C4'-P-C4' energy: -96.244
flat angles P-C4'-P energy: -47.368
tors. eta vs tors. theta energy: -22.823
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: 2
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -812.084329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.084329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.084329 (E_RNA)
where:
Base-Base interactions energy: -407.666
where: short stacking energy: -228.653
Base-Backbone interact. energy: -1.496
local terms energy: -402.922531
where:
bonds (distance) C4'-P energy: -100.541
bonds (distance) P-C4' energy: -112.567
flat angles C4'-P-C4' energy: -89.149
flat angles P-C4'-P energy: -70.097
tors. eta vs tors. theta energy: -30.568
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: 6
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -573.924810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.924810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.924810 (E_RNA)
where:
Base-Base interactions energy: -241.701
where: short stacking energy: -156.023
Base-Backbone interact. energy: -1.542
local terms energy: -330.682023
where:
bonds (distance) C4'-P energy: -82.560
bonds (distance) P-C4' energy: -106.991
flat angles C4'-P-C4' energy: -85.971
flat angles P-C4'-P energy: -51.804
tors. eta vs tors. theta energy: -3.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -2193.230124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.230124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.230124 (E_RNA)
where:
Base-Base interactions energy: -1518.655
where: short stacking energy: -638.399
Base-Backbone interact. energy: -4.741
local terms energy: -669.833975
where:
bonds (distance) C4'-P energy: -124.635
bonds (distance) P-C4' energy: -117.325
flat angles C4'-P-C4' energy: -129.428
flat angles P-C4'-P energy: -99.633
tors. eta vs tors. theta energy: -198.813
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: 7
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -2024.873654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.873654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.873654 (E_RNA)
where:
Base-Base interactions energy: -1406.828
where: short stacking energy: -570.200
Base-Backbone interact. energy: -3.690
local terms energy: -614.355910
where:
bonds (distance) C4'-P energy: -104.736
bonds (distance) P-C4' energy: -119.241
flat angles C4'-P-C4' energy: -123.140
flat angles P-C4'-P energy: -89.591
tors. eta vs tors. theta energy: -177.649
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: 4
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1946.251094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.251094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.251094 (E_RNA)
where:
Base-Base interactions energy: -1354.379
where: short stacking energy: -529.035
Base-Backbone interact. energy: -3.086
local terms energy: -588.786056
where:
bonds (distance) C4'-P energy: -113.211
bonds (distance) P-C4' energy: -110.100
flat angles C4'-P-C4' energy: -131.761
flat angles P-C4'-P energy: -80.855
tors. eta vs tors. theta energy: -152.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -1867.110631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.110631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.110631 (E_RNA)
where:
Base-Base interactions energy: -1282.472
where: short stacking energy: -560.270
Base-Backbone interact. energy: -2.119
local terms energy: -582.519995
where:
bonds (distance) C4'-P energy: -102.320
bonds (distance) P-C4' energy: -116.654
flat angles C4'-P-C4' energy: -135.482
flat angles P-C4'-P energy: -71.428
tors. eta vs tors. theta energy: -156.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -1653.328448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.328448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.328448 (E_RNA)
where:
Base-Base interactions energy: -1112.067
where: short stacking energy: -459.254
Base-Backbone interact. energy: -2.785
local terms energy: -538.476190
where:
bonds (distance) C4'-P energy: -109.508
bonds (distance) P-C4' energy: -105.523
flat angles C4'-P-C4' energy: -119.342
flat angles P-C4'-P energy: -75.466
tors. eta vs tors. theta energy: -128.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -1386.124675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.124675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.124675 (E_RNA)
where:
Base-Base interactions energy: -893.311
where: short stacking energy: -410.647
Base-Backbone interact. energy: -3.334
local terms energy: -489.479656
where:
bonds (distance) C4'-P energy: -97.976
bonds (distance) P-C4' energy: -80.924
flat angles C4'-P-C4' energy: -121.018
flat angles P-C4'-P energy: -77.911
tors. eta vs tors. theta energy: -111.651
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: 1
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1050.104750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.104750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.104750 (E_RNA)
where:
Base-Base interactions energy: -616.279
where: short stacking energy: -276.781
Base-Backbone interact. energy: -0.420
local terms energy: -433.406310
where:
bonds (distance) C4'-P energy: -104.311
bonds (distance) P-C4' energy: -117.748
flat angles C4'-P-C4' energy: -91.072
flat angles P-C4'-P energy: -65.994
tors. eta vs tors. theta energy: -54.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -832.038018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.038018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.038018 (E_RNA)
where:
Base-Base interactions energy: -450.325
where: short stacking energy: -252.372
Base-Backbone interact. energy: 2.054
local terms energy: -383.766226
where:
bonds (distance) C4'-P energy: -98.591
bonds (distance) P-C4' energy: -94.114
flat angles C4'-P-C4' energy: -96.470
flat angles P-C4'-P energy: -60.171
tors. eta vs tors. theta energy: -34.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -721.939082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.939082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.939082 (E_RNA)
where:
Base-Base interactions energy: -378.091
where: short stacking energy: -197.062
Base-Backbone interact. energy: 0.952
local terms energy: -344.800144
where:
bonds (distance) C4'-P energy: -81.162
bonds (distance) P-C4' energy: -103.217
flat angles C4'-P-C4' energy: -70.286
flat angles P-C4'-P energy: -72.489
tors. eta vs tors. theta energy: -17.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -565.109457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.109457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.109457 (E_RNA)
where:
Base-Base interactions energy: -251.330
where: short stacking energy: -163.874
Base-Backbone interact. energy: 0.307
local terms energy: -314.086986
where:
bonds (distance) C4'-P energy: -78.926
bonds (distance) P-C4' energy: -100.058
flat angles C4'-P-C4' energy: -89.235
flat angles P-C4'-P energy: -51.436
tors. eta vs tors. theta energy: 5.569
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: 1, replica: 8
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -2177.707128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.707128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.707128 (E_RNA)
where:
Base-Base interactions energy: -1517.119
where: short stacking energy: -644.058
Base-Backbone interact. energy: -0.773
local terms energy: -659.814690
where:
bonds (distance) C4'-P energy: -122.415
bonds (distance) P-C4' energy: -121.212
flat angles C4'-P-C4' energy: -132.127
flat angles P-C4'-P energy: -85.358
tors. eta vs tors. theta energy: -198.704
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: 2, replica: 7
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -2053.741794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.741794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.741794 (E_RNA)
where:
Base-Base interactions energy: -1429.727
where: short stacking energy: -610.914
Base-Backbone interact. energy: -1.024
local terms energy: -622.990551
where:
bonds (distance) C4'-P energy: -109.054
bonds (distance) P-C4' energy: -124.891
flat angles C4'-P-C4' energy: -135.177
flat angles P-C4'-P energy: -74.588
tors. eta vs tors. theta energy: -179.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1956.330773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.330773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.330773 (E_RNA)
where:
Base-Base interactions energy: -1378.659
where: short stacking energy: -559.590
Base-Backbone interact. energy: 4.232
local terms energy: -581.903804
where:
bonds (distance) C4'-P energy: -104.847
bonds (distance) P-C4' energy: -121.059
flat angles C4'-P-C4' energy: -118.597
flat angles P-C4'-P energy: -84.338
tors. eta vs tors. theta energy: -153.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -1849.248991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.248991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.248991 (E_RNA)
where:
Base-Base interactions energy: -1264.504
where: short stacking energy: -561.714
Base-Backbone interact. energy: -0.557
local terms energy: -584.187292
where:
bonds (distance) C4'-P energy: -110.926
bonds (distance) P-C4' energy: -100.546
flat angles C4'-P-C4' energy: -121.628
flat angles P-C4'-P energy: -89.174
tors. eta vs tors. theta energy: -161.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -1679.229447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.229447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.229447 (E_RNA)
where:
Base-Base interactions energy: -1125.728
where: short stacking energy: -468.243
Base-Backbone interact. energy: 0.613
local terms energy: -554.113627
where:
bonds (distance) C4'-P energy: -123.602
bonds (distance) P-C4' energy: -106.493
flat angles C4'-P-C4' energy: -123.436
flat angles P-C4'-P energy: -63.179
tors. eta vs tors. theta energy: -137.404
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: 3
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1405.418351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.418351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.418351 (E_RNA)
where:
Base-Base interactions energy: -901.537
where: short stacking energy: -409.197
Base-Backbone interact. energy: 1.681
local terms energy: -505.562117
where:
bonds (distance) C4'-P energy: -107.110
bonds (distance) P-C4' energy: -95.404
flat angles C4'-P-C4' energy: -120.938
flat angles P-C4'-P energy: -63.172
tors. eta vs tors. theta energy: -118.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -1122.910866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.910866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.910866 (E_RNA)
where:
Base-Base interactions energy: -704.300
where: short stacking energy: -335.727
Base-Backbone interact. energy: 2.454
local terms energy: -421.064316
where:
bonds (distance) C4'-P energy: -101.872
bonds (distance) P-C4' energy: -105.770
flat angles C4'-P-C4' energy: -92.642
flat angles P-C4'-P energy: -55.030
tors. eta vs tors. theta energy: -65.750
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: 393
Temperature: 1.250000
Total energy: -823.188751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.188751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.188751 (E_RNA)
where:
Base-Base interactions energy: -457.806
where: short stacking energy: -245.949
Base-Backbone interact. energy: 3.126
local terms energy: -368.508582
where:
bonds (distance) C4'-P energy: -93.562
bonds (distance) P-C4' energy: -98.172
flat angles C4'-P-C4' energy: -100.039
flat angles P-C4'-P energy: -50.363
tors. eta vs tors. theta energy: -26.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -749.154321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.154321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.154321 (E_RNA)
where:
Base-Base interactions energy: -398.613
where: short stacking energy: -221.813
Base-Backbone interact. energy: 0.224
local terms energy: -350.764898
where:
bonds (distance) C4'-P energy: -90.962
bonds (distance) P-C4' energy: -92.992
flat angles C4'-P-C4' energy: -114.375
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -1.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -559.167847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.167847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.167847 (E_RNA)
where:
Base-Base interactions energy: -245.500
where: short stacking energy: -128.137
Base-Backbone interact. energy: 1.688
local terms energy: -315.355676
where:
bonds (distance) C4'-P energy: -94.211
bonds (distance) P-C4' energy: -92.898
flat angles C4'-P-C4' energy: -80.773
flat angles P-C4'-P energy: -55.592
tors. eta vs tors. theta energy: 8.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -2175.720616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.720616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.720616 (E_RNA)
where:
Base-Base interactions energy: -1506.428
where: short stacking energy: -627.345
Base-Backbone interact. energy: -0.762
local terms energy: -668.530999
where:
bonds (distance) C4'-P energy: -117.333
bonds (distance) P-C4' energy: -113.634
flat angles C4'-P-C4' energy: -130.149
flat angles P-C4'-P energy: -108.999
tors. eta vs tors. theta energy: -198.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -2046.753395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.753395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.753395 (E_RNA)
where:
Base-Base interactions energy: -1436.758
where: short stacking energy: -609.676
Base-Backbone interact. energy: 3.202
local terms energy: -613.197921
where:
bonds (distance) C4'-P energy: -107.077
bonds (distance) P-C4' energy: -118.832
flat angles C4'-P-C4' energy: -123.849
flat angles P-C4'-P energy: -84.071
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: 3, replica: 4
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1928.844373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.844373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.844373 (E_RNA)
where:
Base-Base interactions energy: -1328.298
where: short stacking energy: -540.223
Base-Backbone interact. energy: -4.505
local terms energy: -596.041702
where:
bonds (distance) C4'-P energy: -103.998
bonds (distance) P-C4' energy: -123.742
flat angles C4'-P-C4' energy: -128.738
flat angles P-C4'-P energy: -83.586
tors. eta vs tors. theta energy: -155.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -1850.608121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.608121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.608121 (E_RNA)
where:
Base-Base interactions energy: -1264.398
where: short stacking energy: -527.197
Base-Backbone interact. energy: -1.600
local terms energy: -584.610379
where:
bonds (distance) C4'-P energy: -121.353
bonds (distance) P-C4' energy: -98.300
flat angles C4'-P-C4' energy: -139.005
flat angles P-C4'-P energy: -73.815
tors. eta vs tors. theta energy: -152.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -1644.835951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.835951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.835951 (E_RNA)
where:
Base-Base interactions energy: -1105.608
where: short stacking energy: -473.027
Base-Backbone interact. energy: -2.302
local terms energy: -536.925875
where:
bonds (distance) C4'-P energy: -92.818
bonds (distance) P-C4' energy: -113.106
flat angles C4'-P-C4' energy: -128.424
flat angles P-C4'-P energy: -69.092
tors. eta vs tors. theta energy: -133.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1404.900985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.900985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.900985 (E_RNA)
where:
Base-Base interactions energy: -913.523
where: short stacking energy: -413.119
Base-Backbone interact. energy: -3.604
local terms energy: -487.773679
where:
bonds (distance) C4'-P energy: -79.061
bonds (distance) P-C4' energy: -120.493
flat angles C4'-P-C4' energy: -115.186
flat angles P-C4'-P energy: -66.918
tors. eta vs tors. theta energy: -106.115
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: 7, replica: 1
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1115.235885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.235885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.235885 (E_RNA)
where:
Base-Base interactions energy: -657.497
where: short stacking energy: -331.164
Base-Backbone interact. energy: -3.782
local terms energy: -453.956286
where:
bonds (distance) C4'-P energy: -96.882
bonds (distance) P-C4' energy: -104.090
flat angles C4'-P-C4' energy: -109.480
flat angles P-C4'-P energy: -65.977
tors. eta vs tors. theta energy: -77.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -821.228236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.228236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.228236 (E_RNA)
where:
Base-Base interactions energy: -475.356
where: short stacking energy: -223.530
Base-Backbone interact. energy: 4.171
local terms energy: -350.043059
where:
bonds (distance) C4'-P energy: -99.612
bonds (distance) P-C4' energy: -97.288
flat angles C4'-P-C4' energy: -72.559
flat angles P-C4'-P energy: -65.045
tors. eta vs tors. theta energy: -15.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -809.989109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.989109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.989109 (E_RNA)
where:
Base-Base interactions energy: -449.805
where: short stacking energy: -235.239
Base-Backbone interact. energy: -0.672
local terms energy: -359.512225
where:
bonds (distance) C4'-P energy: -84.071
bonds (distance) P-C4' energy: -97.837
flat angles C4'-P-C4' energy: -93.308
flat angles P-C4'-P energy: -53.401
tors. eta vs tors. theta energy: -30.895
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: 10, replica: 6
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -586.570280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.570280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.570280 (E_RNA)
where:
Base-Base interactions energy: -285.501
where: short stacking energy: -177.558
Base-Backbone interact. energy: -1.705
local terms energy: -299.363654
where:
bonds (distance) C4'-P energy: -86.670
bonds (distance) P-C4' energy: -101.356
flat angles C4'-P-C4' energy: -78.514
flat angles P-C4'-P energy: -41.985
tors. eta vs tors. theta energy: 9.162
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: 8
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -2204.290564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.290564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.290564 (E_RNA)
where:
Base-Base interactions energy: -1518.394
where: short stacking energy: -631.781
Base-Backbone interact. energy: 0.071
local terms energy: -685.967086
where:
bonds (distance) C4'-P energy: -122.385
bonds (distance) P-C4' energy: -131.599
flat angles C4'-P-C4' energy: -135.626
flat angles P-C4'-P energy: -97.472
tors. eta vs tors. theta energy: -198.886
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: 7
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -2029.995487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.995487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.995487 (E_RNA)
where:
Base-Base interactions energy: -1420.391
where: short stacking energy: -586.684
Base-Backbone interact. energy: -2.554
local terms energy: -607.051100
where:
bonds (distance) C4'-P energy: -116.298
bonds (distance) P-C4' energy: -95.867
flat angles C4'-P-C4' energy: -131.611
flat angles P-C4'-P energy: -87.252
tors. eta vs tors. theta energy: -176.023
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: 3, replica: 4
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -1934.190439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.190439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.190439 (E_RNA)
where:
Base-Base interactions energy: -1341.964
where: short stacking energy: -531.003
Base-Backbone interact. energy: 0.040
local terms energy: -592.266777
where:
bonds (distance) C4'-P energy: -124.805
bonds (distance) P-C4' energy: -113.887
flat angles C4'-P-C4' energy: -126.376
flat angles P-C4'-P energy: -81.643
tors. eta vs tors. theta energy: -145.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -1854.441586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.441586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.441586 (E_RNA)
where:
Base-Base interactions energy: -1270.004
where: short stacking energy: -531.281
Base-Backbone interact. energy: -0.577
local terms energy: -583.860253
where:
bonds (distance) C4'-P energy: -113.344
bonds (distance) P-C4' energy: -110.561
flat angles C4'-P-C4' energy: -116.503
flat angles P-C4'-P energy: -86.104
tors. eta vs tors. theta energy: -157.349
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: 9
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -1659.692652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.692652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.692652 (E_RNA)
where:
Base-Base interactions energy: -1143.850
where: short stacking energy: -482.224
Base-Backbone interact. energy: 1.165
local terms energy: -517.007059
where:
bonds (distance) C4'-P energy: -98.615
bonds (distance) P-C4' energy: -114.987
flat angles C4'-P-C4' energy: -104.667
flat angles P-C4'-P energy: -67.899
tors. eta vs tors. theta energy: -130.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1424.941657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.941657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.941657 (E_RNA)
where:
Base-Base interactions energy: -936.824
where: short stacking energy: -423.973
Base-Backbone interact. energy: 0.856
local terms energy: -488.974101
where:
bonds (distance) C4'-P energy: -116.001
bonds (distance) P-C4' energy: -105.939
flat angles C4'-P-C4' energy: -104.409
flat angles P-C4'-P energy: -63.141
tors. eta vs tors. theta energy: -99.484
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: 1
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1124.842408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.842408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.842408 (E_RNA)
where:
Base-Base interactions energy: -646.249
where: short stacking energy: -322.201
Base-Backbone interact. energy: 0.465
local terms energy: -479.059160
where:
bonds (distance) C4'-P energy: -94.719
bonds (distance) P-C4' energy: -108.637
flat angles C4'-P-C4' energy: -110.621
flat angles P-C4'-P energy: -81.594
tors. eta vs tors. theta energy: -83.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -829.495911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.495911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.495911 (E_RNA)
where:
Base-Base interactions energy: -461.785
where: short stacking energy: -244.613
Base-Backbone interact. energy: 0.355
local terms energy: -368.065619
where:
bonds (distance) C4'-P energy: -93.924
bonds (distance) P-C4' energy: -92.921
flat angles C4'-P-C4' energy: -91.838
flat angles P-C4'-P energy: -45.594
tors. eta vs tors. theta energy: -43.787
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: 9, replica: 2
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -817.585809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.585809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.585809 (E_RNA)
where:
Base-Base interactions energy: -448.541
where: short stacking energy: -217.062
Base-Backbone interact. energy: -0.891
local terms energy: -368.153524
where:
bonds (distance) C4'-P energy: -107.360
bonds (distance) P-C4' energy: -94.859
flat angles C4'-P-C4' energy: -84.685
flat angles P-C4'-P energy: -63.087
tors. eta vs tors. theta energy: -18.162
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: 6
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -537.317336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.317336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.317336 (E_RNA)
where:
Base-Base interactions energy: -242.877
where: short stacking energy: -141.222
Base-Backbone interact. energy: 0.326
local terms energy: -294.766185
where:
bonds (distance) C4'-P energy: -91.063
bonds (distance) P-C4' energy: -100.784
flat angles C4'-P-C4' energy: -90.496
flat angles P-C4'-P energy: -18.543
tors. eta vs tors. theta energy: 6.121
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: 1, replica: 8
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -2196.843011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.843011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.843011 (E_RNA)
where:
Base-Base interactions energy: -1530.907
where: short stacking energy: -617.806
Base-Backbone interact. energy: 1.894
local terms energy: -667.830132
where:
bonds (distance) C4'-P energy: -124.453
bonds (distance) P-C4' energy: -121.625
flat angles C4'-P-C4' energy: -141.936
flat angles P-C4'-P energy: -83.111
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: 2, replica: 7
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -2016.905795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.905795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.905795 (E_RNA)
where:
Base-Base interactions energy: -1406.441
where: short stacking energy: -561.696
Base-Backbone interact. energy: -2.165
local terms energy: -608.299643
where:
bonds (distance) C4'-P energy: -117.138
bonds (distance) P-C4' energy: -109.468
flat angles C4'-P-C4' energy: -123.783
flat angles P-C4'-P energy: -87.295
tors. eta vs tors. theta energy: -170.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -1952.266431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.266431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.266431 (E_RNA)
where:
Base-Base interactions energy: -1364.957
where: short stacking energy: -556.588
Base-Backbone interact. energy: 0.711
local terms energy: -588.021179
where:
bonds (distance) C4'-P energy: -111.912
bonds (distance) P-C4' energy: -117.304
flat angles C4'-P-C4' energy: -124.013
flat angles P-C4'-P energy: -86.133
tors. eta vs tors. theta energy: -148.660
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: 10
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -1835.005961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.005961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.005961 (E_RNA)
where:
Base-Base interactions energy: -1256.602
where: short stacking energy: -526.604
Base-Backbone interact. energy: 1.549
local terms energy: -579.952102
where:
bonds (distance) C4'-P energy: -110.753
bonds (distance) P-C4' energy: -120.855
flat angles C4'-P-C4' energy: -117.900
flat angles P-C4'-P energy: -74.639
tors. eta vs tors. theta energy: -155.805
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: 396
Temperature: 1.100000
Total energy: -1655.868160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.868160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.868160 (E_RNA)
where:
Base-Base interactions energy: -1114.358
where: short stacking energy: -452.324
Base-Backbone interact. energy: -3.754
local terms energy: -537.756181
where:
bonds (distance) C4'-P energy: -113.406
bonds (distance) P-C4' energy: -107.961
flat angles C4'-P-C4' energy: -119.545
flat angles P-C4'-P energy: -69.950
tors. eta vs tors. theta energy: -126.894
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: 3
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -1404.462105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.462105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.462105 (E_RNA)
where:
Base-Base interactions energy: -938.326
where: short stacking energy: -425.503
Base-Backbone interact. energy: -2.623
local terms energy: -463.513781
where:
bonds (distance) C4'-P energy: -82.271
bonds (distance) P-C4' energy: -94.542
flat angles C4'-P-C4' energy: -117.200
flat angles P-C4'-P energy: -57.541
tors. eta vs tors. theta energy: -111.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1128.357873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.357873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.357873 (E_RNA)
where:
Base-Base interactions energy: -706.558
where: short stacking energy: -322.426
Base-Backbone interact. energy: 3.721
local terms energy: -425.520574
where:
bonds (distance) C4'-P energy: -112.061
bonds (distance) P-C4' energy: -93.516
flat angles C4'-P-C4' energy: -95.291
flat angles P-C4'-P energy: -64.190
tors. eta vs tors. theta energy: -60.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -858.271651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.271651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.271651 (E_RNA)
where:
Base-Base interactions energy: -477.375
where: short stacking energy: -223.911
Base-Backbone interact. energy: -1.792
local terms energy: -379.104940
where:
bonds (distance) C4'-P energy: -104.238
bonds (distance) P-C4' energy: -100.849
flat angles C4'-P-C4' energy: -99.665
flat angles P-C4'-P energy: -48.295
tors. eta vs tors. theta energy: -26.058
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: 9, replica: 2
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -819.405764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.405764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.405764 (E_RNA)
where:
Base-Base interactions energy: -460.784
where: short stacking energy: -227.673
Base-Backbone interact. energy: 3.503
local terms energy: -362.125100
where:
bonds (distance) C4'-P energy: -108.087
bonds (distance) P-C4' energy: -98.463
flat angles C4'-P-C4' energy: -99.466
flat angles P-C4'-P energy: -39.687
tors. eta vs tors. theta energy: -16.422
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: 6
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -579.014225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.014225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.014225 (E_RNA)
where:
Base-Base interactions energy: -261.606
where: short stacking energy: -149.191
Base-Backbone interact. energy: -1.092
local terms energy: -316.316206
where:
bonds (distance) C4'-P energy: -102.281
bonds (distance) P-C4' energy: -95.817
flat angles C4'-P-C4' energy: -84.376
flat angles P-C4'-P energy: -50.377
tors. eta vs tors. theta energy: 16.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -2180.010200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.010200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.010200 (E_RNA)
where:
Base-Base interactions energy: -1520.372
where: short stacking energy: -645.990
Base-Backbone interact. energy: -0.847
local terms energy: -658.791691
where:
bonds (distance) C4'-P energy: -119.831
bonds (distance) P-C4' energy: -113.281
flat angles C4'-P-C4' energy: -141.141
flat angles P-C4'-P energy: -88.954
tors. eta vs tors. theta energy: -195.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -2020.227027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.227027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.227027 (E_RNA)
where:
Base-Base interactions energy: -1397.997
where: short stacking energy: -584.477
Base-Backbone interact. energy: -3.788
local terms energy: -618.442234
where:
bonds (distance) C4'-P energy: -121.308
bonds (distance) P-C4' energy: -111.544
flat angles C4'-P-C4' energy: -131.140
flat angles P-C4'-P energy: -83.943
tors. eta vs tors. theta energy: -170.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1955.884338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.884338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.884338 (E_RNA)
where:
Base-Base interactions energy: -1371.454
where: short stacking energy: -539.112
Base-Backbone interact. energy: 1.888
local terms energy: -586.318517
where:
bonds (distance) C4'-P energy: -106.558
bonds (distance) P-C4' energy: -110.625
flat angles C4'-P-C4' energy: -125.471
flat angles P-C4'-P energy: -84.568
tors. eta vs tors. theta energy: -159.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -1847.334835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.334835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.334835 (E_RNA)
where:
Base-Base interactions energy: -1254.632
where: short stacking energy: -536.070
Base-Backbone interact. energy: -0.910
local terms energy: -591.792850
where:
bonds (distance) C4'-P energy: -97.969
bonds (distance) P-C4' energy: -113.569
flat angles C4'-P-C4' energy: -129.263
flat angles P-C4'-P energy: -94.579
tors. eta vs tors. theta energy: -156.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -1627.854741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.854741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.854741 (E_RNA)
where:
Base-Base interactions energy: -1100.751
where: short stacking energy: -455.935
Base-Backbone interact. energy: 0.037
local terms energy: -527.140712
where:
bonds (distance) C4'-P energy: -91.227
bonds (distance) P-C4' energy: -105.819
flat angles C4'-P-C4' energy: -119.934
flat angles P-C4'-P energy: -76.738
tors. eta vs tors. theta energy: -133.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -1388.545401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.545401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.545401 (E_RNA)
where:
Base-Base interactions energy: -889.146
where: short stacking energy: -400.249
Base-Backbone interact. energy: -0.424
local terms energy: -498.975778
where:
bonds (distance) C4'-P energy: -92.303
bonds (distance) P-C4' energy: -116.536
flat angles C4'-P-C4' energy: -118.420
flat angles P-C4'-P energy: -69.647
tors. eta vs tors. theta energy: -102.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -1164.941217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.941217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.941217 (E_RNA)
where:
Base-Base interactions energy: -712.087
where: short stacking energy: -319.805
Base-Backbone interact. energy: -2.231
local terms energy: -450.623269
where:
bonds (distance) C4'-P energy: -121.269
bonds (distance) P-C4' energy: -84.835
flat angles C4'-P-C4' energy: -100.710
flat angles P-C4'-P energy: -74.687
tors. eta vs tors. theta energy: -69.123
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: 397
Temperature: 1.250000
Total energy: -857.826192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.826192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.826192 (E_RNA)
where:
Base-Base interactions energy: -504.324
where: short stacking energy: -249.775
Base-Backbone interact. energy: -2.207
local terms energy: -351.296142
where:
bonds (distance) C4'-P energy: -79.142
bonds (distance) P-C4' energy: -98.996
flat angles C4'-P-C4' energy: -86.999
flat angles P-C4'-P energy: -45.923
tors. eta vs tors. theta energy: -40.235
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: 2
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -847.739852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.739852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.739852 (E_RNA)
where:
Base-Base interactions energy: -473.615
where: short stacking energy: -239.994
Base-Backbone interact. energy: -0.027
local terms energy: -374.098254
where:
bonds (distance) C4'-P energy: -97.934
bonds (distance) P-C4' energy: -99.937
flat angles C4'-P-C4' energy: -95.898
flat angles P-C4'-P energy: -52.288
tors. eta vs tors. theta energy: -28.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -564.183870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.183870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.183870 (E_RNA)
where:
Base-Base interactions energy: -273.301
where: short stacking energy: -171.775
Base-Backbone interact. energy: -1.561
local terms energy: -289.321993
where:
bonds (distance) C4'-P energy: -86.983
bonds (distance) P-C4' energy: -81.905
flat angles C4'-P-C4' energy: -85.371
flat angles P-C4'-P energy: -43.843
tors. eta vs tors. theta energy: 8.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -2169.423823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.423823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.423823 (E_RNA)
where:
Base-Base interactions energy: -1497.412
where: short stacking energy: -637.430
Base-Backbone interact. energy: -3.948
local terms energy: -668.064289
where:
bonds (distance) C4'-P energy: -111.787
bonds (distance) P-C4' energy: -127.457
flat angles C4'-P-C4' energy: -142.064
flat angles P-C4'-P energy: -91.050
tors. eta vs tors. theta energy: -195.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -2031.186027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.186027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.186027 (E_RNA)
where:
Base-Base interactions energy: -1423.641
where: short stacking energy: -586.430
Base-Backbone interact. energy: -3.214
local terms energy: -604.331184
where:
bonds (distance) C4'-P energy: -98.129
bonds (distance) P-C4' energy: -120.139
flat angles C4'-P-C4' energy: -133.867
flat angles P-C4'-P energy: -83.011
tors. eta vs tors. theta energy: -169.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -1923.569309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.569309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.569309 (E_RNA)
where:
Base-Base interactions energy: -1320.183
where: short stacking energy: -517.829
Base-Backbone interact. energy: -0.250
local terms energy: -603.136652
where:
bonds (distance) C4'-P energy: -107.725
bonds (distance) P-C4' energy: -108.376
flat angles C4'-P-C4' energy: -135.952
flat angles P-C4'-P energy: -97.336
tors. eta vs tors. theta energy: -153.747
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: 10
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -1857.665504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.665504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.665504 (E_RNA)
where:
Base-Base interactions energy: -1251.250
where: short stacking energy: -552.750
Base-Backbone interact. energy: -0.730
local terms energy: -605.685933
where:
bonds (distance) C4'-P energy: -108.391
bonds (distance) P-C4' energy: -113.314
flat angles C4'-P-C4' energy: -130.100
flat angles P-C4'-P energy: -90.965
tors. eta vs tors. theta energy: -162.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -1645.238800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.238800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.238800 (E_RNA)
where:
Base-Base interactions energy: -1143.090
where: short stacking energy: -461.252
Base-Backbone interact. energy: -3.706
local terms energy: -498.442953
where:
bonds (distance) C4'-P energy: -95.604
bonds (distance) P-C4' energy: -101.644
flat angles C4'-P-C4' energy: -104.142
flat angles P-C4'-P energy: -72.408
tors. eta vs tors. theta energy: -124.645
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: 3
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -1393.585478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.585478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.585478 (E_RNA)
where:
Base-Base interactions energy: -919.365
where: short stacking energy: -405.740
Base-Backbone interact. energy: 1.490
local terms energy: -475.710008
where:
bonds (distance) C4'-P energy: -93.516
bonds (distance) P-C4' energy: -95.742
flat angles C4'-P-C4' energy: -102.688
flat angles P-C4'-P energy: -84.491
tors. eta vs tors. theta energy: -99.273
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: 7, replica: 1
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1207.428137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.428137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.428137 (E_RNA)
where:
Base-Base interactions energy: -748.601
where: short stacking energy: -349.330
Base-Backbone interact. energy: -2.032
local terms energy: -456.795500
where:
bonds (distance) C4'-P energy: -91.174
bonds (distance) P-C4' energy: -114.622
flat angles C4'-P-C4' energy: -112.066
flat angles P-C4'-P energy: -65.536
tors. eta vs tors. theta energy: -73.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -968.966477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.966477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.966477 (E_RNA)
where:
Base-Base interactions energy: -578.654
where: short stacking energy: -283.053
Base-Backbone interact. energy: 2.720
local terms energy: -393.032249
where:
bonds (distance) C4'-P energy: -90.442
bonds (distance) P-C4' energy: -114.633
flat angles C4'-P-C4' energy: -75.347
flat angles P-C4'-P energy: -63.088
tors. eta vs tors. theta energy: -49.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -834.212851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.212851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.212851 (E_RNA)
where:
Base-Base interactions energy: -460.246
where: short stacking energy: -241.841
Base-Backbone interact. energy: 1.440
local terms energy: -375.407380
where:
bonds (distance) C4'-P energy: -104.916
bonds (distance) P-C4' energy: -114.546
flat angles C4'-P-C4' energy: -92.768
flat angles P-C4'-P energy: -49.915
tors. eta vs tors. theta energy: -13.262
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: 6
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -603.223168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.223168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.223168 (E_RNA)
where:
Base-Base interactions energy: -291.838
where: short stacking energy: -174.480
Base-Backbone interact. energy: 0.701
local terms energy: -312.087118
where:
bonds (distance) C4'-P energy: -75.243
bonds (distance) P-C4' energy: -83.878
flat angles C4'-P-C4' energy: -95.876
flat angles P-C4'-P energy: -42.101
tors. eta vs tors. theta energy: -14.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -2158.735446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.735446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.735446 (E_RNA)
where:
Base-Base interactions energy: -1491.982
where: short stacking energy: -624.636
Base-Backbone interact. energy: -1.156
local terms energy: -665.597328
where:
bonds (distance) C4'-P energy: -113.764
bonds (distance) P-C4' energy: -118.784
flat angles C4'-P-C4' energy: -137.126
flat angles P-C4'-P energy: -99.519
tors. eta vs tors. theta energy: -196.403
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: 2, replica: 7
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -2052.968988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.968988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.968988 (E_RNA)
where:
Base-Base interactions energy: -1435.436
where: short stacking energy: -587.160
Base-Backbone interact. energy: -2.249
local terms energy: -615.284125
where:
bonds (distance) C4'-P energy: -127.623
bonds (distance) P-C4' energy: -101.873
flat angles C4'-P-C4' energy: -120.927
flat angles P-C4'-P energy: -89.095
tors. eta vs tors. theta energy: -175.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -1923.241903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.241903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.241903 (E_RNA)
where:
Base-Base interactions energy: -1323.898
where: short stacking energy: -527.550
Base-Backbone interact. energy: -4.167
local terms energy: -595.176956
where:
bonds (distance) C4'-P energy: -106.486
bonds (distance) P-C4' energy: -117.033
flat angles C4'-P-C4' energy: -123.093
flat angles P-C4'-P energy: -85.794
tors. eta vs tors. theta energy: -162.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -1850.250915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.250915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.250915 (E_RNA)
where:
Base-Base interactions energy: -1260.707
where: short stacking energy: -542.725
Base-Backbone interact. energy: -2.645
local terms energy: -586.899265
where:
bonds (distance) C4'-P energy: -103.580
bonds (distance) P-C4' energy: -102.108
flat angles C4'-P-C4' energy: -125.993
flat angles P-C4'-P energy: -92.583
tors. eta vs tors. theta energy: -162.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -1624.189007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.189007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.189007 (E_RNA)
where:
Base-Base interactions energy: -1077.403
where: short stacking energy: -467.613
Base-Backbone interact. energy: -0.335
local terms energy: -546.451163
where:
bonds (distance) C4'-P energy: -89.755
bonds (distance) P-C4' energy: -110.229
flat angles C4'-P-C4' energy: -123.049
flat angles P-C4'-P energy: -92.831
tors. eta vs tors. theta energy: -130.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -1389.077761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.077761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.077761 (E_RNA)
where:
Base-Base interactions energy: -907.309
where: short stacking energy: -409.598
Base-Backbone interact. energy: 0.163
local terms energy: -481.932465
where:
bonds (distance) C4'-P energy: -100.586
bonds (distance) P-C4' energy: -93.993
flat angles C4'-P-C4' energy: -116.219
flat angles P-C4'-P energy: -65.870
tors. eta vs tors. theta energy: -105.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -1175.888949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.888949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.888949 (E_RNA)
where:
Base-Base interactions energy: -719.501
where: short stacking energy: -330.873
Base-Backbone interact. energy: -0.425
local terms energy: -455.963084
where:
bonds (distance) C4'-P energy: -98.361
bonds (distance) P-C4' energy: -94.791
flat angles C4'-P-C4' energy: -110.528
flat angles P-C4'-P energy: -70.924
tors. eta vs tors. theta energy: -81.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -932.953219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.953219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.953219 (E_RNA)
where:
Base-Base interactions energy: -538.242
where: short stacking energy: -265.145
Base-Backbone interact. energy: 2.867
local terms energy: -397.577833
where:
bonds (distance) C4'-P energy: -102.549
bonds (distance) P-C4' energy: -107.703
flat angles C4'-P-C4' energy: -92.730
flat angles P-C4'-P energy: -55.352
tors. eta vs tors. theta energy: -39.244
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: 9, replica: 2
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -819.712359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.712359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.712359 (E_RNA)
where:
Base-Base interactions energy: -448.639
where: short stacking energy: -235.878
Base-Backbone interact. energy: 1.672
local terms energy: -372.745987
where:
bonds (distance) C4'-P energy: -113.833
bonds (distance) P-C4' energy: -100.154
flat angles C4'-P-C4' energy: -90.797
flat angles P-C4'-P energy: -50.507
tors. eta vs tors. theta energy: -17.455
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: 6
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -597.960453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.960453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.960453 (E_RNA)
where:
Base-Base interactions energy: -283.418
where: short stacking energy: -166.440
Base-Backbone interact. energy: -0.490
local terms energy: -314.051999
where:
bonds (distance) C4'-P energy: -92.953
bonds (distance) P-C4' energy: -107.679
flat angles C4'-P-C4' energy: -78.009
flat angles P-C4'-P energy: -43.578
tors. eta vs tors. theta energy: 8.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -2187.348190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.348190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.348190 (E_RNA)
where:
Base-Base interactions energy: -1514.482
where: short stacking energy: -642.812
Base-Backbone interact. energy: -2.363
local terms energy: -670.503238
where:
bonds (distance) C4'-P energy: -117.971
bonds (distance) P-C4' energy: -130.540
flat angles C4'-P-C4' energy: -129.115
flat angles P-C4'-P energy: -102.561
tors. eta vs tors. theta energy: -190.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -2037.358847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.358847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.358847 (E_RNA)
where:
Base-Base interactions energy: -1397.279
where: short stacking energy: -592.478
Base-Backbone interact. energy: -2.395
local terms energy: -637.685389
where:
bonds (distance) C4'-P energy: -124.156
bonds (distance) P-C4' energy: -118.030
flat angles C4'-P-C4' energy: -135.620
flat angles P-C4'-P energy: -82.946
tors. eta vs tors. theta energy: -176.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -1928.939711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.939711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.939711 (E_RNA)
where:
Base-Base interactions energy: -1349.350
where: short stacking energy: -547.660
Base-Backbone interact. energy: 1.158
local terms energy: -580.747431
where:
bonds (distance) C4'-P energy: -103.412
bonds (distance) P-C4' energy: -109.785
flat angles C4'-P-C4' energy: -125.291
flat angles P-C4'-P energy: -84.173
tors. eta vs tors. theta energy: -158.087
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: 4, replica: 10
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -1856.543310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.543310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.543310 (E_RNA)
where:
Base-Base interactions energy: -1268.574
where: short stacking energy: -499.771
Base-Backbone interact. energy: -0.580
local terms energy: -587.388337
where:
bonds (distance) C4'-P energy: -115.017
bonds (distance) P-C4' energy: -117.755
flat angles C4'-P-C4' energy: -130.029
flat angles P-C4'-P energy: -69.865
tors. eta vs tors. theta energy: -154.722
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: 9
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -1665.707813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.707813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.707813 (E_RNA)
where:
Base-Base interactions energy: -1136.043
where: short stacking energy: -495.176
Base-Backbone interact. energy: -0.031
local terms energy: -529.634102
where:
bonds (distance) C4'-P energy: -101.220
bonds (distance) P-C4' energy: -98.278
flat angles C4'-P-C4' energy: -108.418
flat angles P-C4'-P energy: -75.824
tors. eta vs tors. theta energy: -145.895
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: 6, replica: 3
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -1345.998723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.998723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.998723 (E_RNA)
where:
Base-Base interactions energy: -881.704
where: short stacking energy: -389.506
Base-Backbone interact. energy: -0.680
local terms energy: -463.614609
where:
bonds (distance) C4'-P energy: -92.542
bonds (distance) P-C4' energy: -104.295
flat angles C4'-P-C4' energy: -107.235
flat angles P-C4'-P energy: -66.830
tors. eta vs tors. theta energy: -92.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -1172.634121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.634121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.634121 (E_RNA)
where:
Base-Base interactions energy: -744.152
where: short stacking energy: -368.796
Base-Backbone interact. energy: 0.212
local terms energy: -428.694246
where:
bonds (distance) C4'-P energy: -88.163
bonds (distance) P-C4' energy: -107.596
flat angles C4'-P-C4' energy: -92.250
flat angles P-C4'-P energy: -60.284
tors. eta vs tors. theta energy: -80.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -960.409987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.409987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.409987 (E_RNA)
where:
Base-Base interactions energy: -549.382
where: short stacking energy: -251.162
Base-Backbone interact. energy: 2.947
local terms energy: -413.974984
where:
bonds (distance) C4'-P energy: -114.435
bonds (distance) P-C4' energy: -88.922
flat angles C4'-P-C4' energy: -119.926
flat angles P-C4'-P energy: -52.336
tors. eta vs tors. theta energy: -38.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -805.824043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.824043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.824043 (E_RNA)
where:
Base-Base interactions energy: -480.113
where: short stacking energy: -247.384
Base-Backbone interact. energy: -1.561
local terms energy: -324.150046
where:
bonds (distance) C4'-P energy: -89.908
bonds (distance) P-C4' energy: -96.104
flat angles C4'-P-C4' energy: -86.953
flat angles P-C4'-P energy: -38.255
tors. eta vs tors. theta energy: -12.930
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: 10, replica: 6
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -642.809924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.809924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.809924 (E_RNA)
where:
Base-Base interactions energy: -296.587
where: short stacking energy: -186.950
Base-Backbone interact. energy: 2.014
local terms energy: -348.236986
where:
bonds (distance) C4'-P energy: -93.629
bonds (distance) P-C4' energy: -109.294
flat angles C4'-P-C4' energy: -81.060
flat angles P-C4'-P energy: -50.000
tors. eta vs tors. theta energy: -14.254
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: 8
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -2170.696534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.696534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.696534 (E_RNA)
where:
Base-Base interactions energy: -1522.569
where: short stacking energy: -632.081
Base-Backbone interact. energy: -0.456
local terms energy: -647.672017
where:
bonds (distance) C4'-P energy: -125.669
bonds (distance) P-C4' energy: -109.259
flat angles C4'-P-C4' energy: -120.355
flat angles P-C4'-P energy: -95.954
tors. eta vs tors. theta energy: -196.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -2046.506710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.506710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.506710 (E_RNA)
where:
Base-Base interactions energy: -1434.269
where: short stacking energy: -582.757
Base-Backbone interact. energy: -2.216
local terms energy: -610.022053
where:
bonds (distance) C4'-P energy: -126.621
bonds (distance) P-C4' energy: -107.165
flat angles C4'-P-C4' energy: -124.248
flat angles P-C4'-P energy: -79.304
tors. eta vs tors. theta energy: -172.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1919.208785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.208785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.208785 (E_RNA)
where:
Base-Base interactions energy: -1323.387
where: short stacking energy: -514.197
Base-Backbone interact. energy: -5.169
local terms energy: -590.652827
where:
bonds (distance) C4'-P energy: -121.365
bonds (distance) P-C4' energy: -117.851
flat angles C4'-P-C4' energy: -128.703
flat angles P-C4'-P energy: -72.938
tors. eta vs tors. theta energy: -149.795
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: 4, replica: 10
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -1871.122228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.122228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.122228 (E_RNA)
where:
Base-Base interactions energy: -1293.019
where: short stacking energy: -516.600
Base-Backbone interact. energy: 2.626
local terms energy: -580.729016
where:
bonds (distance) C4'-P energy: -101.627
bonds (distance) P-C4' energy: -110.279
flat angles C4'-P-C4' energy: -124.553
flat angles P-C4'-P energy: -88.214
tors. eta vs tors. theta energy: -156.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -1637.776046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.776046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.776046 (E_RNA)
where:
Base-Base interactions energy: -1090.570
where: short stacking energy: -480.203
Base-Backbone interact. energy: 1.749
local terms energy: -548.954343
where:
bonds (distance) C4'-P energy: -112.203
bonds (distance) P-C4' energy: -107.574
flat angles C4'-P-C4' energy: -119.553
flat angles P-C4'-P energy: -66.315
tors. eta vs tors. theta energy: -143.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1346.695694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.695694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.695694 (E_RNA)
where:
Base-Base interactions energy: -868.717
where: short stacking energy: -385.549
Base-Backbone interact. energy: -2.662
local terms energy: -475.317231
where:
bonds (distance) C4'-P energy: -103.986
bonds (distance) P-C4' energy: -94.391
flat angles C4'-P-C4' energy: -116.492
flat angles P-C4'-P energy: -73.106
tors. eta vs tors. theta energy: -87.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -1204.061156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.061156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.061156 (E_RNA)
where:
Base-Base interactions energy: -787.237
where: short stacking energy: -350.753
Base-Backbone interact. energy: -2.932
local terms energy: -413.892192
where:
bonds (distance) C4'-P energy: -87.086
bonds (distance) P-C4' energy: -94.492
flat angles C4'-P-C4' energy: -117.761
flat angles P-C4'-P energy: -47.968
tors. eta vs tors. theta energy: -66.585
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: 8, replica: 5
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -935.627351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.627351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.627351 (E_RNA)
where:
Base-Base interactions energy: -557.580
where: short stacking energy: -224.254
Base-Backbone interact. energy: 1.529
local terms energy: -379.576789
where:
bonds (distance) C4'-P energy: -95.707
bonds (distance) P-C4' energy: -112.810
flat angles C4'-P-C4' energy: -84.937
flat angles P-C4'-P energy: -67.579
tors. eta vs tors. theta energy: -18.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -808.140407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.140407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.140407 (E_RNA)
where:
Base-Base interactions energy: -439.222
where: short stacking energy: -223.726
Base-Backbone interact. energy: 3.923
local terms energy: -372.841741
where:
bonds (distance) C4'-P energy: -88.911
bonds (distance) P-C4' energy: -108.186
flat angles C4'-P-C4' energy: -100.836
flat angles P-C4'-P energy: -60.109
tors. eta vs tors. theta energy: -14.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -615.684596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.684596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.684596 (E_RNA)
where:
Base-Base interactions energy: -304.076
where: short stacking energy: -197.076
Base-Backbone interact. energy: 2.979
local terms energy: -314.588323
where:
bonds (distance) C4'-P energy: -69.958
bonds (distance) P-C4' energy: -96.101
flat angles C4'-P-C4' energy: -87.131
flat angles P-C4'-P energy: -58.876
tors. eta vs tors. theta energy: -2.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -2183.685871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.685871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.685871 (E_RNA)
where:
Base-Base interactions energy: -1510.726
where: short stacking energy: -636.821
Base-Backbone interact. energy: -3.507
local terms energy: -669.453033
where:
bonds (distance) C4'-P energy: -111.102
bonds (distance) P-C4' energy: -126.353
flat angles C4'-P-C4' energy: -136.494
flat angles P-C4'-P energy: -98.322
tors. eta vs tors. theta energy: -197.182
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: 2, replica: 7
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -2036.132648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.132648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.132648 (E_RNA)
where:
Base-Base interactions energy: -1401.841
where: short stacking energy: -592.529
Base-Backbone interact. energy: -1.962
local terms energy: -632.329651
where:
bonds (distance) C4'-P energy: -117.101
bonds (distance) P-C4' energy: -130.169
flat angles C4'-P-C4' energy: -129.305
flat angles P-C4'-P energy: -85.332
tors. eta vs tors. theta energy: -170.423
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: 10
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -1915.458438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.458438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.458438 (E_RNA)
where:
Base-Base interactions energy: -1302.855
where: short stacking energy: -570.555
Base-Backbone interact. energy: -0.507
local terms energy: -612.096066
where:
bonds (distance) C4'-P energy: -123.525
bonds (distance) P-C4' energy: -108.826
flat angles C4'-P-C4' energy: -124.777
flat angles P-C4'-P energy: -92.781
tors. eta vs tors. theta energy: -162.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -1865.900842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.900842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.900842 (E_RNA)
where:
Base-Base interactions energy: -1278.705
where: short stacking energy: -523.511
Base-Backbone interact. energy: -3.152
local terms energy: -584.043819
where:
bonds (distance) C4'-P energy: -114.491
bonds (distance) P-C4' energy: -119.980
flat angles C4'-P-C4' energy: -118.380
flat angles P-C4'-P energy: -86.271
tors. eta vs tors. theta energy: -144.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1656.040894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.040894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.040894 (E_RNA)
where:
Base-Base interactions energy: -1096.294
where: short stacking energy: -450.395
Base-Backbone interact. energy: -4.570
local terms energy: -555.176106
where:
bonds (distance) C4'-P energy: -105.535
bonds (distance) P-C4' energy: -118.888
flat angles C4'-P-C4' energy: -122.281
flat angles P-C4'-P energy: -71.178
tors. eta vs tors. theta energy: -137.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -1428.780105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.780105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.780105 (E_RNA)
where:
Base-Base interactions energy: -931.575
where: short stacking energy: -406.379
Base-Backbone interact. energy: -2.029
local terms energy: -495.176117
where:
bonds (distance) C4'-P energy: -103.792
bonds (distance) P-C4' energy: -100.592
flat angles C4'-P-C4' energy: -111.613
flat angles P-C4'-P energy: -72.093
tors. eta vs tors. theta energy: -107.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1254.693340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.693340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.693340 (E_RNA)
where:
Base-Base interactions energy: -801.678
where: short stacking energy: -370.166
Base-Backbone interact. energy: -2.138
local terms energy: -450.876657
where:
bonds (distance) C4'-P energy: -100.079
bonds (distance) P-C4' energy: -110.467
flat angles C4'-P-C4' energy: -103.923
flat angles P-C4'-P energy: -54.662
tors. eta vs tors. theta energy: -81.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -1005.647077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.647077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.647077 (E_RNA)
where:
Base-Base interactions energy: -598.538
where: short stacking energy: -290.739
Base-Backbone interact. energy: 1.520
local terms energy: -408.628993
where:
bonds (distance) C4'-P energy: -99.501
bonds (distance) P-C4' energy: -112.907
flat angles C4'-P-C4' energy: -77.575
flat angles P-C4'-P energy: -56.015
tors. eta vs tors. theta energy: -62.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -768.459451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.459451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.459451 (E_RNA)
where:
Base-Base interactions energy: -415.488
where: short stacking energy: -191.936
Base-Backbone interact. energy: -1.871
local terms energy: -351.100649
where:
bonds (distance) C4'-P energy: -93.748
bonds (distance) P-C4' energy: -85.344
flat angles C4'-P-C4' energy: -107.861
flat angles P-C4'-P energy: -53.324
tors. eta vs tors. theta energy: -10.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -632.177032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.177032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.177032 (E_RNA)
where:
Base-Base interactions energy: -298.685
where: short stacking energy: -181.690
Base-Backbone interact. energy: -0.539
local terms energy: -332.953680
where:
bonds (distance) C4'-P energy: -88.428
bonds (distance) P-C4' energy: -87.815
flat angles C4'-P-C4' energy: -101.291
flat angles P-C4'-P energy: -51.914
tors. eta vs tors. theta energy: -3.506
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: 1, replica: 8
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -2170.573606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.573606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.573606 (E_RNA)
where:
Base-Base interactions energy: -1504.601
where: short stacking energy: -633.361
Base-Backbone interact. energy: -3.562
local terms energy: -662.410566
where:
bonds (distance) C4'-P energy: -118.598
bonds (distance) P-C4' energy: -107.264
flat angles C4'-P-C4' energy: -135.176
flat angles P-C4'-P energy: -93.128
tors. eta vs tors. theta energy: -208.245
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: 403
Temperature: 0.950000
Total energy: -2025.440419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.440419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.440419 (E_RNA)
where:
Base-Base interactions energy: -1415.595
where: short stacking energy: -587.780
Base-Backbone interact. energy: -2.200
local terms energy: -607.645439
where:
bonds (distance) C4'-P energy: -103.717
bonds (distance) P-C4' energy: -114.547
flat angles C4'-P-C4' energy: -138.713
flat angles P-C4'-P energy: -83.777
tors. eta vs tors. theta energy: -166.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -1917.260806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.260806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.260806 (E_RNA)
where:
Base-Base interactions energy: -1315.400
where: short stacking energy: -570.254
Base-Backbone interact. energy: -0.691
local terms energy: -601.169956
where:
bonds (distance) C4'-P energy: -101.291
bonds (distance) P-C4' energy: -119.909
flat angles C4'-P-C4' energy: -124.937
flat angles P-C4'-P energy: -88.485
tors. eta vs tors. theta energy: -166.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -1842.935424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.935424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.935424 (E_RNA)
where:
Base-Base interactions energy: -1283.296
where: short stacking energy: -523.989
Base-Backbone interact. energy: -1.857
local terms energy: -557.782892
where:
bonds (distance) C4'-P energy: -105.765
bonds (distance) P-C4' energy: -106.284
flat angles C4'-P-C4' energy: -129.122
flat angles P-C4'-P energy: -76.799
tors. eta vs tors. theta energy: -139.813
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: 5, replica: 9
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -1752.095232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.095232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.095232 (E_RNA)
where:
Base-Base interactions energy: -1207.772
where: short stacking energy: -501.109
Base-Backbone interact. energy: -2.713
local terms energy: -541.609825
where:
bonds (distance) C4'-P energy: -94.357
bonds (distance) P-C4' energy: -94.723
flat angles C4'-P-C4' energy: -132.300
flat angles P-C4'-P energy: -83.417
tors. eta vs tors. theta energy: -136.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1512.183570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.183570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.183570 (E_RNA)
where:
Base-Base interactions energy: -998.775
where: short stacking energy: -430.657
Base-Backbone interact. energy: -5.873
local terms energy: -507.535717
where:
bonds (distance) C4'-P energy: -93.344
bonds (distance) P-C4' energy: -114.078
flat angles C4'-P-C4' energy: -112.673
flat angles P-C4'-P energy: -77.245
tors. eta vs tors. theta energy: -110.196
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: 1
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -1288.665882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.665882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.665882 (E_RNA)
where:
Base-Base interactions energy: -809.693
where: short stacking energy: -369.674
Base-Backbone interact. energy: 1.183
local terms energy: -480.155884
where:
bonds (distance) C4'-P energy: -96.945
bonds (distance) P-C4' energy: -107.747
flat angles C4'-P-C4' energy: -104.450
flat angles P-C4'-P energy: -79.700
tors. eta vs tors. theta energy: -91.314
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: 8, replica: 5
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -1009.595014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.595014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.595014 (E_RNA)
where:
Base-Base interactions energy: -614.364
where: short stacking energy: -274.745
Base-Backbone interact. energy: -0.091
local terms energy: -395.139858
where:
bonds (distance) C4'-P energy: -102.892
bonds (distance) P-C4' energy: -101.477
flat angles C4'-P-C4' energy: -96.269
flat angles P-C4'-P energy: -58.221
tors. eta vs tors. theta energy: -36.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -766.567114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.567114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.567114 (E_RNA)
where:
Base-Base interactions energy: -442.214
where: short stacking energy: -241.098
Base-Backbone interact. energy: -0.804
local terms energy: -323.548423
where:
bonds (distance) C4'-P energy: -82.621
bonds (distance) P-C4' energy: -86.957
flat angles C4'-P-C4' energy: -95.160
flat angles P-C4'-P energy: -32.473
tors. eta vs tors. theta energy: -26.337
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: 6
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -593.619187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.619187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.619187 (E_RNA)
where:
Base-Base interactions energy: -287.190
where: short stacking energy: -163.260
Base-Backbone interact. energy: 5.247
local terms energy: -311.675611
where:
bonds (distance) C4'-P energy: -82.932
bonds (distance) P-C4' energy: -108.523
flat angles C4'-P-C4' energy: -88.353
flat angles P-C4'-P energy: -45.032
tors. eta vs tors. theta energy: 13.164
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: 1, replica: 8
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -2161.130742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.130742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.130742 (E_RNA)
where:
Base-Base interactions energy: -1509.770
where: short stacking energy: -631.871
Base-Backbone interact. energy: -4.431
local terms energy: -646.930110
where:
bonds (distance) C4'-P energy: -120.444
bonds (distance) P-C4' energy: -107.276
flat angles C4'-P-C4' energy: -134.846
flat angles P-C4'-P energy: -89.282
tors. eta vs tors. theta energy: -195.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -2044.480444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.480444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.480444 (E_RNA)
where:
Base-Base interactions energy: -1434.156
where: short stacking energy: -617.943
Base-Backbone interact. energy: -3.477
local terms energy: -606.847287
where:
bonds (distance) C4'-P energy: -105.317
bonds (distance) P-C4' energy: -111.304
flat angles C4'-P-C4' energy: -136.154
flat angles P-C4'-P energy: -79.835
tors. eta vs tors. theta energy: -174.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -1907.887709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.887709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.887709 (E_RNA)
where:
Base-Base interactions energy: -1280.985
where: short stacking energy: -547.109
Base-Backbone interact. energy: -2.080
local terms energy: -624.822346
where:
bonds (distance) C4'-P energy: -121.530
bonds (distance) P-C4' energy: -116.096
flat angles C4'-P-C4' energy: -135.080
flat angles P-C4'-P energy: -76.748
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: 4
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -1836.403706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.403706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.403706 (E_RNA)
where:
Base-Base interactions energy: -1263.525
where: short stacking energy: -518.942
Base-Backbone interact. energy: -0.323
local terms energy: -572.555608
where:
bonds (distance) C4'-P energy: -105.695
bonds (distance) P-C4' energy: -110.409
flat angles C4'-P-C4' energy: -122.717
flat angles P-C4'-P energy: -86.245
tors. eta vs tors. theta energy: -147.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -1693.510732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.510732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.510732 (E_RNA)
where:
Base-Base interactions energy: -1135.110
where: short stacking energy: -476.819
Base-Backbone interact. energy: -2.410
local terms energy: -555.990228
where:
bonds (distance) C4'-P energy: -104.819
bonds (distance) P-C4' energy: -115.113
flat angles C4'-P-C4' energy: -123.767
flat angles P-C4'-P energy: -79.247
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: 6, replica: 3
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -1471.664201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.664201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.664201 (E_RNA)
where:
Base-Base interactions energy: -945.345
where: short stacking energy: -407.098
Base-Backbone interact. energy: 1.886
local terms energy: -528.205589
where:
bonds (distance) C4'-P energy: -113.344
bonds (distance) P-C4' energy: -105.296
flat angles C4'-P-C4' energy: -126.393
flat angles P-C4'-P energy: -66.684
tors. eta vs tors. theta energy: -116.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1223.589126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.589126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.589126 (E_RNA)
where:
Base-Base interactions energy: -798.553
where: short stacking energy: -356.579
Base-Backbone interact. energy: -1.012
local terms energy: -424.023897
where:
bonds (distance) C4'-P energy: -91.483
bonds (distance) P-C4' energy: -101.525
flat angles C4'-P-C4' energy: -81.395
flat angles P-C4'-P energy: -67.666
tors. eta vs tors. theta energy: -81.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -947.374518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.374518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.374518 (E_RNA)
where:
Base-Base interactions energy: -565.679
where: short stacking energy: -262.678
Base-Backbone interact. energy: 2.411
local terms energy: -384.107044
where:
bonds (distance) C4'-P energy: -103.225
bonds (distance) P-C4' energy: -95.075
flat angles C4'-P-C4' energy: -91.893
flat angles P-C4'-P energy: -56.071
tors. eta vs tors. theta energy: -37.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -751.546005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.546005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.546005 (E_RNA)
where:
Base-Base interactions energy: -390.475
where: short stacking energy: -213.857
Base-Backbone interact. energy: 1.016
local terms energy: -362.087296
where:
bonds (distance) C4'-P energy: -99.423
bonds (distance) P-C4' energy: -106.323
flat angles C4'-P-C4' energy: -96.649
flat angles P-C4'-P energy: -41.190
tors. eta vs tors. theta energy: -18.502
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: 10, replica: 6
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -617.582635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.582635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.582635 (E_RNA)
where:
Base-Base interactions energy: -296.968
where: short stacking energy: -156.172
Base-Backbone interact. energy: 3.917
local terms energy: -324.532070
where:
bonds (distance) C4'-P energy: -97.822
bonds (distance) P-C4' energy: -106.475
flat angles C4'-P-C4' energy: -79.875
flat angles P-C4'-P energy: -45.708
tors. eta vs tors. theta energy: 5.348
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: 8
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -2177.759562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.759562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.759562 (E_RNA)
where:
Base-Base interactions energy: -1489.703
where: short stacking energy: -616.132
Base-Backbone interact. energy: -4.672
local terms energy: -683.384498
where:
bonds (distance) C4'-P energy: -130.672
bonds (distance) P-C4' energy: -127.752
flat angles C4'-P-C4' energy: -136.135
flat angles P-C4'-P energy: -94.053
tors. eta vs tors. theta energy: -194.772
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: 405
Temperature: 0.950000
Total energy: -2050.755163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.755163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.755163 (E_RNA)
where:
Base-Base interactions energy: -1427.080
where: short stacking energy: -604.780
Base-Backbone interact. energy: -2.985
local terms energy: -620.690393
where:
bonds (distance) C4'-P energy: -114.155
bonds (distance) P-C4' energy: -113.636
flat angles C4'-P-C4' energy: -128.453
flat angles P-C4'-P energy: -82.320
tors. eta vs tors. theta energy: -182.126
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: 3, replica: 10
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -1923.700050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.700050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.700050 (E_RNA)
where:
Base-Base interactions energy: -1325.207
where: short stacking energy: -590.091
Base-Backbone interact. energy: -2.980
local terms energy: -595.513253
where:
bonds (distance) C4'-P energy: -108.310
bonds (distance) P-C4' energy: -104.501
flat angles C4'-P-C4' energy: -132.716
flat angles P-C4'-P energy: -80.891
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -1829.308524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.308524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.308524 (E_RNA)
where:
Base-Base interactions energy: -1278.820
where: short stacking energy: -520.438
Base-Backbone interact. energy: 1.620
local terms energy: -552.108058
where:
bonds (distance) C4'-P energy: -96.540
bonds (distance) P-C4' energy: -109.463
flat angles C4'-P-C4' energy: -117.067
flat angles P-C4'-P energy: -82.441
tors. eta vs tors. theta energy: -146.598
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: 9
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -1710.496810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.496810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.496810 (E_RNA)
where:
Base-Base interactions energy: -1158.154
where: short stacking energy: -514.476
Base-Backbone interact. energy: 0.079
local terms energy: -552.421475
where:
bonds (distance) C4'-P energy: -97.274
bonds (distance) P-C4' energy: -107.824
flat angles C4'-P-C4' energy: -114.255
flat angles P-C4'-P energy: -80.037
tors. eta vs tors. theta energy: -153.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1454.769312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.769312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.769312 (E_RNA)
where:
Base-Base interactions energy: -971.693
where: short stacking energy: -416.160
Base-Backbone interact. energy: 0.602
local terms energy: -483.677664
where:
bonds (distance) C4'-P energy: -100.316
bonds (distance) P-C4' energy: -104.679
flat angles C4'-P-C4' energy: -94.924
flat angles P-C4'-P energy: -84.307
tors. eta vs tors. theta energy: -99.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -1215.601426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.601426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.601426 (E_RNA)
where:
Base-Base interactions energy: -747.561
where: short stacking energy: -354.317
Base-Backbone interact. energy: -2.023
local terms energy: -466.017445
where:
bonds (distance) C4'-P energy: -100.600
bonds (distance) P-C4' energy: -105.895
flat angles C4'-P-C4' energy: -111.414
flat angles P-C4'-P energy: -64.509
tors. eta vs tors. theta energy: -83.599
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: 405
Temperature: 1.250000
Total energy: -954.391219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.391219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.391219 (E_RNA)
where:
Base-Base interactions energy: -553.948
where: short stacking energy: -285.432
Base-Backbone interact. energy: -0.237
local terms energy: -400.206227
where:
bonds (distance) C4'-P energy: -90.714
bonds (distance) P-C4' energy: -117.020
flat angles C4'-P-C4' energy: -92.127
flat angles P-C4'-P energy: -48.539
tors. eta vs tors. theta energy: -51.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -797.462279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.462279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.462279 (E_RNA)
where:
Base-Base interactions energy: -434.703
where: short stacking energy: -211.917
Base-Backbone interact. energy: 2.830
local terms energy: -365.589742
where:
bonds (distance) C4'-P energy: -104.712
bonds (distance) P-C4' energy: -94.617
flat angles C4'-P-C4' energy: -84.128
flat angles P-C4'-P energy: -59.394
tors. eta vs tors. theta energy: -22.739
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: 6
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -597.179176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.179176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.179176 (E_RNA)
where:
Base-Base interactions energy: -290.351
where: short stacking energy: -161.228
Base-Backbone interact. energy: 8.014
local terms energy: -314.842260
where:
bonds (distance) C4'-P energy: -98.934
bonds (distance) P-C4' energy: -108.909
flat angles C4'-P-C4' energy: -69.455
flat angles P-C4'-P energy: -49.878
tors. eta vs tors. theta energy: 12.334
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: 1, replica: 8
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -2174.746251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.746251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.746251 (E_RNA)
where:
Base-Base interactions energy: -1507.631
where: short stacking energy: -641.199
Base-Backbone interact. energy: -2.034
local terms energy: -665.080745
where:
bonds (distance) C4'-P energy: -110.690
bonds (distance) P-C4' energy: -124.424
flat angles C4'-P-C4' energy: -138.759
flat angles P-C4'-P energy: -88.303
tors. eta vs tors. theta energy: -202.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -2028.565853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.565853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.565853 (E_RNA)
where:
Base-Base interactions energy: -1407.154
where: short stacking energy: -598.621
Base-Backbone interact. energy: -2.526
local terms energy: -618.885527
where:
bonds (distance) C4'-P energy: -109.026
bonds (distance) P-C4' energy: -105.735
flat angles C4'-P-C4' energy: -133.839
flat angles P-C4'-P energy: -88.975
tors. eta vs tors. theta energy: -181.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -1934.175319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.175319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.175319 (E_RNA)
where:
Base-Base interactions energy: -1319.580
where: short stacking energy: -560.820
Base-Backbone interact. energy: -2.273
local terms energy: -612.322433
where:
bonds (distance) C4'-P energy: -105.275
bonds (distance) P-C4' energy: -115.969
flat angles C4'-P-C4' energy: -131.102
flat angles P-C4'-P energy: -86.908
tors. eta vs tors. theta energy: -173.068
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: 4
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -1855.714289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.714289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.714289 (E_RNA)
where:
Base-Base interactions energy: -1300.599
where: short stacking energy: -511.115
Base-Backbone interact. energy: 2.773
local terms energy: -557.888508
where:
bonds (distance) C4'-P energy: -102.410
bonds (distance) P-C4' energy: -102.383
flat angles C4'-P-C4' energy: -116.097
flat angles P-C4'-P energy: -77.429
tors. eta vs tors. theta energy: -159.570
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: 9
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -1725.653153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.653153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.653153 (E_RNA)
where:
Base-Base interactions energy: -1173.185
where: short stacking energy: -474.118
Base-Backbone interact. energy: 2.248
local terms energy: -554.716067
where:
bonds (distance) C4'-P energy: -117.069
bonds (distance) P-C4' energy: -88.369
flat angles C4'-P-C4' energy: -129.097
flat angles P-C4'-P energy: -86.753
tors. eta vs tors. theta energy: -133.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -1410.476727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.476727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.476727 (E_RNA)
where:
Base-Base interactions energy: -959.549
where: short stacking energy: -402.585
Base-Backbone interact. energy: 2.199
local terms energy: -453.126683
where:
bonds (distance) C4'-P energy: -90.219
bonds (distance) P-C4' energy: -103.782
flat angles C4'-P-C4' energy: -103.377
flat angles P-C4'-P energy: -59.651
tors. eta vs tors. theta energy: -96.098
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: 1
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -1261.839445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.839445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.839445 (E_RNA)
where:
Base-Base interactions energy: -788.952
where: short stacking energy: -370.878
Base-Backbone interact. energy: -1.405
local terms energy: -471.482922
where:
bonds (distance) C4'-P energy: -111.211
bonds (distance) P-C4' energy: -90.885
flat angles C4'-P-C4' energy: -100.856
flat angles P-C4'-P energy: -61.120
tors. eta vs tors. theta energy: -107.411
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: 5
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -934.087304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.087304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.087304 (E_RNA)
where:
Base-Base interactions energy: -542.503
where: short stacking energy: -269.703
Base-Backbone interact. energy: -0.067
local terms energy: -391.517830
where:
bonds (distance) C4'-P energy: -99.700
bonds (distance) P-C4' energy: -103.216
flat angles C4'-P-C4' energy: -101.546
flat angles P-C4'-P energy: -43.618
tors. eta vs tors. theta energy: -43.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -808.899447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.899447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.899447 (E_RNA)
where:
Base-Base interactions energy: -455.648
where: short stacking energy: -255.167
Base-Backbone interact. energy: 2.946
local terms energy: -356.197823
where:
bonds (distance) C4'-P energy: -86.614
bonds (distance) P-C4' energy: -100.231
flat angles C4'-P-C4' energy: -96.767
flat angles P-C4'-P energy: -40.211
tors. eta vs tors. theta energy: -32.374
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: 10, replica: 6
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -616.201234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.201234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.201234 (E_RNA)
where:
Base-Base interactions energy: -288.224
where: short stacking energy: -161.671
Base-Backbone interact. energy: 3.671
local terms energy: -331.648495
where:
bonds (distance) C4'-P energy: -75.364
bonds (distance) P-C4' energy: -113.997
flat angles C4'-P-C4' energy: -98.386
flat angles P-C4'-P energy: -36.430
tors. eta vs tors. theta energy: -7.472
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: 1, replica: 8
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -2190.882052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.882052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.882052 (E_RNA)
where:
Base-Base interactions energy: -1534.939
where: short stacking energy: -637.926
Base-Backbone interact. energy: -2.493
local terms energy: -653.449522
where:
bonds (distance) C4'-P energy: -116.138
bonds (distance) P-C4' energy: -111.317
flat angles C4'-P-C4' energy: -137.632
flat angles P-C4'-P energy: -88.910
tors. eta vs tors. theta energy: -199.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -2056.162126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.162126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.162126 (E_RNA)
where:
Base-Base interactions energy: -1426.288
where: short stacking energy: -627.226
Base-Backbone interact. energy: -3.986
local terms energy: -625.888801
where:
bonds (distance) C4'-P energy: -125.051
bonds (distance) P-C4' energy: -108.156
flat angles C4'-P-C4' energy: -128.631
flat angles P-C4'-P energy: -79.251
tors. eta vs tors. theta energy: -184.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -1917.686474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.686474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.686474 (E_RNA)
where:
Base-Base interactions energy: -1319.135
where: short stacking energy: -563.861
Base-Backbone interact. energy: -2.145
local terms energy: -596.407139
where:
bonds (distance) C4'-P energy: -109.973
bonds (distance) P-C4' energy: -119.179
flat angles C4'-P-C4' energy: -115.641
flat angles P-C4'-P energy: -81.887
tors. eta vs tors. theta energy: -169.728
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: 4
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -1896.501262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.501262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.501262 (E_RNA)
where:
Base-Base interactions energy: -1356.912
where: short stacking energy: -547.898
Base-Backbone interact. energy: -0.380
local terms energy: -539.209218
where:
bonds (distance) C4'-P energy: -106.461
bonds (distance) P-C4' energy: -86.607
flat angles C4'-P-C4' energy: -116.286
flat angles P-C4'-P energy: -74.295
tors. eta vs tors. theta energy: -155.560
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: 9
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -1731.599746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.599746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.599746 (E_RNA)
where:
Base-Base interactions energy: -1194.030
where: short stacking energy: -502.862
Base-Backbone interact. energy: -3.193
local terms energy: -534.376751
where:
bonds (distance) C4'-P energy: -96.758
bonds (distance) P-C4' energy: -91.257
flat angles C4'-P-C4' energy: -115.634
flat angles P-C4'-P energy: -84.411
tors. eta vs tors. theta energy: -146.316
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: 3
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -1448.543428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.543428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.543428 (E_RNA)
where:
Base-Base interactions energy: -956.938
where: short stacking energy: -399.746
Base-Backbone interact. energy: -0.607
local terms energy: -490.997850
where:
bonds (distance) C4'-P energy: -100.322
bonds (distance) P-C4' energy: -105.435
flat angles C4'-P-C4' energy: -114.680
flat angles P-C4'-P energy: -65.655
tors. eta vs tors. theta energy: -104.906
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: 1
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -1209.367584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.367584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.367584 (E_RNA)
where:
Base-Base interactions energy: -748.756
where: short stacking energy: -367.012
Base-Backbone interact. energy: -2.379
local terms energy: -458.232211
where:
bonds (distance) C4'-P energy: -96.118
bonds (distance) P-C4' energy: -97.350
flat angles C4'-P-C4' energy: -103.114
flat angles P-C4'-P energy: -67.939
tors. eta vs tors. theta energy: -93.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -937.252190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.252190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.252190 (E_RNA)
where:
Base-Base interactions energy: -554.928
where: short stacking energy: -259.488
Base-Backbone interact. energy: -3.331
local terms energy: -378.993407
where:
bonds (distance) C4'-P energy: -94.351
bonds (distance) P-C4' energy: -115.649
flat angles C4'-P-C4' energy: -92.277
flat angles P-C4'-P energy: -49.467
tors. eta vs tors. theta energy: -27.249
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: 2
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -870.104107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.104107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.104107 (E_RNA)
where:
Base-Base interactions energy: -517.351
where: short stacking energy: -241.228
Base-Backbone interact. energy: 0.389
local terms energy: -353.141426
where:
bonds (distance) C4'-P energy: -87.284
bonds (distance) P-C4' energy: -99.612
flat angles C4'-P-C4' energy: -103.207
flat angles P-C4'-P energy: -49.287
tors. eta vs tors. theta energy: -13.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -627.345860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.345860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.345860 (E_RNA)
where:
Base-Base interactions energy: -297.194
where: short stacking energy: -171.649
Base-Backbone interact. energy: 5.296
local terms energy: -335.447134
where:
bonds (distance) C4'-P energy: -107.673
bonds (distance) P-C4' energy: -105.834
flat angles C4'-P-C4' energy: -81.206
flat angles P-C4'-P energy: -43.912
tors. eta vs tors. theta energy: 3.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -2176.452101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.452101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.452101 (E_RNA)
where:
Base-Base interactions energy: -1516.948
where: short stacking energy: -628.050
Base-Backbone interact. energy: -3.406
local terms energy: -656.098577
where:
bonds (distance) C4'-P energy: -117.438
bonds (distance) P-C4' energy: -111.785
flat angles C4'-P-C4' energy: -136.730
flat angles P-C4'-P energy: -93.616
tors. eta vs tors. theta energy: -196.530
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: 2, replica: 7
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -2038.705523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.705523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.705523 (E_RNA)
where:
Base-Base interactions energy: -1402.338
where: short stacking energy: -575.367
Base-Backbone interact. energy: -3.528
local terms energy: -632.839523
where:
bonds (distance) C4'-P energy: -107.231
bonds (distance) P-C4' energy: -122.176
flat angles C4'-P-C4' energy: -128.818
flat angles P-C4'-P energy: -98.680
tors. eta vs tors. theta energy: -175.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -1914.692194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.692194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.692194 (E_RNA)
where:
Base-Base interactions energy: -1309.919
where: short stacking energy: -562.893
Base-Backbone interact. energy: -3.891
local terms energy: -600.882078
where:
bonds (distance) C4'-P energy: -99.116
bonds (distance) P-C4' energy: -130.617
flat angles C4'-P-C4' energy: -133.911
flat angles P-C4'-P energy: -78.402
tors. eta vs tors. theta energy: -158.836
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: 408
Temperature: 1.050000
Total energy: -1903.168723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.168723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.168723 (E_RNA)
where:
Base-Base interactions energy: -1348.152
where: short stacking energy: -528.103
Base-Backbone interact. energy: -0.177
local terms energy: -554.839791
where:
bonds (distance) C4'-P energy: -88.604
bonds (distance) P-C4' energy: -115.801
flat angles C4'-P-C4' energy: -123.961
flat angles P-C4'-P energy: -70.686
tors. eta vs tors. theta energy: -155.788
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: 9
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -1718.904985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.904985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.904985 (E_RNA)
where:
Base-Base interactions energy: -1169.094
where: short stacking energy: -497.034
Base-Backbone interact. energy: -0.681
local terms energy: -549.129668
where:
bonds (distance) C4'-P energy: -98.658
bonds (distance) P-C4' energy: -119.010
flat angles C4'-P-C4' energy: -117.572
flat angles P-C4'-P energy: -75.081
tors. eta vs tors. theta energy: -138.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -1436.366860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.366860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.366860 (E_RNA)
where:
Base-Base interactions energy: -938.167
where: short stacking energy: -427.898
Base-Backbone interact. energy: -0.853
local terms energy: -497.346958
where:
bonds (distance) C4'-P energy: -118.024
bonds (distance) P-C4' energy: -105.389
flat angles C4'-P-C4' energy: -96.715
flat angles P-C4'-P energy: -59.484
tors. eta vs tors. theta energy: -117.735
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: 1
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -1243.760097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.760097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.760097 (E_RNA)
where:
Base-Base interactions energy: -807.561
where: short stacking energy: -349.786
Base-Backbone interact. energy: 2.692
local terms energy: -438.891038
where:
bonds (distance) C4'-P energy: -90.597
bonds (distance) P-C4' energy: -104.223
flat angles C4'-P-C4' energy: -110.864
flat angles P-C4'-P energy: -67.105
tors. eta vs tors. theta energy: -66.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -920.361055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.361055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.361055 (E_RNA)
where:
Base-Base interactions energy: -529.810
where: short stacking energy: -273.199
Base-Backbone interact. energy: 5.226
local terms energy: -395.776888
where:
bonds (distance) C4'-P energy: -94.188
bonds (distance) P-C4' energy: -111.090
flat angles C4'-P-C4' energy: -100.550
flat angles P-C4'-P energy: -40.650
tors. eta vs tors. theta energy: -49.298
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: 2
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -825.799661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.799661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.799661 (E_RNA)
where:
Base-Base interactions energy: -463.455
where: short stacking energy: -233.330
Base-Backbone interact. energy: 3.698
local terms energy: -366.042606
where:
bonds (distance) C4'-P energy: -85.995
bonds (distance) P-C4' energy: -88.099
flat angles C4'-P-C4' energy: -112.501
flat angles P-C4'-P energy: -52.337
tors. eta vs tors. theta energy: -27.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -622.567518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.567518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.567518 (E_RNA)
where:
Base-Base interactions energy: -311.996
where: short stacking energy: -168.893
Base-Backbone interact. energy: 0.235
local terms energy: -310.805965
where:
bonds (distance) C4'-P energy: -70.022
bonds (distance) P-C4' energy: -108.821
flat angles C4'-P-C4' energy: -87.299
flat angles P-C4'-P energy: -46.143
tors. eta vs tors. theta energy: 1.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -2164.219206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.219206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.219206 (E_RNA)
where:
Base-Base interactions energy: -1508.617
where: short stacking energy: -642.901
Base-Backbone interact. energy: -2.598
local terms energy: -653.004078
where:
bonds (distance) C4'-P energy: -110.701
bonds (distance) P-C4' energy: -122.623
flat angles C4'-P-C4' energy: -137.306
flat angles P-C4'-P energy: -84.014
tors. eta vs tors. theta energy: -198.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -2068.218122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.218122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.218122 (E_RNA)
where:
Base-Base interactions energy: -1437.527
where: short stacking energy: -604.014
Base-Backbone interact. energy: -1.124
local terms energy: -629.567512
where:
bonds (distance) C4'-P energy: -120.727
bonds (distance) P-C4' energy: -113.687
flat angles C4'-P-C4' energy: -138.066
flat angles P-C4'-P energy: -84.299
tors. eta vs tors. theta energy: -172.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -1923.109119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.109119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.109119 (E_RNA)
where:
Base-Base interactions energy: -1295.404
where: short stacking energy: -562.522
Base-Backbone interact. energy: -1.207
local terms energy: -626.497383
where:
bonds (distance) C4'-P energy: -114.069
bonds (distance) P-C4' energy: -107.408
flat angles C4'-P-C4' energy: -144.082
flat angles P-C4'-P energy: -85.932
tors. eta vs tors. theta energy: -175.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -1906.378759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.378759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.378759 (E_RNA)
where:
Base-Base interactions energy: -1353.032
where: short stacking energy: -541.796
Base-Backbone interact. energy: -2.020
local terms energy: -551.327229
where:
bonds (distance) C4'-P energy: -115.219
bonds (distance) P-C4' energy: -112.591
flat angles C4'-P-C4' energy: -99.854
flat angles P-C4'-P energy: -70.714
tors. eta vs tors. theta energy: -152.950
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: 9
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -1724.077610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.077610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.077610 (E_RNA)
where:
Base-Base interactions energy: -1174.385
where: short stacking energy: -469.772
Base-Backbone interact. energy: -1.945
local terms energy: -547.747349
where:
bonds (distance) C4'-P energy: -99.312
bonds (distance) P-C4' energy: -103.734
flat angles C4'-P-C4' energy: -124.770
flat angles P-C4'-P energy: -72.426
tors. eta vs tors. theta energy: -147.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -1419.878718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.878718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.878718 (E_RNA)
where:
Base-Base interactions energy: -924.842
where: short stacking energy: -387.188
Base-Backbone interact. energy: 2.749
local terms energy: -497.785390
where:
bonds (distance) C4'-P energy: -106.504
bonds (distance) P-C4' energy: -105.559
flat angles C4'-P-C4' energy: -116.670
flat angles P-C4'-P energy: -78.708
tors. eta vs tors. theta energy: -90.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -1238.461189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.461189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.461189 (E_RNA)
where:
Base-Base interactions energy: -781.468
where: short stacking energy: -343.220
Base-Backbone interact. energy: 6.213
local terms energy: -463.205876
where:
bonds (distance) C4'-P energy: -92.335
bonds (distance) P-C4' energy: -100.206
flat angles C4'-P-C4' energy: -108.146
flat angles P-C4'-P energy: -75.426
tors. eta vs tors. theta energy: -87.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -896.282145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.282145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.282145 (E_RNA)
where:
Base-Base interactions energy: -514.187
where: short stacking energy: -250.769
Base-Backbone interact. energy: -1.963
local terms energy: -380.131602
where:
bonds (distance) C4'-P energy: -87.342
bonds (distance) P-C4' energy: -102.324
flat angles C4'-P-C4' energy: -97.822
flat angles P-C4'-P energy: -66.996
tors. eta vs tors. theta energy: -25.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -814.013131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.013131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.013131 (E_RNA)
where:
Base-Base interactions energy: -460.845
where: short stacking energy: -237.938
Base-Backbone interact. energy: 2.755
local terms energy: -355.923144
where:
bonds (distance) C4'-P energy: -86.040
bonds (distance) P-C4' energy: -102.399
flat angles C4'-P-C4' energy: -77.409
flat angles P-C4'-P energy: -53.487
tors. eta vs tors. theta energy: -36.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -609.550730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.550730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.550730 (E_RNA)
where:
Base-Base interactions energy: -290.933
where: short stacking energy: -167.365
Base-Backbone interact. energy: -0.217
local terms energy: -318.400794
where:
bonds (distance) C4'-P energy: -89.467
bonds (distance) P-C4' energy: -103.697
flat angles C4'-P-C4' energy: -69.261
flat angles P-C4'-P energy: -46.758
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: 8
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -2162.314107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.314107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.314107 (E_RNA)
where:
Base-Base interactions energy: -1485.622
where: short stacking energy: -657.357
Base-Backbone interact. energy: -0.328
local terms energy: -676.364706
where:
bonds (distance) C4'-P energy: -115.716
bonds (distance) P-C4' energy: -128.992
flat angles C4'-P-C4' energy: -137.630
flat angles P-C4'-P energy: -85.883
tors. eta vs tors. theta energy: -208.144
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: 2, replica: 7
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -2048.218865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.218865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.218865 (E_RNA)
where:
Base-Base interactions energy: -1428.634
where: short stacking energy: -580.323
Base-Backbone interact. energy: -2.568
local terms energy: -617.017257
where:
bonds (distance) C4'-P energy: -124.362
bonds (distance) P-C4' energy: -118.920
flat angles C4'-P-C4' energy: -119.191
flat angles P-C4'-P energy: -85.859
tors. eta vs tors. theta energy: -168.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -1957.084652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.084652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.084652 (E_RNA)
where:
Base-Base interactions energy: -1328.570
where: short stacking energy: -576.614
Base-Backbone interact. energy: -0.383
local terms energy: -628.131922
where:
bonds (distance) C4'-P energy: -116.447
bonds (distance) P-C4' energy: -115.072
flat angles C4'-P-C4' energy: -136.690
flat angles P-C4'-P energy: -88.899
tors. eta vs tors. theta energy: -171.024
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: 410
Temperature: 1.050000
Total energy: -1922.123937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.123937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.123937 (E_RNA)
where:
Base-Base interactions energy: -1339.479
where: short stacking energy: -537.179
Base-Backbone interact. energy: -0.061
local terms energy: -582.584552
where:
bonds (distance) C4'-P energy: -106.725
bonds (distance) P-C4' energy: -115.179
flat angles C4'-P-C4' energy: -120.361
flat angles P-C4'-P energy: -75.191
tors. eta vs tors. theta energy: -165.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -1705.661162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.661162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.661162 (E_RNA)
where:
Base-Base interactions energy: -1161.561
where: short stacking energy: -493.245
Base-Backbone interact. energy: -0.080
local terms energy: -544.019829
where:
bonds (distance) C4'-P energy: -104.363
bonds (distance) P-C4' energy: -96.687
flat angles C4'-P-C4' energy: -119.373
flat angles P-C4'-P energy: -86.868
tors. eta vs tors. theta energy: -136.730
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: 3
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -1425.450570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.450570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.450570 (E_RNA)
where:
Base-Base interactions energy: -916.401
where: short stacking energy: -384.650
Base-Backbone interact. energy: -1.400
local terms energy: -507.649523
where:
bonds (distance) C4'-P energy: -116.263
bonds (distance) P-C4' energy: -95.700
flat angles C4'-P-C4' energy: -129.267
flat angles P-C4'-P energy: -77.157
tors. eta vs tors. theta energy: -89.262
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: 410
Temperature: 1.200000
Total energy: -1245.892859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.892859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.892859 (E_RNA)
where:
Base-Base interactions energy: -817.363
where: short stacking energy: -369.968
Base-Backbone interact. energy: -0.398
local terms energy: -428.131697
where:
bonds (distance) C4'-P energy: -90.078
bonds (distance) P-C4' energy: -109.745
flat angles C4'-P-C4' energy: -90.878
flat angles P-C4'-P energy: -55.314
tors. eta vs tors. theta energy: -82.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -868.991000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.991000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.991000 (E_RNA)
where:
Base-Base interactions energy: -532.462
where: short stacking energy: -263.160
Base-Backbone interact. energy: 2.500
local terms energy: -339.028633
where:
bonds (distance) C4'-P energy: -81.652
bonds (distance) P-C4' energy: -83.018
flat angles C4'-P-C4' energy: -83.685
flat angles P-C4'-P energy: -63.928
tors. eta vs tors. theta energy: -26.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -818.402293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.402293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.402293 (E_RNA)
where:
Base-Base interactions energy: -491.017
where: short stacking energy: -243.627
Base-Backbone interact. energy: -1.074
local terms energy: -326.311471
where:
bonds (distance) C4'-P energy: -85.308
bonds (distance) P-C4' energy: -99.291
flat angles C4'-P-C4' energy: -63.633
flat angles P-C4'-P energy: -47.453
tors. eta vs tors. theta energy: -30.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -583.827701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.827701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.827701 (E_RNA)
where:
Base-Base interactions energy: -275.248
where: short stacking energy: -166.639
Base-Backbone interact. energy: -2.952
local terms energy: -305.627598
where:
bonds (distance) C4'-P energy: -99.475
bonds (distance) P-C4' energy: -86.120
flat angles C4'-P-C4' energy: -66.031
flat angles P-C4'-P energy: -52.948
tors. eta vs tors. theta energy: -1.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -2173.341448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.341448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.341448 (E_RNA)
where:
Base-Base interactions energy: -1503.417
where: short stacking energy: -633.737
Base-Backbone interact. energy: -2.545
local terms energy: -667.379528
where:
bonds (distance) C4'-P energy: -116.971
bonds (distance) P-C4' energy: -120.478
flat angles C4'-P-C4' energy: -139.972
flat angles P-C4'-P energy: -87.219
tors. eta vs tors. theta energy: -202.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -2052.173987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.173987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.173987 (E_RNA)
where:
Base-Base interactions energy: -1437.261
where: short stacking energy: -592.544
Base-Backbone interact. energy: 1.776
local terms energy: -616.688683
where:
bonds (distance) C4'-P energy: -115.962
bonds (distance) P-C4' energy: -108.550
flat angles C4'-P-C4' energy: -134.122
flat angles P-C4'-P energy: -84.582
tors. eta vs tors. theta energy: -173.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1912.227896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.227896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.227896 (E_RNA)
where:
Base-Base interactions energy: -1309.226
where: short stacking energy: -570.431
Base-Backbone interact. energy: 3.055
local terms energy: -606.056764
where:
bonds (distance) C4'-P energy: -106.243
bonds (distance) P-C4' energy: -120.160
flat angles C4'-P-C4' energy: -122.317
flat angles P-C4'-P energy: -86.639
tors. eta vs tors. theta energy: -170.697
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: 4
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -1952.121873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.121873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.121873 (E_RNA)
where:
Base-Base interactions energy: -1356.909
where: short stacking energy: -548.307
Base-Backbone interact. energy: -3.631
local terms energy: -591.581526
where:
bonds (distance) C4'-P energy: -104.528
bonds (distance) P-C4' energy: -116.251
flat angles C4'-P-C4' energy: -132.811
flat angles P-C4'-P energy: -74.375
tors. eta vs tors. theta energy: -163.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -1698.560111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.560111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.560111 (E_RNA)
where:
Base-Base interactions energy: -1168.480
where: short stacking energy: -498.390
Base-Backbone interact. energy: -0.651
local terms energy: -529.429080
where:
bonds (distance) C4'-P energy: -89.773
bonds (distance) P-C4' energy: -111.617
flat angles C4'-P-C4' energy: -112.145
flat angles P-C4'-P energy: -69.245
tors. eta vs tors. theta energy: -146.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -1491.864060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.864060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.864060 (E_RNA)
where:
Base-Base interactions energy: -1001.471
where: short stacking energy: -445.975
Base-Backbone interact. energy: -2.274
local terms energy: -488.119773
where:
bonds (distance) C4'-P energy: -90.762
bonds (distance) P-C4' energy: -100.421
flat angles C4'-P-C4' energy: -112.031
flat angles P-C4'-P energy: -61.293
tors. eta vs tors. theta energy: -123.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -1215.430219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.430219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.430219 (E_RNA)
where:
Base-Base interactions energy: -753.824
where: short stacking energy: -350.691
Base-Backbone interact. energy: -0.063
local terms energy: -461.543746
where:
bonds (distance) C4'-P energy: -87.715
bonds (distance) P-C4' energy: -102.622
flat angles C4'-P-C4' energy: -107.296
flat angles P-C4'-P energy: -76.883
tors. eta vs tors. theta energy: -87.027
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: 2
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -944.221295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.221295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.221295 (E_RNA)
where:
Base-Base interactions energy: -549.141
where: short stacking energy: -298.352
Base-Backbone interact. energy: -1.156
local terms energy: -393.924804
where:
bonds (distance) C4'-P energy: -81.453
bonds (distance) P-C4' energy: -99.985
flat angles C4'-P-C4' energy: -93.591
flat angles P-C4'-P energy: -58.680
tors. eta vs tors. theta energy: -60.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -796.051534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.051534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.051534 (E_RNA)
where:
Base-Base interactions energy: -399.001
where: short stacking energy: -181.205
Base-Backbone interact. energy: 1.451
local terms energy: -398.501628
where:
bonds (distance) C4'-P energy: -99.838
bonds (distance) P-C4' energy: -113.932
flat angles C4'-P-C4' energy: -102.359
flat angles P-C4'-P energy: -60.030
tors. eta vs tors. theta energy: -22.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -652.384715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.384715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.384715 (E_RNA)
where:
Base-Base interactions energy: -342.935
where: short stacking energy: -192.482
Base-Backbone interact. energy: 3.259
local terms energy: -312.709043
where:
bonds (distance) C4'-P energy: -90.744
bonds (distance) P-C4' energy: -81.187
flat angles C4'-P-C4' energy: -97.034
flat angles P-C4'-P energy: -38.393
tors. eta vs tors. theta energy: -5.351
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: 1, replica: 8
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -2193.390385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.390385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.390385 (E_RNA)
where:
Base-Base interactions energy: -1482.667
where: short stacking energy: -636.003
Base-Backbone interact. energy: -2.343
local terms energy: -708.379719
where:
bonds (distance) C4'-P energy: -127.562
bonds (distance) P-C4' energy: -129.453
flat angles C4'-P-C4' energy: -139.731
flat angles P-C4'-P energy: -107.370
tors. eta vs tors. theta energy: -204.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -2051.292153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.292153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.292153 (E_RNA)
where:
Base-Base interactions energy: -1403.962
where: short stacking energy: -576.655
Base-Backbone interact. energy: -3.200
local terms energy: -644.129529
where:
bonds (distance) C4'-P energy: -119.652
bonds (distance) P-C4' energy: -122.050
flat angles C4'-P-C4' energy: -139.819
flat angles P-C4'-P energy: -82.044
tors. eta vs tors. theta energy: -180.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -1978.282724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.282724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.282724 (E_RNA)
where:
Base-Base interactions energy: -1372.210
where: short stacking energy: -569.501
Base-Backbone interact. energy: 1.009
local terms energy: -607.081963
where:
bonds (distance) C4'-P energy: -115.310
bonds (distance) P-C4' energy: -112.260
flat angles C4'-P-C4' energy: -132.970
flat angles P-C4'-P energy: -78.808
tors. eta vs tors. theta energy: -167.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -1878.254964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.254964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.254964 (E_RNA)
where:
Base-Base interactions energy: -1280.290
where: short stacking energy: -563.827
Base-Backbone interact. energy: -2.830
local terms energy: -595.135088
where:
bonds (distance) C4'-P energy: -100.479
bonds (distance) P-C4' energy: -117.587
flat angles C4'-P-C4' energy: -138.685
flat angles P-C4'-P energy: -85.768
tors. eta vs tors. theta energy: -152.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -1657.927854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.927854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.927854 (E_RNA)
where:
Base-Base interactions energy: -1123.844
where: short stacking energy: -466.345
Base-Backbone interact. energy: 4.416
local terms energy: -538.499605
where:
bonds (distance) C4'-P energy: -118.811
bonds (distance) P-C4' energy: -97.101
flat angles C4'-P-C4' energy: -113.751
flat angles P-C4'-P energy: -69.014
tors. eta vs tors. theta energy: -139.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -1464.010100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.010100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.010100 (E_RNA)
where:
Base-Base interactions energy: -964.260
where: short stacking energy: -393.762
Base-Backbone interact. energy: -1.954
local terms energy: -497.796321
where:
bonds (distance) C4'-P energy: -98.712
bonds (distance) P-C4' energy: -104.032
flat angles C4'-P-C4' energy: -115.443
flat angles P-C4'-P energy: -70.632
tors. eta vs tors. theta energy: -108.976
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: 1
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -1162.665771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.665771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.665771 (E_RNA)
where:
Base-Base interactions energy: -737.976
where: short stacking energy: -339.467
Base-Backbone interact. energy: -1.729
local terms energy: -422.960311
where:
bonds (distance) C4'-P energy: -96.232
bonds (distance) P-C4' energy: -100.201
flat angles C4'-P-C4' energy: -80.382
flat angles P-C4'-P energy: -67.832
tors. eta vs tors. theta energy: -78.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -872.247631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.247631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.247631 (E_RNA)
where:
Base-Base interactions energy: -492.183
where: short stacking energy: -259.730
Base-Backbone interact. energy: -1.060
local terms energy: -379.004389
where:
bonds (distance) C4'-P energy: -104.457
bonds (distance) P-C4' energy: -81.136
flat angles C4'-P-C4' energy: -77.007
flat angles P-C4'-P energy: -65.981
tors. eta vs tors. theta energy: -50.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -786.870173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.870173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.870173 (E_RNA)
where:
Base-Base interactions energy: -424.029
where: short stacking energy: -237.173
Base-Backbone interact. energy: 0.791
local terms energy: -363.632338
where:
bonds (distance) C4'-P energy: -104.411
bonds (distance) P-C4' energy: -102.479
flat angles C4'-P-C4' energy: -87.277
flat angles P-C4'-P energy: -52.081
tors. eta vs tors. theta energy: -17.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -679.821344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.821344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.821344 (E_RNA)
where:
Base-Base interactions energy: -336.628
where: short stacking energy: -170.905
Base-Backbone interact. energy: -0.181
local terms energy: -343.012333
where:
bonds (distance) C4'-P energy: -95.906
bonds (distance) P-C4' energy: -103.355
flat angles C4'-P-C4' energy: -75.691
flat angles P-C4'-P energy: -66.187
tors. eta vs tors. theta energy: -1.873
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: 8
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -2160.043117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.043117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.043117 (E_RNA)
where:
Base-Base interactions energy: -1499.890
where: short stacking energy: -654.123
Base-Backbone interact. energy: -3.407
local terms energy: -656.746251
where:
bonds (distance) C4'-P energy: -118.028
bonds (distance) P-C4' energy: -112.880
flat angles C4'-P-C4' energy: -130.775
flat angles P-C4'-P energy: -94.489
tors. eta vs tors. theta energy: -200.574
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: 2, replica: 7
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -2043.800954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.800954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.800954 (E_RNA)
where:
Base-Base interactions energy: -1415.614
where: short stacking energy: -587.872
Base-Backbone interact. energy: -2.817
local terms energy: -625.370458
where:
bonds (distance) C4'-P energy: -114.591
bonds (distance) P-C4' energy: -122.474
flat angles C4'-P-C4' energy: -126.094
flat angles P-C4'-P energy: -84.082
tors. eta vs tors. theta energy: -178.130
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: 3, replica: 4
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -1980.604053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.604053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.604053 (E_RNA)
where:
Base-Base interactions energy: -1370.253
where: short stacking energy: -587.887
Base-Backbone interact. energy: -3.076
local terms energy: -607.275408
where:
bonds (distance) C4'-P energy: -107.370
bonds (distance) P-C4' energy: -108.256
flat angles C4'-P-C4' energy: -133.869
flat angles P-C4'-P energy: -85.649
tors. eta vs tors. theta energy: -172.131
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: 10
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -1859.049052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.049052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.049052 (E_RNA)
where:
Base-Base interactions energy: -1271.377
where: short stacking energy: -510.108
Base-Backbone interact. energy: -2.065
local terms energy: -585.606581
where:
bonds (distance) C4'-P energy: -105.834
bonds (distance) P-C4' energy: -119.154
flat angles C4'-P-C4' energy: -124.556
flat angles P-C4'-P energy: -74.948
tors. eta vs tors. theta energy: -161.115
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: 5, replica: 9
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -1682.160114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.160114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.160114 (E_RNA)
where:
Base-Base interactions energy: -1139.894
where: short stacking energy: -479.803
Base-Backbone interact. energy: -2.745
local terms energy: -539.521155
where:
bonds (distance) C4'-P energy: -112.345
bonds (distance) P-C4' energy: -103.018
flat angles C4'-P-C4' energy: -126.516
flat angles P-C4'-P energy: -73.210
tors. eta vs tors. theta energy: -124.432
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: 3
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -1487.180411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.180411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.180411 (E_RNA)
where:
Base-Base interactions energy: -987.561
where: short stacking energy: -427.923
Base-Backbone interact. energy: -1.581
local terms energy: -498.038304
where:
bonds (distance) C4'-P energy: -85.692
bonds (distance) P-C4' energy: -105.163
flat angles C4'-P-C4' energy: -116.472
flat angles P-C4'-P energy: -77.956
tors. eta vs tors. theta energy: -112.756
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: 1
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1212.156666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.156666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.156666 (E_RNA)
where:
Base-Base interactions energy: -762.040
where: short stacking energy: -346.191
Base-Backbone interact. energy: -0.051
local terms energy: -450.066271
where:
bonds (distance) C4'-P energy: -89.939
bonds (distance) P-C4' energy: -106.047
flat angles C4'-P-C4' energy: -109.781
flat angles P-C4'-P energy: -60.976
tors. eta vs tors. theta energy: -83.324
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: 8, replica: 2
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -858.810056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.810056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.810056 (E_RNA)
where:
Base-Base interactions energy: -466.414
where: short stacking energy: -258.921
Base-Backbone interact. energy: -1.948
local terms energy: -390.448281
where:
bonds (distance) C4'-P energy: -83.497
bonds (distance) P-C4' energy: -106.243
flat angles C4'-P-C4' energy: -105.905
flat angles P-C4'-P energy: -57.577
tors. eta vs tors. theta energy: -37.226
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: 5
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -686.091783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.091783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.091783 (E_RNA)
where:
Base-Base interactions energy: -356.217
where: short stacking energy: -188.549
Base-Backbone interact. energy: 2.880
local terms energy: -332.754886
where:
bonds (distance) C4'-P energy: -100.110
bonds (distance) P-C4' energy: -93.063
flat angles C4'-P-C4' energy: -92.041
flat angles P-C4'-P energy: -46.383
tors. eta vs tors. theta energy: -1.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -597.928317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.928317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.928317 (E_RNA)
where:
Base-Base interactions energy: -293.618
where: short stacking energy: -182.959
Base-Backbone interact. energy: -0.591
local terms energy: -303.719383
where:
bonds (distance) C4'-P energy: -104.416
bonds (distance) P-C4' energy: -87.530
flat angles C4'-P-C4' energy: -81.833
flat angles P-C4'-P energy: -35.859
tors. eta vs tors. theta energy: 5.918
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: 8
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -2175.545784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.545784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.545784 (E_RNA)
where:
Base-Base interactions energy: -1532.001
where: short stacking energy: -631.338
Base-Backbone interact. energy: -2.904
local terms energy: -640.641489
where:
bonds (distance) C4'-P energy: -116.356
bonds (distance) P-C4' energy: -110.378
flat angles C4'-P-C4' energy: -134.517
flat angles P-C4'-P energy: -81.777
tors. eta vs tors. theta energy: -197.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -2033.451476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.451476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.451476 (E_RNA)
where:
Base-Base interactions energy: -1407.014
where: short stacking energy: -588.239
Base-Backbone interact. energy: -2.481
local terms energy: -623.955709
where:
bonds (distance) C4'-P energy: -125.500
bonds (distance) P-C4' energy: -106.491
flat angles C4'-P-C4' energy: -130.072
flat angles P-C4'-P energy: -88.829
tors. eta vs tors. theta energy: -173.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -1991.878148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.878148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.878148 (E_RNA)
where:
Base-Base interactions energy: -1407.954
where: short stacking energy: -568.995
Base-Backbone interact. energy: -0.686
local terms energy: -583.237923
where:
bonds (distance) C4'-P energy: -105.254
bonds (distance) P-C4' energy: -112.181
flat angles C4'-P-C4' energy: -122.923
flat angles P-C4'-P energy: -78.250
tors. eta vs tors. theta energy: -164.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -1901.199478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.199478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.199478 (E_RNA)
where:
Base-Base interactions energy: -1327.676
where: short stacking energy: -558.511
Base-Backbone interact. energy: -2.144
local terms energy: -571.379211
where:
bonds (distance) C4'-P energy: -102.023
bonds (distance) P-C4' energy: -111.629
flat angles C4'-P-C4' energy: -118.212
flat angles P-C4'-P energy: -80.968
tors. eta vs tors. theta energy: -158.547
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: 9
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -1699.593840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.593840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.593840 (E_RNA)
where:
Base-Base interactions energy: -1145.499
where: short stacking energy: -483.658
Base-Backbone interact. energy: -1.186
local terms energy: -552.909260
where:
bonds (distance) C4'-P energy: -97.577
bonds (distance) P-C4' energy: -113.348
flat angles C4'-P-C4' energy: -114.082
flat angles P-C4'-P energy: -85.164
tors. eta vs tors. theta energy: -142.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -1498.365821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.365821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.365821 (E_RNA)
where:
Base-Base interactions energy: -990.043
where: short stacking energy: -428.898
Base-Backbone interact. energy: -1.660
local terms energy: -506.663576
where:
bonds (distance) C4'-P energy: -92.824
bonds (distance) P-C4' energy: -112.597
flat angles C4'-P-C4' energy: -109.885
flat angles P-C4'-P energy: -72.853
tors. eta vs tors. theta energy: -118.505
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: 1
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -1257.393580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.393580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.393580 (E_RNA)
where:
Base-Base interactions energy: -805.704
where: short stacking energy: -381.203
Base-Backbone interact. energy: -1.062
local terms energy: -450.626969
where:
bonds (distance) C4'-P energy: -96.446
bonds (distance) P-C4' energy: -111.244
flat angles C4'-P-C4' energy: -100.029
flat angles P-C4'-P energy: -53.027
tors. eta vs tors. theta energy: -89.880
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: 2
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -950.030515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.030515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.030515 (E_RNA)
where:
Base-Base interactions energy: -551.492
where: short stacking energy: -291.719
Base-Backbone interact. energy: 0.178
local terms energy: -398.716535
where:
bonds (distance) C4'-P energy: -82.021
bonds (distance) P-C4' energy: -104.493
flat angles C4'-P-C4' energy: -92.375
flat angles P-C4'-P energy: -69.176
tors. eta vs tors. theta energy: -50.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -837.961017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.961017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.961017 (E_RNA)
where:
Base-Base interactions energy: -462.840
where: short stacking energy: -233.903
Base-Backbone interact. energy: -1.446
local terms energy: -373.675405
where:
bonds (distance) C4'-P energy: -87.386
bonds (distance) P-C4' energy: -102.728
flat angles C4'-P-C4' energy: -91.407
flat angles P-C4'-P energy: -60.792
tors. eta vs tors. theta energy: -31.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -653.808119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.808119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.808119 (E_RNA)
where:
Base-Base interactions energy: -383.254
where: short stacking energy: -217.849
Base-Backbone interact. energy: 7.699
local terms energy: -278.253887
where:
bonds (distance) C4'-P energy: -88.069
bonds (distance) P-C4' energy: -85.805
flat angles C4'-P-C4' energy: -71.631
flat angles P-C4'-P energy: -24.337
tors. eta vs tors. theta energy: -8.412
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: 1, replica: 8
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -2196.281692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.281692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.281692 (E_RNA)
where:
Base-Base interactions energy: -1543.932
where: short stacking energy: -642.391
Base-Backbone interact. energy: -3.046
local terms energy: -649.303033
where:
bonds (distance) C4'-P energy: -103.480
bonds (distance) P-C4' energy: -109.924
flat angles C4'-P-C4' energy: -146.092
flat angles P-C4'-P energy: -89.392
tors. eta vs tors. theta energy: -200.415
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: 4
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -2037.215811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.215811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.215811 (E_RNA)
where:
Base-Base interactions energy: -1413.643
where: short stacking energy: -586.706
Base-Backbone interact. energy: -1.112
local terms energy: -622.460954
where:
bonds (distance) C4'-P energy: -123.776
bonds (distance) P-C4' energy: -116.001
flat angles C4'-P-C4' energy: -134.669
flat angles P-C4'-P energy: -87.729
tors. eta vs tors. theta energy: -160.287
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: 7
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -2021.690169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.690169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.690169 (E_RNA)
where:
Base-Base interactions energy: -1413.724
where: short stacking energy: -595.141
Base-Backbone interact. energy: -0.130
local terms energy: -607.836736
where:
bonds (distance) C4'-P energy: -128.797
bonds (distance) P-C4' energy: -94.746
flat angles C4'-P-C4' energy: -126.116
flat angles P-C4'-P energy: -87.481
tors. eta vs tors. theta energy: -170.697
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: 10
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -1872.006508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.006508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.006508 (E_RNA)
where:
Base-Base interactions energy: -1299.486
where: short stacking energy: -531.044
Base-Backbone interact. energy: -2.258
local terms energy: -570.262722
where:
bonds (distance) C4'-P energy: -108.730
bonds (distance) P-C4' energy: -107.026
flat angles C4'-P-C4' energy: -122.191
flat angles P-C4'-P energy: -77.658
tors. eta vs tors. theta energy: -154.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -1728.811273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.811273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.811273 (E_RNA)
where:
Base-Base interactions energy: -1178.516
where: short stacking energy: -466.775
Base-Backbone interact. energy: -4.752
local terms energy: -545.542873
where:
bonds (distance) C4'-P energy: -118.397
bonds (distance) P-C4' energy: -105.688
flat angles C4'-P-C4' energy: -117.244
flat angles P-C4'-P energy: -73.821
tors. eta vs tors. theta energy: -130.393
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: 6, replica: 3
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -1496.399935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.399935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.399935 (E_RNA)
where:
Base-Base interactions energy: -990.788
where: short stacking energy: -410.138
Base-Backbone interact. energy: -0.623
local terms energy: -504.989032
where:
bonds (distance) C4'-P energy: -115.876
bonds (distance) P-C4' energy: -104.592
flat angles C4'-P-C4' energy: -105.461
flat angles P-C4'-P energy: -56.335
tors. eta vs tors. theta energy: -122.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -1282.303350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.303350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.303350 (E_RNA)
where:
Base-Base interactions energy: -824.065
where: short stacking energy: -359.765
Base-Backbone interact. energy: 1.117
local terms energy: -459.355376
where:
bonds (distance) C4'-P energy: -87.317
bonds (distance) P-C4' energy: -101.341
flat angles C4'-P-C4' energy: -101.424
flat angles P-C4'-P energy: -73.705
tors. eta vs tors. theta energy: -95.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -905.691927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.691927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.691927 (E_RNA)
where:
Base-Base interactions energy: -507.366
where: short stacking energy: -234.450
Base-Backbone interact. energy: -3.768
local terms energy: -394.557746
where:
bonds (distance) C4'-P energy: -98.380
bonds (distance) P-C4' energy: -112.672
flat angles C4'-P-C4' energy: -95.012
flat angles P-C4'-P energy: -53.786
tors. eta vs tors. theta energy: -34.707
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: 415
Temperature: 1.300000
Total energy: -856.566238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.566238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.566238 (E_RNA)
where:
Base-Base interactions energy: -483.810
where: short stacking energy: -230.452
Base-Backbone interact. energy: 2.005
local terms energy: -374.760572
where:
bonds (distance) C4'-P energy: -94.293
bonds (distance) P-C4' energy: -111.594
flat angles C4'-P-C4' energy: -86.663
flat angles P-C4'-P energy: -56.409
tors. eta vs tors. theta energy: -25.801
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: 6
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -630.642457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.642457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.642457 (E_RNA)
where:
Base-Base interactions energy: -310.603
where: short stacking energy: -164.270
Base-Backbone interact. energy: 2.319
local terms energy: -322.358791
where:
bonds (distance) C4'-P energy: -95.782
bonds (distance) P-C4' energy: -98.867
flat angles C4'-P-C4' energy: -80.241
flat angles P-C4'-P energy: -54.091
tors. eta vs tors. theta energy: 6.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -2182.293480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.293480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.293480 (E_RNA)
where:
Base-Base interactions energy: -1544.325
where: short stacking energy: -645.849
Base-Backbone interact. energy: -0.851
local terms energy: -637.117083
where:
bonds (distance) C4'-P energy: -107.511
bonds (distance) P-C4' energy: -103.759
flat angles C4'-P-C4' energy: -138.814
flat angles P-C4'-P energy: -88.515
tors. eta vs tors. theta energy: -198.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -2044.739816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.739816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.739816 (E_RNA)
where:
Base-Base interactions energy: -1429.103
where: short stacking energy: -585.772
Base-Backbone interact. energy: -1.134
local terms energy: -614.503001
where:
bonds (distance) C4'-P energy: -107.114
bonds (distance) P-C4' energy: -115.180
flat angles C4'-P-C4' energy: -132.095
flat angles P-C4'-P energy: -99.132
tors. eta vs tors. theta energy: -160.981
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: 3, replica: 7
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -2009.799926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.799926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.799926 (E_RNA)
where:
Base-Base interactions energy: -1386.117
where: short stacking energy: -583.287
Base-Backbone interact. energy: -2.056
local terms energy: -621.626634
where:
bonds (distance) C4'-P energy: -114.794
bonds (distance) P-C4' energy: -118.585
flat angles C4'-P-C4' energy: -130.531
flat angles P-C4'-P energy: -89.376
tors. eta vs tors. theta energy: -168.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -1861.990751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.990751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.990751 (E_RNA)
where:
Base-Base interactions energy: -1263.121
where: short stacking energy: -542.770
Base-Backbone interact. energy: -2.524
local terms energy: -596.345643
where:
bonds (distance) C4'-P energy: -106.193
bonds (distance) P-C4' energy: -121.261
flat angles C4'-P-C4' energy: -130.920
flat angles P-C4'-P energy: -76.233
tors. eta vs tors. theta energy: -161.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -1694.421801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.421801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.421801 (E_RNA)
where:
Base-Base interactions energy: -1142.157
where: short stacking energy: -505.306
Base-Backbone interact. energy: -1.776
local terms energy: -550.488584
where:
bonds (distance) C4'-P energy: -103.834
bonds (distance) P-C4' energy: -106.324
flat angles C4'-P-C4' energy: -119.225
flat angles P-C4'-P energy: -77.950
tors. eta vs tors. theta energy: -143.156
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: 3
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -1513.627492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.627492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.627492 (E_RNA)
where:
Base-Base interactions energy: -1014.786
where: short stacking energy: -412.501
Base-Backbone interact. energy: -2.602
local terms energy: -496.238949
where:
bonds (distance) C4'-P energy: -103.821
bonds (distance) P-C4' energy: -95.309
flat angles C4'-P-C4' energy: -110.097
flat angles P-C4'-P energy: -74.439
tors. eta vs tors. theta energy: -112.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -1264.508238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.508238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.508238 (E_RNA)
where:
Base-Base interactions energy: -796.978
where: short stacking energy: -371.117
Base-Backbone interact. energy: -0.628
local terms energy: -466.902527
where:
bonds (distance) C4'-P energy: -106.264
bonds (distance) P-C4' energy: -107.864
flat angles C4'-P-C4' energy: -91.845
flat angles P-C4'-P energy: -62.207
tors. eta vs tors. theta energy: -98.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -962.843021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.843021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.843021 (E_RNA)
where:
Base-Base interactions energy: -554.062
where: short stacking energy: -277.321
Base-Backbone interact. energy: 0.910
local terms energy: -409.691406
where:
bonds (distance) C4'-P energy: -99.295
bonds (distance) P-C4' energy: -101.715
flat angles C4'-P-C4' energy: -95.515
flat angles P-C4'-P energy: -63.949
tors. eta vs tors. theta energy: -49.217
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: 5
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -805.972210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.972210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.972210 (E_RNA)
where:
Base-Base interactions energy: -462.953
where: short stacking energy: -219.863
Base-Backbone interact. energy: -0.033
local terms energy: -342.986682
where:
bonds (distance) C4'-P energy: -81.655
bonds (distance) P-C4' energy: -97.425
flat angles C4'-P-C4' energy: -83.816
flat angles P-C4'-P energy: -62.844
tors. eta vs tors. theta energy: -17.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -599.206689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.206689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.206689 (E_RNA)
where:
Base-Base interactions energy: -247.490
where: short stacking energy: -146.568
Base-Backbone interact. energy: 6.772
local terms energy: -358.488632
where:
bonds (distance) C4'-P energy: -101.453
bonds (distance) P-C4' energy: -110.565
flat angles C4'-P-C4' energy: -87.096
flat angles P-C4'-P energy: -58.521
tors. eta vs tors. theta energy: -0.853
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: 8
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -2165.269364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.269364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.269364 (E_RNA)
where:
Base-Base interactions energy: -1484.765
where: short stacking energy: -644.605
Base-Backbone interact. energy: -3.031
local terms energy: -677.473898
where:
bonds (distance) C4'-P energy: -121.113
bonds (distance) P-C4' energy: -115.727
flat angles C4'-P-C4' energy: -137.141
flat angles P-C4'-P energy: -99.872
tors. eta vs tors. theta energy: -203.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -2059.774670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.774670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.774670 (E_RNA)
where:
Base-Base interactions energy: -1430.454
where: short stacking energy: -602.436
Base-Backbone interact. energy: -1.640
local terms energy: -627.680367
where:
bonds (distance) C4'-P energy: -114.641
bonds (distance) P-C4' energy: -116.324
flat angles C4'-P-C4' energy: -130.512
flat angles P-C4'-P energy: -93.029
tors. eta vs tors. theta energy: -173.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -2006.778005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.778005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.778005 (E_RNA)
where:
Base-Base interactions energy: -1383.299
where: short stacking energy: -595.002
Base-Backbone interact. energy: -1.802
local terms energy: -621.677883
where:
bonds (distance) C4'-P energy: -107.215
bonds (distance) P-C4' energy: -101.406
flat angles C4'-P-C4' energy: -142.928
flat angles P-C4'-P energy: -96.449
tors. eta vs tors. theta energy: -173.679
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: 10
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -1845.625342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.625342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.625342 (E_RNA)
where:
Base-Base interactions energy: -1263.774
where: short stacking energy: -531.482
Base-Backbone interact. energy: -2.076
local terms energy: -579.774845
where:
bonds (distance) C4'-P energy: -104.709
bonds (distance) P-C4' energy: -113.916
flat angles C4'-P-C4' energy: -122.934
flat angles P-C4'-P energy: -80.507
tors. eta vs tors. theta energy: -157.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -1690.727342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.727342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.727342 (E_RNA)
where:
Base-Base interactions energy: -1126.199
where: short stacking energy: -510.270
Base-Backbone interact. energy: -2.124
local terms energy: -562.403951
where:
bonds (distance) C4'-P energy: -99.465
bonds (distance) P-C4' energy: -117.903
flat angles C4'-P-C4' energy: -113.520
flat angles P-C4'-P energy: -69.200
tors. eta vs tors. theta energy: -162.316
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: 3
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -1580.616993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.616993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.616993 (E_RNA)
where:
Base-Base interactions energy: -1052.673
where: short stacking energy: -455.477
Base-Backbone interact. energy: -0.459
local terms energy: -527.484846
where:
bonds (distance) C4'-P energy: -93.977
bonds (distance) P-C4' energy: -110.341
flat angles C4'-P-C4' energy: -115.311
flat angles P-C4'-P energy: -79.301
tors. eta vs tors. theta energy: -128.555
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: 7, replica: 1
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -1257.413905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.413905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.413905 (E_RNA)
where:
Base-Base interactions energy: -808.118
where: short stacking energy: -358.384
Base-Backbone interact. energy: 0.192
local terms energy: -449.487634
where:
bonds (distance) C4'-P energy: -99.113
bonds (distance) P-C4' energy: -99.817
flat angles C4'-P-C4' energy: -94.235
flat angles P-C4'-P energy: -76.057
tors. eta vs tors. theta energy: -80.266
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: 2
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -1001.935665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.935665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.935665 (E_RNA)
where:
Base-Base interactions energy: -606.523
where: short stacking energy: -288.922
Base-Backbone interact. energy: 2.185
local terms energy: -397.597551
where:
bonds (distance) C4'-P energy: -92.120
bonds (distance) P-C4' energy: -98.100
flat angles C4'-P-C4' energy: -78.914
flat angles P-C4'-P energy: -72.969
tors. eta vs tors. theta energy: -55.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -796.163244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.163244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.163244 (E_RNA)
where:
Base-Base interactions energy: -443.073
where: short stacking energy: -223.724
Base-Backbone interact. energy: 0.986
local terms energy: -354.076239
where:
bonds (distance) C4'-P energy: -90.678
bonds (distance) P-C4' energy: -101.300
flat angles C4'-P-C4' energy: -98.084
flat angles P-C4'-P energy: -49.579
tors. eta vs tors. theta energy: -14.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -564.879966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.879966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.879966 (E_RNA)
where:
Base-Base interactions energy: -259.358
where: short stacking energy: -187.889
Base-Backbone interact. energy: 1.411
local terms energy: -306.933331
where:
bonds (distance) C4'-P energy: -84.237
bonds (distance) P-C4' energy: -110.784
flat angles C4'-P-C4' energy: -72.905
flat angles P-C4'-P energy: -48.421
tors. eta vs tors. theta energy: 9.414
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: 8
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -2161.455122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.455122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.455122 (E_RNA)
where:
Base-Base interactions energy: -1489.937
where: short stacking energy: -626.102
Base-Backbone interact. energy: -3.828
local terms energy: -667.689928
where:
bonds (distance) C4'-P energy: -111.792
bonds (distance) P-C4' energy: -118.760
flat angles C4'-P-C4' energy: -145.073
flat angles P-C4'-P energy: -95.291
tors. eta vs tors. theta energy: -196.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -2042.166101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.166101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.166101 (E_RNA)
where:
Base-Base interactions energy: -1431.701
where: short stacking energy: -586.170
Base-Backbone interact. energy: -2.496
local terms energy: -607.969998
where:
bonds (distance) C4'-P energy: -104.060
bonds (distance) P-C4' energy: -118.928
flat angles C4'-P-C4' energy: -126.202
flat angles P-C4'-P energy: -88.720
tors. eta vs tors. theta energy: -170.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -1965.444513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.444513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.444513 (E_RNA)
where:
Base-Base interactions energy: -1353.875
where: short stacking energy: -560.159
Base-Backbone interact. energy: -3.361
local terms energy: -608.208633
where:
bonds (distance) C4'-P energy: -108.493
bonds (distance) P-C4' energy: -103.181
flat angles C4'-P-C4' energy: -130.818
flat angles P-C4'-P energy: -92.319
tors. eta vs tors. theta energy: -173.398
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: 4, replica: 10
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -1882.676556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.676556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.676556 (E_RNA)
where:
Base-Base interactions energy: -1270.662
where: short stacking energy: -550.256
Base-Backbone interact. energy: -2.064
local terms energy: -609.950577
where:
bonds (distance) C4'-P energy: -104.558
bonds (distance) P-C4' energy: -117.310
flat angles C4'-P-C4' energy: -136.111
flat angles P-C4'-P energy: -85.997
tors. eta vs tors. theta energy: -165.974
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: 9
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -1678.668802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.668802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.668802 (E_RNA)
where:
Base-Base interactions energy: -1133.398
where: short stacking energy: -470.123
Base-Backbone interact. energy: -4.723
local terms energy: -540.547444
where:
bonds (distance) C4'-P energy: -102.448
bonds (distance) P-C4' energy: -114.403
flat angles C4'-P-C4' energy: -108.468
flat angles P-C4'-P energy: -78.410
tors. eta vs tors. theta energy: -136.818
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: 3
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -1544.795057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.795057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.795057 (E_RNA)
where:
Base-Base interactions energy: -1040.741
where: short stacking energy: -447.629
Base-Backbone interact. energy: -1.016
local terms energy: -503.037961
where:
bonds (distance) C4'-P energy: -95.109
bonds (distance) P-C4' energy: -94.016
flat angles C4'-P-C4' energy: -113.476
flat angles P-C4'-P energy: -70.135
tors. eta vs tors. theta energy: -130.301
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: 1
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1161.486327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.486327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.486327 (E_RNA)
where:
Base-Base interactions energy: -723.503
where: short stacking energy: -345.551
Base-Backbone interact. energy: 2.751
local terms energy: -440.733861
where:
bonds (distance) C4'-P energy: -102.576
bonds (distance) P-C4' energy: -99.207
flat angles C4'-P-C4' energy: -108.121
flat angles P-C4'-P energy: -60.701
tors. eta vs tors. theta energy: -70.129
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: 8, replica: 2
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -940.526531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.526531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.526531 (E_RNA)
where:
Base-Base interactions energy: -565.671
where: short stacking energy: -278.675
Base-Backbone interact. energy: -2.802
local terms energy: -372.053295
where:
bonds (distance) C4'-P energy: -97.810
bonds (distance) P-C4' energy: -88.820
flat angles C4'-P-C4' energy: -98.793
flat angles P-C4'-P energy: -49.388
tors. eta vs tors. theta energy: -37.244
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: 9, replica: 5
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -853.052995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.052995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.052995 (E_RNA)
where:
Base-Base interactions energy: -470.854
where: short stacking energy: -227.382
Base-Backbone interact. energy: 1.350
local terms energy: -383.548839
where:
bonds (distance) C4'-P energy: -86.854
bonds (distance) P-C4' energy: -126.286
flat angles C4'-P-C4' energy: -96.912
flat angles P-C4'-P energy: -51.611
tors. eta vs tors. theta energy: -21.886
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: 6
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -558.632454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.632454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.632454 (E_RNA)
where:
Base-Base interactions energy: -260.379
where: short stacking energy: -151.303
Base-Backbone interact. energy: 1.000
local terms energy: -299.253709
where:
bonds (distance) C4'-P energy: -89.743
bonds (distance) P-C4' energy: -82.458
flat angles C4'-P-C4' energy: -81.715
flat angles P-C4'-P energy: -42.748
tors. eta vs tors. theta energy: -2.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -2166.596419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.596419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.596419 (E_RNA)
where:
Base-Base interactions energy: -1497.896
where: short stacking energy: -634.623
Base-Backbone interact. energy: -0.728
local terms energy: -667.972329
where:
bonds (distance) C4'-P energy: -107.592
bonds (distance) P-C4' energy: -123.034
flat angles C4'-P-C4' energy: -141.934
flat angles P-C4'-P energy: -98.246
tors. eta vs tors. theta energy: -197.167
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: 4
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -2080.979751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.979751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.979751 (E_RNA)
where:
Base-Base interactions energy: -1466.779
where: short stacking energy: -603.548
Base-Backbone interact. energy: 0.188
local terms energy: -614.389082
where:
bonds (distance) C4'-P energy: -118.238
bonds (distance) P-C4' energy: -111.162
flat angles C4'-P-C4' energy: -126.063
flat angles P-C4'-P energy: -95.645
tors. eta vs tors. theta energy: -163.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -1969.047470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.047470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.047470 (E_RNA)
where:
Base-Base interactions energy: -1386.053
where: short stacking energy: -580.273
Base-Backbone interact. energy: -3.034
local terms energy: -579.960400
where:
bonds (distance) C4'-P energy: -105.363
bonds (distance) P-C4' energy: -113.656
flat angles C4'-P-C4' energy: -115.981
flat angles P-C4'-P energy: -80.395
tors. eta vs tors. theta energy: -164.565
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: 10
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1881.777497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.777497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.777497 (E_RNA)
where:
Base-Base interactions energy: -1304.198
where: short stacking energy: -544.802
Base-Backbone interact. energy: -1.760
local terms energy: -575.819406
where:
bonds (distance) C4'-P energy: -97.667
bonds (distance) P-C4' energy: -111.473
flat angles C4'-P-C4' energy: -126.192
flat angles P-C4'-P energy: -77.303
tors. eta vs tors. theta energy: -163.185
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: 5, replica: 9
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -1726.707362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.707362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.707362 (E_RNA)
where:
Base-Base interactions energy: -1185.888
where: short stacking energy: -517.124
Base-Backbone interact. energy: -1.328
local terms energy: -539.491336
where:
bonds (distance) C4'-P energy: -102.429
bonds (distance) P-C4' energy: -101.588
flat angles C4'-P-C4' energy: -116.704
flat angles P-C4'-P energy: -68.519
tors. eta vs tors. theta energy: -150.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1491.473905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.473905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.473905 (E_RNA)
where:
Base-Base interactions energy: -978.473
where: short stacking energy: -428.272
Base-Backbone interact. energy: -1.234
local terms energy: -511.767321
where:
bonds (distance) C4'-P energy: -117.044
bonds (distance) P-C4' energy: -97.284
flat angles C4'-P-C4' energy: -105.234
flat angles P-C4'-P energy: -75.459
tors. eta vs tors. theta energy: -116.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1145.855273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.855273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.855273 (E_RNA)
where:
Base-Base interactions energy: -720.474
where: short stacking energy: -338.052
Base-Backbone interact. energy: -1.907
local terms energy: -423.473791
where:
bonds (distance) C4'-P energy: -109.615
bonds (distance) P-C4' energy: -89.870
flat angles C4'-P-C4' energy: -111.107
flat angles P-C4'-P energy: -54.069
tors. eta vs tors. theta energy: -58.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -1010.600733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.600733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.600733 (E_RNA)
where:
Base-Base interactions energy: -628.652
where: short stacking energy: -293.103
Base-Backbone interact. energy: -2.642
local terms energy: -379.307561
where:
bonds (distance) C4'-P energy: -81.256
bonds (distance) P-C4' energy: -90.293
flat angles C4'-P-C4' energy: -91.598
flat angles P-C4'-P energy: -71.308
tors. eta vs tors. theta energy: -44.852
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: 5
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -744.219341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.219341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.219341 (E_RNA)
where:
Base-Base interactions energy: -402.070
where: short stacking energy: -226.218
Base-Backbone interact. energy: 0.290
local terms energy: -342.439652
where:
bonds (distance) C4'-P energy: -85.850
bonds (distance) P-C4' energy: -100.302
flat angles C4'-P-C4' energy: -72.700
flat angles P-C4'-P energy: -57.555
tors. eta vs tors. theta energy: -26.033
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: 6
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -622.707046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.707046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.707046 (E_RNA)
where:
Base-Base interactions energy: -301.874
where: short stacking energy: -182.389
Base-Backbone interact. energy: -0.772
local terms energy: -320.061141
where:
bonds (distance) C4'-P energy: -93.390
bonds (distance) P-C4' energy: -105.075
flat angles C4'-P-C4' energy: -64.525
flat angles P-C4'-P energy: -50.488
tors. eta vs tors. theta energy: -6.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -2147.141142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.141142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.141142 (E_RNA)
where:
Base-Base interactions energy: -1508.421
where: short stacking energy: -625.745
Base-Backbone interact. energy: -1.960
local terms energy: -636.760558
where:
bonds (distance) C4'-P energy: -106.803
bonds (distance) P-C4' energy: -108.045
flat angles C4'-P-C4' energy: -129.352
flat angles P-C4'-P energy: -89.896
tors. eta vs tors. theta energy: -202.664
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: 2, replica: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -2039.814216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.814216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.814216 (E_RNA)
where:
Base-Base interactions energy: -1425.004
where: short stacking energy: -593.830
Base-Backbone interact. energy: -1.476
local terms energy: -613.333846
where:
bonds (distance) C4'-P energy: -92.604
bonds (distance) P-C4' energy: -113.761
flat angles C4'-P-C4' energy: -126.467
flat angles P-C4'-P energy: -96.784
tors. eta vs tors. theta energy: -183.718
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: 7
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1957.375563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.375563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.375563 (E_RNA)
where:
Base-Base interactions energy: -1358.901
where: short stacking energy: -577.683
Base-Backbone interact. energy: 2.828
local terms energy: -601.302681
where:
bonds (distance) C4'-P energy: -105.228
bonds (distance) P-C4' energy: -109.441
flat angles C4'-P-C4' energy: -127.162
flat angles P-C4'-P energy: -76.756
tors. eta vs tors. theta energy: -182.716
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: 10
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -1869.626710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.626710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.626710 (E_RNA)
where:
Base-Base interactions energy: -1262.884
where: short stacking energy: -538.611
Base-Backbone interact. energy: -1.121
local terms energy: -605.622100
where:
bonds (distance) C4'-P energy: -115.898
bonds (distance) P-C4' energy: -115.770
flat angles C4'-P-C4' energy: -134.620
flat angles P-C4'-P energy: -84.170
tors. eta vs tors. theta energy: -155.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -1709.429427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.429427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.429427 (E_RNA)
where:
Base-Base interactions energy: -1186.704
where: short stacking energy: -487.254
Base-Backbone interact. energy: 0.751
local terms energy: -523.476477
where:
bonds (distance) C4'-P energy: -85.066
bonds (distance) P-C4' energy: -89.601
flat angles C4'-P-C4' energy: -124.369
flat angles P-C4'-P energy: -80.259
tors. eta vs tors. theta energy: -144.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -1525.376750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.376750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.376750 (E_RNA)
where:
Base-Base interactions energy: -1016.877
where: short stacking energy: -426.217
Base-Backbone interact. energy: 0.713
local terms energy: -509.212789
where:
bonds (distance) C4'-P energy: -91.516
bonds (distance) P-C4' energy: -103.402
flat angles C4'-P-C4' energy: -114.843
flat angles P-C4'-P energy: -67.328
tors. eta vs tors. theta energy: -132.124
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: 1
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1167.382719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.382719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.382719 (E_RNA)
where:
Base-Base interactions energy: -719.840
where: short stacking energy: -322.193
Base-Backbone interact. energy: -1.687
local terms energy: -445.855780
where:
bonds (distance) C4'-P energy: -99.940
bonds (distance) P-C4' energy: -108.932
flat angles C4'-P-C4' energy: -105.947
flat angles P-C4'-P energy: -65.916
tors. eta vs tors. theta energy: -65.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -996.989983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.989983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.989983 (E_RNA)
where:
Base-Base interactions energy: -606.322
where: short stacking energy: -299.308
Base-Backbone interact. energy: 0.049
local terms energy: -390.716464
where:
bonds (distance) C4'-P energy: -97.292
bonds (distance) P-C4' energy: -106.486
flat angles C4'-P-C4' energy: -78.793
flat angles P-C4'-P energy: -60.250
tors. eta vs tors. theta energy: -47.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -744.487665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.487665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.487665 (E_RNA)
where:
Base-Base interactions energy: -346.320
where: short stacking energy: -192.612
Base-Backbone interact. energy: -2.773
local terms energy: -395.394283
where:
bonds (distance) C4'-P energy: -97.785
bonds (distance) P-C4' energy: -107.656
flat angles C4'-P-C4' energy: -110.497
flat angles P-C4'-P energy: -53.253
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: 6
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -615.149962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.149962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.149962 (E_RNA)
where:
Base-Base interactions energy: -325.746
where: short stacking energy: -172.503
Base-Backbone interact. energy: 6.941
local terms energy: -296.344897
where:
bonds (distance) C4'-P energy: -89.003
bonds (distance) P-C4' energy: -87.118
flat angles C4'-P-C4' energy: -75.120
flat angles P-C4'-P energy: -53.163
tors. eta vs tors. theta energy: 8.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -2161.194366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.194366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.194366 (E_RNA)
where:
Base-Base interactions energy: -1485.692
where: short stacking energy: -633.465
Base-Backbone interact. energy: -2.450
local terms energy: -673.052803
where:
bonds (distance) C4'-P energy: -120.022
bonds (distance) P-C4' energy: -120.439
flat angles C4'-P-C4' energy: -143.242
flat angles P-C4'-P energy: -92.579
tors. eta vs tors. theta energy: -196.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -2073.239522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.239522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.239522 (E_RNA)
where:
Base-Base interactions energy: -1436.051
where: short stacking energy: -588.526
Base-Backbone interact. energy: 0.217
local terms energy: -637.405905
where:
bonds (distance) C4'-P energy: -115.415
bonds (distance) P-C4' energy: -121.343
flat angles C4'-P-C4' energy: -142.760
flat angles P-C4'-P energy: -87.078
tors. eta vs tors. theta energy: -170.810
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: 3, replica: 7
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1969.974917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.974917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.974917 (E_RNA)
where:
Base-Base interactions energy: -1367.707
where: short stacking energy: -560.213
Base-Backbone interact. energy: -1.545
local terms energy: -600.722555
where:
bonds (distance) C4'-P energy: -105.032
bonds (distance) P-C4' energy: -114.602
flat angles C4'-P-C4' energy: -128.217
flat angles P-C4'-P energy: -82.568
tors. eta vs tors. theta energy: -170.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -1879.387605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.387605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.387605 (E_RNA)
where:
Base-Base interactions energy: -1297.568
where: short stacking energy: -528.778
Base-Backbone interact. energy: -1.414
local terms energy: -580.405633
where:
bonds (distance) C4'-P energy: -100.106
bonds (distance) P-C4' energy: -115.906
flat angles C4'-P-C4' energy: -119.901
flat angles P-C4'-P energy: -76.743
tors. eta vs tors. theta energy: -167.750
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: 9
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -1735.686789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.686789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.686789 (E_RNA)
where:
Base-Base interactions energy: -1171.684
where: short stacking energy: -485.036
Base-Backbone interact. energy: 3.890
local terms energy: -567.893440
where:
bonds (distance) C4'-P energy: -110.369
bonds (distance) P-C4' energy: -97.994
flat angles C4'-P-C4' energy: -136.390
flat angles P-C4'-P energy: -88.477
tors. eta vs tors. theta energy: -134.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -1496.171552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.171552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.171552 (E_RNA)
where:
Base-Base interactions energy: -1008.213
where: short stacking energy: -414.793
Base-Backbone interact. energy: -0.897
local terms energy: -487.061498
where:
bonds (distance) C4'-P energy: -103.359
bonds (distance) P-C4' energy: -101.542
flat angles C4'-P-C4' energy: -114.145
flat angles P-C4'-P energy: -68.702
tors. eta vs tors. theta energy: -99.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1125.866725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.866725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.866725 (E_RNA)
where:
Base-Base interactions energy: -695.162
where: short stacking energy: -313.647
Base-Backbone interact. energy: -1.997
local terms energy: -428.706984
where:
bonds (distance) C4'-P energy: -95.766
bonds (distance) P-C4' energy: -84.182
flat angles C4'-P-C4' energy: -106.307
flat angles P-C4'-P energy: -68.966
tors. eta vs tors. theta energy: -73.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -943.358358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.358358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.358358 (E_RNA)
where:
Base-Base interactions energy: -587.549
where: short stacking energy: -264.154
Base-Backbone interact. energy: -1.676
local terms energy: -354.133181
where:
bonds (distance) C4'-P energy: -82.786
bonds (distance) P-C4' energy: -90.984
flat angles C4'-P-C4' energy: -91.648
flat angles P-C4'-P energy: -61.059
tors. eta vs tors. theta energy: -27.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -712.740929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.740929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.740929 (E_RNA)
where:
Base-Base interactions energy: -363.751
where: short stacking energy: -181.429
Base-Backbone interact. energy: 2.326
local terms energy: -351.315093
where:
bonds (distance) C4'-P energy: -107.194
bonds (distance) P-C4' energy: -100.230
flat angles C4'-P-C4' energy: -94.222
flat angles P-C4'-P energy: -58.423
tors. eta vs tors. theta energy: 8.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -643.211908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.211908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.211908 (E_RNA)
where:
Base-Base interactions energy: -304.736
where: short stacking energy: -162.039
Base-Backbone interact. energy: 0.980
local terms energy: -339.455673
where:
bonds (distance) C4'-P energy: -97.778
bonds (distance) P-C4' energy: -115.055
flat angles C4'-P-C4' energy: -99.116
flat angles P-C4'-P energy: -31.271
tors. eta vs tors. theta energy: 3.763
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: 1, replica: 8
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -2176.511026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.511026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.511026 (E_RNA)
where:
Base-Base interactions energy: -1498.648
where: short stacking energy: -630.452
Base-Backbone interact. energy: -5.241
local terms energy: -672.622327
where:
bonds (distance) C4'-P energy: -125.072
bonds (distance) P-C4' energy: -120.896
flat angles C4'-P-C4' energy: -139.525
flat angles P-C4'-P energy: -94.863
tors. eta vs tors. theta energy: -192.266
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: 2, replica: 4
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -2041.731823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.731823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.731823 (E_RNA)
where:
Base-Base interactions energy: -1403.487
where: short stacking energy: -571.044
Base-Backbone interact. energy: -2.798
local terms energy: -635.446078
where:
bonds (distance) C4'-P energy: -117.876
bonds (distance) P-C4' energy: -125.657
flat angles C4'-P-C4' energy: -130.291
flat angles P-C4'-P energy: -92.340
tors. eta vs tors. theta energy: -169.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -1970.374838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.374838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.374838 (E_RNA)
where:
Base-Base interactions energy: -1369.941
where: short stacking energy: -562.169
Base-Backbone interact. energy: -2.464
local terms energy: -597.970354
where:
bonds (distance) C4'-P energy: -114.320
bonds (distance) P-C4' energy: -105.645
flat angles C4'-P-C4' energy: -119.741
flat angles P-C4'-P energy: -76.194
tors. eta vs tors. theta energy: -182.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -1891.955022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.955022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.955022 (E_RNA)
where:
Base-Base interactions energy: -1309.176
where: short stacking energy: -563.264
Base-Backbone interact. energy: 0.491
local terms energy: -583.269966
where:
bonds (distance) C4'-P energy: -87.054
bonds (distance) P-C4' energy: -116.559
flat angles C4'-P-C4' energy: -126.060
flat angles P-C4'-P energy: -78.851
tors. eta vs tors. theta energy: -174.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -1700.847224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.847224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.847224 (E_RNA)
where:
Base-Base interactions energy: -1169.714
where: short stacking energy: -477.133
Base-Backbone interact. energy: -2.102
local terms energy: -529.030286
where:
bonds (distance) C4'-P energy: -109.490
bonds (distance) P-C4' energy: -101.615
flat angles C4'-P-C4' energy: -114.392
flat angles P-C4'-P energy: -69.363
tors. eta vs tors. theta energy: -134.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1547.262608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.262608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.262608 (E_RNA)
where:
Base-Base interactions energy: -1029.904
where: short stacking energy: -438.855
Base-Backbone interact. energy: -1.578
local terms energy: -515.780266
where:
bonds (distance) C4'-P energy: -102.441
bonds (distance) P-C4' energy: -110.876
flat angles C4'-P-C4' energy: -114.555
flat angles P-C4'-P energy: -69.693
tors. eta vs tors. theta energy: -118.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -1120.567816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.567816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.567816 (E_RNA)
where:
Base-Base interactions energy: -671.590
where: short stacking energy: -297.567
Base-Backbone interact. energy: -4.595
local terms energy: -444.382833
where:
bonds (distance) C4'-P energy: -103.409
bonds (distance) P-C4' energy: -118.208
flat angles C4'-P-C4' energy: -79.668
flat angles P-C4'-P energy: -80.664
tors. eta vs tors. theta energy: -62.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -980.642483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.642483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.642483 (E_RNA)
where:
Base-Base interactions energy: -614.568
where: short stacking energy: -293.931
Base-Backbone interact. energy: 8.530
local terms energy: -374.604149
where:
bonds (distance) C4'-P energy: -81.677
bonds (distance) P-C4' energy: -83.116
flat angles C4'-P-C4' energy: -92.625
flat angles P-C4'-P energy: -79.389
tors. eta vs tors. theta energy: -37.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -712.415166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.415166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.415166 (E_RNA)
where:
Base-Base interactions energy: -375.419
where: short stacking energy: -197.859
Base-Backbone interact. energy: -1.219
local terms energy: -335.776500
where:
bonds (distance) C4'-P energy: -88.481
bonds (distance) P-C4' energy: -90.364
flat angles C4'-P-C4' energy: -94.292
flat angles P-C4'-P energy: -56.732
tors. eta vs tors. theta energy: -5.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -597.454340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.454340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.454340 (E_RNA)
where:
Base-Base interactions energy: -276.438
where: short stacking energy: -163.312
Base-Backbone interact. energy: -0.486
local terms energy: -320.530848
where:
bonds (distance) C4'-P energy: -100.051
bonds (distance) P-C4' energy: -93.490
flat angles C4'-P-C4' energy: -85.332
flat angles P-C4'-P energy: -55.029
tors. eta vs tors. theta energy: 13.371
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: 8
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -2161.910626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.910626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.910626 (E_RNA)
where:
Base-Base interactions energy: -1508.917
where: short stacking energy: -652.245
Base-Backbone interact. energy: -2.620
local terms energy: -650.373405
where:
bonds (distance) C4'-P energy: -94.941
bonds (distance) P-C4' energy: -125.005
flat angles C4'-P-C4' energy: -137.291
flat angles P-C4'-P energy: -95.673
tors. eta vs tors. theta energy: -197.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -2049.028494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.028494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.028494 (E_RNA)
where:
Base-Base interactions energy: -1421.757
where: short stacking energy: -586.585
Base-Backbone interact. energy: -4.024
local terms energy: -623.247767
where:
bonds (distance) C4'-P energy: -105.320
bonds (distance) P-C4' energy: -114.682
flat angles C4'-P-C4' energy: -134.269
flat angles P-C4'-P energy: -96.699
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: 3, replica: 7
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -1966.283301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.283301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.283301 (E_RNA)
where:
Base-Base interactions energy: -1384.196
where: short stacking energy: -577.754
Base-Backbone interact. energy: -0.500
local terms energy: -581.587259
where:
bonds (distance) C4'-P energy: -115.222
bonds (distance) P-C4' energy: -94.626
flat angles C4'-P-C4' energy: -122.210
flat angles P-C4'-P energy: -85.156
tors. eta vs tors. theta energy: -164.373
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: 4, replica: 10
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -1900.547367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.547367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.547367 (E_RNA)
where:
Base-Base interactions energy: -1312.150
where: short stacking energy: -559.340
Base-Backbone interact. energy: 0.983
local terms energy: -589.379981
where:
bonds (distance) C4'-P energy: -110.457
bonds (distance) P-C4' energy: -100.971
flat angles C4'-P-C4' energy: -123.433
flat angles P-C4'-P energy: -85.895
tors. eta vs tors. theta energy: -168.624
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: 9
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -1687.753122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.753122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.753122 (E_RNA)
where:
Base-Base interactions energy: -1130.078
where: short stacking energy: -473.643
Base-Backbone interact. energy: -1.428
local terms energy: -556.247824
where:
bonds (distance) C4'-P energy: -117.779
bonds (distance) P-C4' energy: -110.947
flat angles C4'-P-C4' energy: -125.315
flat angles P-C4'-P energy: -65.440
tors. eta vs tors. theta energy: -136.767
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: 3
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -1605.684969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.684969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.684969 (E_RNA)
where:
Base-Base interactions energy: -1074.272
where: short stacking energy: -448.391
Base-Backbone interact. energy: -1.139
local terms energy: -530.273984
where:
bonds (distance) C4'-P energy: -113.642
bonds (distance) P-C4' energy: -102.179
flat angles C4'-P-C4' energy: -117.870
flat angles P-C4'-P energy: -68.083
tors. eta vs tors. theta energy: -128.500
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: 1
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1191.303305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.303305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.303305 (E_RNA)
where:
Base-Base interactions energy: -721.202
where: short stacking energy: -341.888
Base-Backbone interact. energy: -2.197
local terms energy: -467.904049
where:
bonds (distance) C4'-P energy: -116.710
bonds (distance) P-C4' energy: -120.990
flat angles C4'-P-C4' energy: -105.082
flat angles P-C4'-P energy: -60.662
tors. eta vs tors. theta energy: -64.460
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: 2
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -967.503240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.503240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.503240 (E_RNA)
where:
Base-Base interactions energy: -576.696
where: short stacking energy: -278.749
Base-Backbone interact. energy: -4.063
local terms energy: -386.744116
where:
bonds (distance) C4'-P energy: -107.239
bonds (distance) P-C4' energy: -93.675
flat angles C4'-P-C4' energy: -91.003
flat angles P-C4'-P energy: -62.004
tors. eta vs tors. theta energy: -32.823
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: 5
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -754.399624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.399624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.399624 (E_RNA)
where:
Base-Base interactions energy: -396.888
where: short stacking energy: -214.440
Base-Backbone interact. energy: -1.361
local terms energy: -356.150763
where:
bonds (distance) C4'-P energy: -112.757
bonds (distance) P-C4' energy: -95.460
flat angles C4'-P-C4' energy: -69.590
flat angles P-C4'-P energy: -46.746
tors. eta vs tors. theta energy: -31.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -555.461584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.461584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.461584 (E_RNA)
where:
Base-Base interactions energy: -248.636
where: short stacking energy: -149.233
Base-Backbone interact. energy: 0.018
local terms energy: -306.844400
where:
bonds (distance) C4'-P energy: -82.480
bonds (distance) P-C4' energy: -98.306
flat angles C4'-P-C4' energy: -83.983
flat angles P-C4'-P energy: -40.858
tors. eta vs tors. theta energy: -1.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -2142.354676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.354676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.354676 (E_RNA)
where:
Base-Base interactions energy: -1469.920
where: short stacking energy: -644.009
Base-Backbone interact. energy: -3.965
local terms energy: -668.470101
where:
bonds (distance) C4'-P energy: -113.461
bonds (distance) P-C4' energy: -119.992
flat angles C4'-P-C4' energy: -142.483
flat angles P-C4'-P energy: -99.022
tors. eta vs tors. theta energy: -193.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -2076.053548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.053548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.053548 (E_RNA)
where:
Base-Base interactions energy: -1425.983
where: short stacking energy: -586.411
Base-Backbone interact. energy: -2.487
local terms energy: -647.583353
where:
bonds (distance) C4'-P energy: -116.666
bonds (distance) P-C4' energy: -119.931
flat angles C4'-P-C4' energy: -131.138
flat angles P-C4'-P energy: -96.111
tors. eta vs tors. theta energy: -183.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1940.682411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.682411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.682411 (E_RNA)
where:
Base-Base interactions energy: -1323.463
where: short stacking energy: -564.077
Base-Backbone interact. energy: -1.344
local terms energy: -615.876175
where:
bonds (distance) C4'-P energy: -107.267
bonds (distance) P-C4' energy: -106.574
flat angles C4'-P-C4' energy: -138.489
flat angles P-C4'-P energy: -84.429
tors. eta vs tors. theta energy: -179.117
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: 7
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -1918.378391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.378391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.378391 (E_RNA)
where:
Base-Base interactions energy: -1352.678
where: short stacking energy: -567.414
Base-Backbone interact. energy: -3.796
local terms energy: -561.904997
where:
bonds (distance) C4'-P energy: -83.510
bonds (distance) P-C4' energy: -92.082
flat angles C4'-P-C4' energy: -125.658
flat angles P-C4'-P energy: -85.095
tors. eta vs tors. theta energy: -175.560
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: 9
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -1734.124460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.124460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.124460 (E_RNA)
where:
Base-Base interactions energy: -1186.254
where: short stacking energy: -508.021
Base-Backbone interact. energy: -2.365
local terms energy: -545.505768
where:
bonds (distance) C4'-P energy: -101.017
bonds (distance) P-C4' energy: -110.964
flat angles C4'-P-C4' energy: -121.427
flat angles P-C4'-P energy: -66.483
tors. eta vs tors. theta energy: -145.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -1552.474750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.474750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.474750 (E_RNA)
where:
Base-Base interactions energy: -1047.802
where: short stacking energy: -423.556
Base-Backbone interact. energy: 0.754
local terms energy: -505.426615
where:
bonds (distance) C4'-P energy: -113.918
bonds (distance) P-C4' energy: -92.161
flat angles C4'-P-C4' energy: -105.427
flat angles P-C4'-P energy: -60.354
tors. eta vs tors. theta energy: -133.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1149.657893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.657893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.657893 (E_RNA)
where:
Base-Base interactions energy: -713.580
where: short stacking energy: -344.685
Base-Backbone interact. energy: -0.522
local terms energy: -435.556022
where:
bonds (distance) C4'-P energy: -76.299
bonds (distance) P-C4' energy: -110.016
flat angles C4'-P-C4' energy: -114.234
flat angles P-C4'-P energy: -67.656
tors. eta vs tors. theta energy: -67.350
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: 2
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -999.294462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.294462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.294462 (E_RNA)
where:
Base-Base interactions energy: -594.624
where: short stacking energy: -282.055
Base-Backbone interact. energy: -0.854
local terms energy: -403.816499
where:
bonds (distance) C4'-P energy: -89.262
bonds (distance) P-C4' energy: -98.206
flat angles C4'-P-C4' energy: -103.729
flat angles P-C4'-P energy: -60.653
tors. eta vs tors. theta energy: -51.967
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: 9, replica: 5
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -760.006091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.006091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.006091 (E_RNA)
where:
Base-Base interactions energy: -401.316
where: short stacking energy: -205.869
Base-Backbone interact. energy: -2.577
local terms energy: -356.113166
where:
bonds (distance) C4'-P energy: -90.481
bonds (distance) P-C4' energy: -102.219
flat angles C4'-P-C4' energy: -97.772
flat angles P-C4'-P energy: -51.867
tors. eta vs tors. theta energy: -13.774
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: 6
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -550.445043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.445043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.445043 (E_RNA)
where:
Base-Base interactions energy: -250.879
where: short stacking energy: -134.567
Base-Backbone interact. energy: 4.124
local terms energy: -303.689524
where:
bonds (distance) C4'-P energy: -84.992
bonds (distance) P-C4' energy: -121.321
flat angles C4'-P-C4' energy: -89.181
flat angles P-C4'-P energy: -16.013
tors. eta vs tors. theta energy: 7.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -2148.670862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.670862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.670862 (E_RNA)
where:
Base-Base interactions energy: -1489.585
where: short stacking energy: -646.595
Base-Backbone interact. energy: -1.874
local terms energy: -657.212125
where:
bonds (distance) C4'-P energy: -120.835
bonds (distance) P-C4' energy: -110.513
flat angles C4'-P-C4' energy: -138.524
flat angles P-C4'-P energy: -96.402
tors. eta vs tors. theta energy: -190.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -2042.385761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.385761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.385761 (E_RNA)
where:
Base-Base interactions energy: -1418.004
where: short stacking energy: -577.451
Base-Backbone interact. energy: -0.618
local terms energy: -623.763811
where:
bonds (distance) C4'-P energy: -111.763
bonds (distance) P-C4' energy: -107.819
flat angles C4'-P-C4' energy: -134.966
flat angles P-C4'-P energy: -97.991
tors. eta vs tors. theta energy: -171.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -1950.917693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.917693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.917693 (E_RNA)
where:
Base-Base interactions energy: -1333.219
where: short stacking energy: -582.557
Base-Backbone interact. energy: -2.097
local terms energy: -615.601990
where:
bonds (distance) C4'-P energy: -116.750
bonds (distance) P-C4' energy: -103.758
flat angles C4'-P-C4' energy: -132.635
flat angles P-C4'-P energy: -84.699
tors. eta vs tors. theta energy: -177.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -1928.474115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.474115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.474115 (E_RNA)
where:
Base-Base interactions energy: -1350.691
where: short stacking energy: -548.315
Base-Backbone interact. energy: -1.874
local terms energy: -575.908898
where:
bonds (distance) C4'-P energy: -103.556
bonds (distance) P-C4' energy: -99.362
flat angles C4'-P-C4' energy: -133.327
flat angles P-C4'-P energy: -76.501
tors. eta vs tors. theta energy: -163.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -1696.806774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.806774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.806774 (E_RNA)
where:
Base-Base interactions energy: -1165.486
where: short stacking energy: -487.120
Base-Backbone interact. energy: -2.098
local terms energy: -529.223081
where:
bonds (distance) C4'-P energy: -104.459
bonds (distance) P-C4' energy: -105.539
flat angles C4'-P-C4' energy: -112.239
flat angles P-C4'-P energy: -76.300
tors. eta vs tors. theta energy: -130.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -1538.679738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.679738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.679738 (E_RNA)
where:
Base-Base interactions energy: -1036.628
where: short stacking energy: -420.997
Base-Backbone interact. energy: -1.732
local terms energy: -500.320107
where:
bonds (distance) C4'-P energy: -97.231
bonds (distance) P-C4' energy: -113.240
flat angles C4'-P-C4' energy: -106.477
flat angles P-C4'-P energy: -59.882
tors. eta vs tors. theta energy: -123.491
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: 1
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -1120.025767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.025767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.025767 (E_RNA)
where:
Base-Base interactions energy: -699.051
where: short stacking energy: -308.252
Base-Backbone interact. energy: 0.051
local terms energy: -421.025671
where:
bonds (distance) C4'-P energy: -97.291
bonds (distance) P-C4' energy: -100.110
flat angles C4'-P-C4' energy: -101.970
flat angles P-C4'-P energy: -66.436
tors. eta vs tors. theta energy: -55.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -937.188266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.188266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.188266 (E_RNA)
where:
Base-Base interactions energy: -562.922
where: short stacking energy: -266.653
Base-Backbone interact. energy: 3.872
local terms energy: -378.138443
where:
bonds (distance) C4'-P energy: -101.816
bonds (distance) P-C4' energy: -85.900
flat angles C4'-P-C4' energy: -92.738
flat angles P-C4'-P energy: -50.427
tors. eta vs tors. theta energy: -47.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -819.327886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.327886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.327886 (E_RNA)
where:
Base-Base interactions energy: -446.177
where: short stacking energy: -208.225
Base-Backbone interact. energy: -3.745
local terms energy: -369.406680
where:
bonds (distance) C4'-P energy: -104.507
bonds (distance) P-C4' energy: -99.488
flat angles C4'-P-C4' energy: -95.779
flat angles P-C4'-P energy: -44.891
tors. eta vs tors. theta energy: -24.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -572.863694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.863694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.863694 (E_RNA)
where:
Base-Base interactions energy: -275.958
where: short stacking energy: -162.233
Base-Backbone interact. energy: -1.789
local terms energy: -295.116212
where:
bonds (distance) C4'-P energy: -96.778
bonds (distance) P-C4' energy: -86.121
flat angles C4'-P-C4' energy: -86.863
flat angles P-C4'-P energy: -32.819
tors. eta vs tors. theta energy: 7.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -2171.910847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.910847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.910847 (E_RNA)
where:
Base-Base interactions energy: -1507.110
where: short stacking energy: -639.480
Base-Backbone interact. energy: -2.391
local terms energy: -662.409217
where:
bonds (distance) C4'-P energy: -119.504
bonds (distance) P-C4' energy: -118.838
flat angles C4'-P-C4' energy: -136.204
flat angles P-C4'-P energy: -89.133
tors. eta vs tors. theta energy: -198.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -2089.817001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.817001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.817001 (E_RNA)
where:
Base-Base interactions energy: -1466.128
where: short stacking energy: -597.469
Base-Backbone interact. energy: -5.613
local terms energy: -618.075461
where:
bonds (distance) C4'-P energy: -91.167
bonds (distance) P-C4' energy: -124.848
flat angles C4'-P-C4' energy: -133.024
flat angles P-C4'-P energy: -91.862
tors. eta vs tors. theta energy: -177.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1967.077618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.077618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.077618 (E_RNA)
where:
Base-Base interactions energy: -1345.977
where: short stacking energy: -570.651
Base-Backbone interact. energy: -2.972
local terms energy: -618.129167
where:
bonds (distance) C4'-P energy: -108.767
bonds (distance) P-C4' energy: -119.258
flat angles C4'-P-C4' energy: -130.459
flat angles P-C4'-P energy: -84.357
tors. eta vs tors. theta energy: -175.288
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: 4, replica: 10
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1852.265566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.265566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.265566 (E_RNA)
where:
Base-Base interactions energy: -1273.086
where: short stacking energy: -546.124
Base-Backbone interact. energy: -0.176
local terms energy: -579.003588
where:
bonds (distance) C4'-P energy: -108.321
bonds (distance) P-C4' energy: -118.822
flat angles C4'-P-C4' energy: -114.737
flat angles P-C4'-P energy: -77.486
tors. eta vs tors. theta energy: -159.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -1699.033954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.033954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.033954 (E_RNA)
where:
Base-Base interactions energy: -1157.192
where: short stacking energy: -484.363
Base-Backbone interact. energy: -2.058
local terms energy: -539.784031
where:
bonds (distance) C4'-P energy: -102.697
bonds (distance) P-C4' energy: -106.584
flat angles C4'-P-C4' energy: -123.354
flat angles P-C4'-P energy: -76.203
tors. eta vs tors. theta energy: -130.946
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: 6, replica: 3
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -1579.021792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.021792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.021792 (E_RNA)
where:
Base-Base interactions energy: -1071.048
where: short stacking energy: -448.559
Base-Backbone interact. energy: -2.036
local terms energy: -505.937365
where:
bonds (distance) C4'-P energy: -81.768
bonds (distance) P-C4' energy: -98.819
flat angles C4'-P-C4' energy: -118.450
flat angles P-C4'-P energy: -85.041
tors. eta vs tors. theta energy: -121.859
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: 426
Temperature: 1.200000
Total energy: -1122.876981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.876981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.876981 (E_RNA)
where:
Base-Base interactions energy: -723.316
where: short stacking energy: -308.698
Base-Backbone interact. energy: 4.355
local terms energy: -403.915243
where:
bonds (distance) C4'-P energy: -96.209
bonds (distance) P-C4' energy: -92.173
flat angles C4'-P-C4' energy: -92.826
flat angles P-C4'-P energy: -57.218
tors. eta vs tors. theta energy: -65.489
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: 2
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -946.143085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.143085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.143085 (E_RNA)
where:
Base-Base interactions energy: -541.456
where: short stacking energy: -268.870
Base-Backbone interact. energy: -0.991
local terms energy: -403.696497
where:
bonds (distance) C4'-P energy: -81.037
bonds (distance) P-C4' energy: -108.834
flat angles C4'-P-C4' energy: -104.578
flat angles P-C4'-P energy: -56.893
tors. eta vs tors. theta energy: -52.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -762.323253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.323253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.323253 (E_RNA)
where:
Base-Base interactions energy: -445.535
where: short stacking energy: -214.872
Base-Backbone interact. energy: 3.475
local terms energy: -320.263839
where:
bonds (distance) C4'-P energy: -101.108
bonds (distance) P-C4' energy: -106.923
flat angles C4'-P-C4' energy: -82.414
flat angles P-C4'-P energy: -36.132
tors. eta vs tors. theta energy: 6.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -571.142387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.142387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.142387 (E_RNA)
where:
Base-Base interactions energy: -273.028
where: short stacking energy: -152.273
Base-Backbone interact. energy: 5.301
local terms energy: -303.415946
where:
bonds (distance) C4'-P energy: -102.539
bonds (distance) P-C4' energy: -93.660
flat angles C4'-P-C4' energy: -90.166
flat angles P-C4'-P energy: -27.328
tors. eta vs tors. theta energy: 10.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -2147.790387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.790387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.790387 (E_RNA)
where:
Base-Base interactions energy: -1502.539
where: short stacking energy: -636.015
Base-Backbone interact. energy: -0.102
local terms energy: -645.149514
where:
bonds (distance) C4'-P energy: -102.313
bonds (distance) P-C4' energy: -119.604
flat angles C4'-P-C4' energy: -135.951
flat angles P-C4'-P energy: -94.075
tors. eta vs tors. theta energy: -193.207
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: 4
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -2079.959256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.959256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.959256 (E_RNA)
where:
Base-Base interactions energy: -1446.774
where: short stacking energy: -587.021
Base-Backbone interact. energy: -1.920
local terms energy: -631.265152
where:
bonds (distance) C4'-P energy: -106.520
bonds (distance) P-C4' energy: -116.139
flat angles C4'-P-C4' energy: -146.128
flat angles P-C4'-P energy: -86.421
tors. eta vs tors. theta energy: -176.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1967.074295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.074295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.074295 (E_RNA)
where:
Base-Base interactions energy: -1382.961
where: short stacking energy: -568.525
Base-Backbone interact. energy: -0.261
local terms energy: -583.852175
where:
bonds (distance) C4'-P energy: -114.087
bonds (distance) P-C4' energy: -106.100
flat angles C4'-P-C4' energy: -115.605
flat angles P-C4'-P energy: -85.417
tors. eta vs tors. theta energy: -162.643
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: 10
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -1857.935068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.935068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.935068 (E_RNA)
where:
Base-Base interactions energy: -1257.676
where: short stacking energy: -548.678
Base-Backbone interact. energy: -1.217
local terms energy: -599.041734
where:
bonds (distance) C4'-P energy: -105.523
bonds (distance) P-C4' energy: -126.320
flat angles C4'-P-C4' energy: -121.064
flat angles P-C4'-P energy: -81.723
tors. eta vs tors. theta energy: -164.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -1717.356577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.356577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.356577 (E_RNA)
where:
Base-Base interactions energy: -1162.520
where: short stacking energy: -530.728
Base-Backbone interact. energy: -2.193
local terms energy: -552.643159
where:
bonds (distance) C4'-P energy: -105.804
bonds (distance) P-C4' energy: -104.596
flat angles C4'-P-C4' energy: -116.294
flat angles P-C4'-P energy: -80.633
tors. eta vs tors. theta energy: -145.316
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: 3
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1566.269576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.269576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.269576 (E_RNA)
where:
Base-Base interactions energy: -1070.051
where: short stacking energy: -445.784
Base-Backbone interact. energy: -2.315
local terms energy: -493.903290
where:
bonds (distance) C4'-P energy: -82.582
bonds (distance) P-C4' energy: -90.230
flat angles C4'-P-C4' energy: -111.793
flat angles P-C4'-P energy: -83.933
tors. eta vs tors. theta energy: -125.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -1153.373635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.373635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.373635 (E_RNA)
where:
Base-Base interactions energy: -696.789
where: short stacking energy: -326.810
Base-Backbone interact. energy: 0.445
local terms energy: -457.029094
where:
bonds (distance) C4'-P energy: -106.724
bonds (distance) P-C4' energy: -111.597
flat angles C4'-P-C4' energy: -107.438
flat angles P-C4'-P energy: -68.908
tors. eta vs tors. theta energy: -62.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -991.086589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.086589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.086589 (E_RNA)
where:
Base-Base interactions energy: -593.764
where: short stacking energy: -283.458
Base-Backbone interact. energy: -3.960
local terms energy: -393.362826
where:
bonds (distance) C4'-P energy: -101.420
bonds (distance) P-C4' energy: -93.953
flat angles C4'-P-C4' energy: -90.958
flat angles P-C4'-P energy: -57.652
tors. eta vs tors. theta energy: -49.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -796.317987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.317987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.317987 (E_RNA)
where:
Base-Base interactions energy: -441.185
where: short stacking energy: -240.410
Base-Backbone interact. energy: -2.175
local terms energy: -352.957140
where:
bonds (distance) C4'-P energy: -91.400
bonds (distance) P-C4' energy: -85.722
flat angles C4'-P-C4' energy: -94.817
flat angles P-C4'-P energy: -51.672
tors. eta vs tors. theta energy: -29.346
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: 6
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -555.186452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.186452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.186452 (E_RNA)
where:
Base-Base interactions energy: -238.204
where: short stacking energy: -166.414
Base-Backbone interact. energy: -0.055
local terms energy: -316.926898
where:
bonds (distance) C4'-P energy: -85.698
bonds (distance) P-C4' energy: -102.492
flat angles C4'-P-C4' energy: -97.937
flat angles P-C4'-P energy: -30.714
tors. eta vs tors. theta energy: -0.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -2151.978198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.978198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.978198 (E_RNA)
where:
Base-Base interactions energy: -1489.138
where: short stacking energy: -624.434
Base-Backbone interact. energy: -2.786
local terms energy: -660.053615
where:
bonds (distance) C4'-P energy: -118.610
bonds (distance) P-C4' energy: -114.924
flat angles C4'-P-C4' energy: -134.403
flat angles P-C4'-P energy: -97.666
tors. eta vs tors. theta energy: -194.452
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: 428
Temperature: 0.950000
Total energy: -2078.557083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.557083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.557083 (E_RNA)
where:
Base-Base interactions energy: -1469.183
where: short stacking energy: -600.079
Base-Backbone interact. energy: 0.155
local terms energy: -609.529096
where:
bonds (distance) C4'-P energy: -105.503
bonds (distance) P-C4' energy: -110.933
flat angles C4'-P-C4' energy: -131.029
flat angles P-C4'-P energy: -88.866
tors. eta vs tors. theta energy: -173.198
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: 428
Temperature: 1.000000
Total energy: -1951.673237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.673237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.673237 (E_RNA)
where:
Base-Base interactions energy: -1363.149
where: short stacking energy: -556.750
Base-Backbone interact. energy: 1.182
local terms energy: -589.705424
where:
bonds (distance) C4'-P energy: -97.170
bonds (distance) P-C4' energy: -102.875
flat angles C4'-P-C4' energy: -131.213
flat angles P-C4'-P energy: -83.918
tors. eta vs tors. theta energy: -174.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -1891.737922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.737922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.737922 (E_RNA)
where:
Base-Base interactions energy: -1316.254
where: short stacking energy: -561.995
Base-Backbone interact. energy: -1.872
local terms energy: -573.611260
where:
bonds (distance) C4'-P energy: -98.717
bonds (distance) P-C4' energy: -119.622
flat angles C4'-P-C4' energy: -120.075
flat angles P-C4'-P energy: -68.607
tors. eta vs tors. theta energy: -166.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -1732.359326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.359326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.359326 (E_RNA)
where:
Base-Base interactions energy: -1200.768
where: short stacking energy: -509.249
Base-Backbone interact. energy: -1.898
local terms energy: -529.693619
where:
bonds (distance) C4'-P energy: -101.900
bonds (distance) P-C4' energy: -101.196
flat angles C4'-P-C4' energy: -118.563
flat angles P-C4'-P energy: -67.341
tors. eta vs tors. theta energy: -140.693
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: 3
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -1602.975508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.975508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.975508 (E_RNA)
where:
Base-Base interactions energy: -1102.055
where: short stacking energy: -471.193
Base-Backbone interact. energy: -2.083
local terms energy: -498.838101
where:
bonds (distance) C4'-P energy: -91.106
bonds (distance) P-C4' energy: -107.950
flat angles C4'-P-C4' energy: -112.766
flat angles P-C4'-P energy: -61.259
tors. eta vs tors. theta energy: -125.757
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: 1
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1140.460971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.460971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.460971 (E_RNA)
where:
Base-Base interactions energy: -712.002
where: short stacking energy: -343.507
Base-Backbone interact. energy: 1.294
local terms energy: -429.752341
where:
bonds (distance) C4'-P energy: -83.699
bonds (distance) P-C4' energy: -102.998
flat angles C4'-P-C4' energy: -109.320
flat angles P-C4'-P energy: -62.055
tors. eta vs tors. theta energy: -71.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -965.259935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.259935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.259935 (E_RNA)
where:
Base-Base interactions energy: -571.037
where: short stacking energy: -314.270
Base-Backbone interact. energy: -1.118
local terms energy: -393.105824
where:
bonds (distance) C4'-P energy: -85.596
bonds (distance) P-C4' energy: -97.843
flat angles C4'-P-C4' energy: -96.510
flat angles P-C4'-P energy: -51.842
tors. eta vs tors. theta energy: -61.314
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: 5
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -801.007216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.007216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.007216 (E_RNA)
where:
Base-Base interactions energy: -433.621
where: short stacking energy: -228.262
Base-Backbone interact. energy: 2.043
local terms energy: -369.429629
where:
bonds (distance) C4'-P energy: -82.156
bonds (distance) P-C4' energy: -109.587
flat angles C4'-P-C4' energy: -107.282
flat angles P-C4'-P energy: -51.662
tors. eta vs tors. theta energy: -18.743
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: 6
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -532.730872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.730872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.730872 (E_RNA)
where:
Base-Base interactions energy: -225.522
where: short stacking energy: -165.338
Base-Backbone interact. energy: 2.242
local terms energy: -309.450401
where:
bonds (distance) C4'-P energy: -95.533
bonds (distance) P-C4' energy: -84.702
flat angles C4'-P-C4' energy: -85.245
flat angles P-C4'-P energy: -54.621
tors. eta vs tors. theta energy: 10.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -2164.261469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.261469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.261469 (E_RNA)
where:
Base-Base interactions energy: -1497.382
where: short stacking energy: -643.752
Base-Backbone interact. energy: -1.433
local terms energy: -665.446505
where:
bonds (distance) C4'-P energy: -114.624
bonds (distance) P-C4' energy: -120.176
flat angles C4'-P-C4' energy: -137.984
flat angles P-C4'-P energy: -90.754
tors. eta vs tors. theta energy: -201.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -2077.589389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.589389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.589389 (E_RNA)
where:
Base-Base interactions energy: -1450.339
where: short stacking energy: -582.793
Base-Backbone interact. energy: -3.274
local terms energy: -623.976654
where:
bonds (distance) C4'-P energy: -112.943
bonds (distance) P-C4' energy: -117.474
flat angles C4'-P-C4' energy: -130.948
flat angles P-C4'-P energy: -96.426
tors. eta vs tors. theta energy: -166.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1951.552063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.552063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.552063 (E_RNA)
where:
Base-Base interactions energy: -1335.160
where: short stacking energy: -567.166
Base-Backbone interact. energy: -2.709
local terms energy: -613.682270
where:
bonds (distance) C4'-P energy: -105.371
bonds (distance) P-C4' energy: -112.374
flat angles C4'-P-C4' energy: -130.263
flat angles P-C4'-P energy: -84.120
tors. eta vs tors. theta energy: -181.554
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: 4, replica: 10
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1863.195627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.195627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.195627 (E_RNA)
where:
Base-Base interactions energy: -1260.070
where: short stacking energy: -539.206
Base-Backbone interact. energy: -1.706
local terms energy: -601.418713
where:
bonds (distance) C4'-P energy: -112.576
bonds (distance) P-C4' energy: -117.556
flat angles C4'-P-C4' energy: -127.086
flat angles P-C4'-P energy: -85.159
tors. eta vs tors. theta energy: -159.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -1707.610659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.610659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.610659 (E_RNA)
where:
Base-Base interactions energy: -1161.228
where: short stacking energy: -512.216
Base-Backbone interact. energy: -2.907
local terms energy: -543.475447
where:
bonds (distance) C4'-P energy: -103.465
bonds (distance) P-C4' energy: -106.459
flat angles C4'-P-C4' energy: -113.348
flat angles P-C4'-P energy: -79.116
tors. eta vs tors. theta energy: -141.087
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: 3
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -1597.181185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.181185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.181185 (E_RNA)
where:
Base-Base interactions energy: -1090.954
where: short stacking energy: -467.656
Base-Backbone interact. energy: -2.700
local terms energy: -503.527374
where:
bonds (distance) C4'-P energy: -106.444
bonds (distance) P-C4' energy: -94.931
flat angles C4'-P-C4' energy: -119.361
flat angles P-C4'-P energy: -60.376
tors. eta vs tors. theta energy: -122.415
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: 1
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -1167.273149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.273149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.273149 (E_RNA)
where:
Base-Base interactions energy: -736.785
where: short stacking energy: -353.728
Base-Backbone interact. energy: -1.031
local terms energy: -429.456974
where:
bonds (distance) C4'-P energy: -85.208
bonds (distance) P-C4' energy: -103.300
flat angles C4'-P-C4' energy: -102.904
flat angles P-C4'-P energy: -70.696
tors. eta vs tors. theta energy: -67.350
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: 2
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -925.354871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.354871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.354871 (E_RNA)
where:
Base-Base interactions energy: -501.642
where: short stacking energy: -248.211
Base-Backbone interact. energy: 0.409
local terms energy: -424.121656
where:
bonds (distance) C4'-P energy: -102.631
bonds (distance) P-C4' energy: -104.733
flat angles C4'-P-C4' energy: -97.236
flat angles P-C4'-P energy: -64.887
tors. eta vs tors. theta energy: -54.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -787.183455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.183455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.183455 (E_RNA)
where:
Base-Base interactions energy: -429.376
where: short stacking energy: -238.203
Base-Backbone interact. energy: 0.295
local terms energy: -358.102890
where:
bonds (distance) C4'-P energy: -94.828
bonds (distance) P-C4' energy: -96.156
flat angles C4'-P-C4' energy: -90.565
flat angles P-C4'-P energy: -45.828
tors. eta vs tors. theta energy: -30.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -543.714667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.714667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.714667 (E_RNA)
where:
Base-Base interactions energy: -286.165
where: short stacking energy: -166.093
Base-Backbone interact. energy: -0.135
local terms energy: -257.414223
where:
bonds (distance) C4'-P energy: -91.151
bonds (distance) P-C4' energy: -81.841
flat angles C4'-P-C4' energy: -74.996
flat angles P-C4'-P energy: -30.976
tors. eta vs tors. theta energy: 21.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -2161.213520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.213520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.213520 (E_RNA)
where:
Base-Base interactions energy: -1516.438
where: short stacking energy: -637.420
Base-Backbone interact. energy: -2.321
local terms energy: -642.453964
where:
bonds (distance) C4'-P energy: -119.900
bonds (distance) P-C4' energy: -103.236
flat angles C4'-P-C4' energy: -134.994
flat angles P-C4'-P energy: -90.352
tors. eta vs tors. theta energy: -193.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -2071.203327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.203327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.203327 (E_RNA)
where:
Base-Base interactions energy: -1464.879
where: short stacking energy: -584.783
Base-Backbone interact. energy: -3.565
local terms energy: -602.759605
where:
bonds (distance) C4'-P energy: -115.613
bonds (distance) P-C4' energy: -112.760
flat angles C4'-P-C4' energy: -114.002
flat angles P-C4'-P energy: -86.357
tors. eta vs tors. theta energy: -174.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -2012.751130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.751130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.751130 (E_RNA)
where:
Base-Base interactions energy: -1392.725
where: short stacking energy: -574.264
Base-Backbone interact. energy: 0.448
local terms energy: -620.474808
where:
bonds (distance) C4'-P energy: -104.102
bonds (distance) P-C4' energy: -115.108
flat angles C4'-P-C4' energy: -123.656
flat angles P-C4'-P energy: -101.296
tors. eta vs tors. theta energy: -176.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -1865.572169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.572169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.572169 (E_RNA)
where:
Base-Base interactions energy: -1282.796
where: short stacking energy: -544.126
Base-Backbone interact. energy: 1.571
local terms energy: -584.346890
where:
bonds (distance) C4'-P energy: -107.247
bonds (distance) P-C4' energy: -110.075
flat angles C4'-P-C4' energy: -129.127
flat angles P-C4'-P energy: -76.802
tors. eta vs tors. theta energy: -161.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -1702.856579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.856579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.856579 (E_RNA)
where:
Base-Base interactions energy: -1178.960
where: short stacking energy: -493.347
Base-Backbone interact. energy: -0.863
local terms energy: -523.033418
where:
bonds (distance) C4'-P energy: -99.584
bonds (distance) P-C4' energy: -112.739
flat angles C4'-P-C4' energy: -107.473
flat angles P-C4'-P energy: -64.970
tors. eta vs tors. theta energy: -138.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -1536.513677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.513677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.513677 (E_RNA)
where:
Base-Base interactions energy: -1045.071
where: short stacking energy: -434.795
Base-Backbone interact. energy: -2.885
local terms energy: -488.557524
where:
bonds (distance) C4'-P energy: -93.908
bonds (distance) P-C4' energy: -100.044
flat angles C4'-P-C4' energy: -111.513
flat angles P-C4'-P energy: -71.202
tors. eta vs tors. theta energy: -111.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1118.866510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.866510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.866510 (E_RNA)
where:
Base-Base interactions energy: -678.569
where: short stacking energy: -329.438
Base-Backbone interact. energy: -1.225
local terms energy: -439.073032
where:
bonds (distance) C4'-P energy: -93.958
bonds (distance) P-C4' energy: -97.800
flat angles C4'-P-C4' energy: -106.599
flat angles P-C4'-P energy: -74.223
tors. eta vs tors. theta energy: -66.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -851.561438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.561438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.561438 (E_RNA)
where:
Base-Base interactions energy: -465.067
where: short stacking energy: -236.374
Base-Backbone interact. energy: 2.563
local terms energy: -389.056629
where:
bonds (distance) C4'-P energy: -102.885
bonds (distance) P-C4' energy: -111.657
flat angles C4'-P-C4' energy: -94.528
flat angles P-C4'-P energy: -55.902
tors. eta vs tors. theta energy: -24.084
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: 5
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -697.854100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.854100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.854100 (E_RNA)
where:
Base-Base interactions energy: -348.944
where: short stacking energy: -178.650
Base-Backbone interact. energy: -0.339
local terms energy: -348.571228
where:
bonds (distance) C4'-P energy: -101.548
bonds (distance) P-C4' energy: -78.398
flat angles C4'-P-C4' energy: -94.532
flat angles P-C4'-P energy: -64.854
tors. eta vs tors. theta energy: -9.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -576.795618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.795618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.795618 (E_RNA)
where:
Base-Base interactions energy: -226.397
where: short stacking energy: -142.924
Base-Backbone interact. energy: 5.283
local terms energy: -355.681513
where:
bonds (distance) C4'-P energy: -96.027
bonds (distance) P-C4' energy: -100.862
flat angles C4'-P-C4' energy: -93.884
flat angles P-C4'-P energy: -67.191
tors. eta vs tors. theta energy: 2.283
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: 8
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -2136.443955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.443955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.443955 (E_RNA)
where:
Base-Base interactions energy: -1505.324
where: short stacking energy: -655.154
Base-Backbone interact. energy: -0.974
local terms energy: -630.145430
where:
bonds (distance) C4'-P energy: -119.040
bonds (distance) P-C4' energy: -119.245
flat angles C4'-P-C4' energy: -128.926
flat angles P-C4'-P energy: -71.335
tors. eta vs tors. theta energy: -191.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -2070.986049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.986049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.986049 (E_RNA)
where:
Base-Base interactions energy: -1445.233
where: short stacking energy: -587.632
Base-Backbone interact. energy: -2.241
local terms energy: -623.511810
where:
bonds (distance) C4'-P energy: -111.321
bonds (distance) P-C4' energy: -119.516
flat angles C4'-P-C4' energy: -131.467
flat angles P-C4'-P energy: -89.525
tors. eta vs tors. theta energy: -171.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -1978.823303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.823303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.823303 (E_RNA)
where:
Base-Base interactions energy: -1354.633
where: short stacking energy: -573.591
Base-Backbone interact. energy: -0.703
local terms energy: -623.487938
where:
bonds (distance) C4'-P energy: -102.207
bonds (distance) P-C4' energy: -118.038
flat angles C4'-P-C4' energy: -135.883
flat angles P-C4'-P energy: -90.027
tors. eta vs tors. theta energy: -177.334
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: 10
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -1850.624387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.624387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.624387 (E_RNA)
where:
Base-Base interactions energy: -1278.425
where: short stacking energy: -531.121
Base-Backbone interact. energy: 1.461
local terms energy: -573.660650
where:
bonds (distance) C4'-P energy: -93.401
bonds (distance) P-C4' energy: -115.220
flat angles C4'-P-C4' energy: -129.174
flat angles P-C4'-P energy: -84.581
tors. eta vs tors. theta energy: -151.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -1709.804128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.804128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.804128 (E_RNA)
where:
Base-Base interactions energy: -1166.613
where: short stacking energy: -516.357
Base-Backbone interact. energy: 1.236
local terms energy: -544.427087
where:
bonds (distance) C4'-P energy: -111.753
bonds (distance) P-C4' energy: -109.334
flat angles C4'-P-C4' energy: -116.670
flat angles P-C4'-P energy: -74.068
tors. eta vs tors. theta energy: -132.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -1595.782948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.782948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.782948 (E_RNA)
where:
Base-Base interactions energy: -1075.057
where: short stacking energy: -444.406
Base-Backbone interact. energy: -2.341
local terms energy: -518.384379
where:
bonds (distance) C4'-P energy: -104.728
bonds (distance) P-C4' energy: -95.186
flat angles C4'-P-C4' energy: -114.786
flat angles P-C4'-P energy: -76.689
tors. eta vs tors. theta energy: -126.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -1099.831713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.831713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.831713 (E_RNA)
where:
Base-Base interactions energy: -686.099
where: short stacking energy: -293.579
Base-Backbone interact. energy: -0.533
local terms energy: -413.199841
where:
bonds (distance) C4'-P energy: -90.541
bonds (distance) P-C4' energy: -93.892
flat angles C4'-P-C4' energy: -117.385
flat angles P-C4'-P energy: -63.662
tors. eta vs tors. theta energy: -47.721
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: 2
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -869.839848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.839848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.839848 (E_RNA)
where:
Base-Base interactions energy: -491.586
where: short stacking energy: -248.315
Base-Backbone interact. energy: 4.096
local terms energy: -382.349876
where:
bonds (distance) C4'-P energy: -75.972
bonds (distance) P-C4' energy: -104.015
flat angles C4'-P-C4' energy: -88.303
flat angles P-C4'-P energy: -75.890
tors. eta vs tors. theta energy: -38.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -747.753869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.753869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.753869 (E_RNA)
where:
Base-Base interactions energy: -398.073
where: short stacking energy: -214.049
Base-Backbone interact. energy: 0.849
local terms energy: -350.530312
where:
bonds (distance) C4'-P energy: -92.866
bonds (distance) P-C4' energy: -109.684
flat angles C4'-P-C4' energy: -97.695
flat angles P-C4'-P energy: -44.607
tors. eta vs tors. theta energy: -5.679
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: 6
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -510.619781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.619781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.619781 (E_RNA)
where:
Base-Base interactions energy: -218.128
where: short stacking energy: -150.760
Base-Backbone interact. energy: 0.727
local terms energy: -293.219413
where:
bonds (distance) C4'-P energy: -85.497
bonds (distance) P-C4' energy: -99.548
flat angles C4'-P-C4' energy: -57.231
flat angles P-C4'-P energy: -61.677
tors. eta vs tors. theta energy: 10.734
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: 8
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -2152.477284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.477284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.477284 (E_RNA)
where:
Base-Base interactions energy: -1492.320
where: short stacking energy: -645.840
Base-Backbone interact. energy: -0.028
local terms energy: -660.129474
where:
bonds (distance) C4'-P energy: -121.028
bonds (distance) P-C4' energy: -114.660
flat angles C4'-P-C4' energy: -133.271
flat angles P-C4'-P energy: -91.251
tors. eta vs tors. theta energy: -199.919
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: 432
Temperature: 0.950000
Total energy: -2069.900877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.900877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.900877 (E_RNA)
where:
Base-Base interactions energy: -1464.682
where: short stacking energy: -595.767
Base-Backbone interact. energy: 0.454
local terms energy: -605.672532
where:
bonds (distance) C4'-P energy: -102.097
bonds (distance) P-C4' energy: -102.164
flat angles C4'-P-C4' energy: -126.489
flat angles P-C4'-P energy: -94.445
tors. eta vs tors. theta energy: -180.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -1972.911121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.911121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.911121 (E_RNA)
where:
Base-Base interactions energy: -1386.350
where: short stacking energy: -580.455
Base-Backbone interact. energy: -2.278
local terms energy: -584.283430
where:
bonds (distance) C4'-P energy: -95.549
bonds (distance) P-C4' energy: -104.998
flat angles C4'-P-C4' energy: -118.060
flat angles P-C4'-P energy: -79.993
tors. eta vs tors. theta energy: -185.683
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: 10
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1856.783270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.783270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.783270 (E_RNA)
where:
Base-Base interactions energy: -1268.357
where: short stacking energy: -522.991
Base-Backbone interact. energy: -2.772
local terms energy: -585.653721
where:
bonds (distance) C4'-P energy: -100.519
bonds (distance) P-C4' energy: -119.094
flat angles C4'-P-C4' energy: -118.635
flat angles P-C4'-P energy: -95.846
tors. eta vs tors. theta energy: -151.560
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: 9
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -1667.319954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.319954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.319954 (E_RNA)
where:
Base-Base interactions energy: -1145.332
where: short stacking energy: -492.607
Base-Backbone interact. energy: -2.299
local terms energy: -519.689050
where:
bonds (distance) C4'-P energy: -99.221
bonds (distance) P-C4' energy: -98.873
flat angles C4'-P-C4' energy: -115.820
flat angles P-C4'-P energy: -63.627
tors. eta vs tors. theta energy: -142.148
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: 3
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -1583.533220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.533220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.533220 (E_RNA)
where:
Base-Base interactions energy: -1081.923
where: short stacking energy: -436.682
Base-Backbone interact. energy: 3.936
local terms energy: -505.545524
where:
bonds (distance) C4'-P energy: -88.636
bonds (distance) P-C4' energy: -94.615
flat angles C4'-P-C4' energy: -117.652
flat angles P-C4'-P energy: -78.898
tors. eta vs tors. theta energy: -125.745
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: 7, replica: 1
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1116.691817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.691817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.691817 (E_RNA)
where:
Base-Base interactions energy: -688.528
where: short stacking energy: -314.333
Base-Backbone interact. energy: 0.068
local terms energy: -428.231881
where:
bonds (distance) C4'-P energy: -105.681
bonds (distance) P-C4' energy: -121.758
flat angles C4'-P-C4' energy: -84.877
flat angles P-C4'-P energy: -55.004
tors. eta vs tors. theta energy: -60.912
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: 2
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -887.631195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.631195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.631195 (E_RNA)
where:
Base-Base interactions energy: -506.347
where: short stacking energy: -254.394
Base-Backbone interact. energy: 4.259
local terms energy: -385.543046
where:
bonds (distance) C4'-P energy: -84.713
bonds (distance) P-C4' energy: -116.434
flat angles C4'-P-C4' energy: -89.477
flat angles P-C4'-P energy: -54.613
tors. eta vs tors. theta energy: -40.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -721.173337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.173337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.173337 (E_RNA)
where:
Base-Base interactions energy: -330.021
where: short stacking energy: -172.808
Base-Backbone interact. energy: 2.072
local terms energy: -393.224501
where:
bonds (distance) C4'-P energy: -112.741
bonds (distance) P-C4' energy: -119.427
flat angles C4'-P-C4' energy: -102.100
flat angles P-C4'-P energy: -46.429
tors. eta vs tors. theta energy: -12.528
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: 6
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -507.189841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.189841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.189841 (E_RNA)
where:
Base-Base interactions energy: -208.490
where: short stacking energy: -128.014
Base-Backbone interact. energy: 4.253
local terms energy: -302.952643
where:
bonds (distance) C4'-P energy: -99.538
bonds (distance) P-C4' energy: -108.001
flat angles C4'-P-C4' energy: -87.205
flat angles P-C4'-P energy: -47.073
tors. eta vs tors. theta energy: 38.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -2139.349206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.349206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.349206 (E_RNA)
where:
Base-Base interactions energy: -1469.168
where: short stacking energy: -634.389
Base-Backbone interact. energy: -0.237
local terms energy: -669.944685
where:
bonds (distance) C4'-P energy: -113.651
bonds (distance) P-C4' energy: -124.712
flat angles C4'-P-C4' energy: -139.120
flat angles P-C4'-P energy: -95.434
tors. eta vs tors. theta energy: -197.028
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: 2, replica: 4
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -2082.063552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.063552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.063552 (E_RNA)
where:
Base-Base interactions energy: -1455.116
where: short stacking energy: -620.728
Base-Backbone interact. energy: 4.786
local terms energy: -631.733514
where:
bonds (distance) C4'-P energy: -112.036
bonds (distance) P-C4' energy: -113.980
flat angles C4'-P-C4' energy: -131.949
flat angles P-C4'-P energy: -87.206
tors. eta vs tors. theta energy: -186.562
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: 7
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -1980.548677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.548677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.548677 (E_RNA)
where:
Base-Base interactions energy: -1374.900
where: short stacking energy: -575.707
Base-Backbone interact. energy: -0.967
local terms energy: -604.680859
where:
bonds (distance) C4'-P energy: -104.307
bonds (distance) P-C4' energy: -119.434
flat angles C4'-P-C4' energy: -126.619
flat angles P-C4'-P energy: -81.457
tors. eta vs tors. theta energy: -172.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1877.571396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.571396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.571396 (E_RNA)
where:
Base-Base interactions energy: -1301.413
where: short stacking energy: -553.202
Base-Backbone interact. energy: -2.364
local terms energy: -573.794308
where:
bonds (distance) C4'-P energy: -107.086
bonds (distance) P-C4' energy: -108.982
flat angles C4'-P-C4' energy: -115.661
flat angles P-C4'-P energy: -75.660
tors. eta vs tors. theta energy: -166.406
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: 433
Temperature: 1.100000
Total energy: -1751.999203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.999203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.999203 (E_RNA)
where:
Base-Base interactions energy: -1206.900
where: short stacking energy: -506.544
Base-Backbone interact. energy: 2.040
local terms energy: -547.139350
where:
bonds (distance) C4'-P energy: -102.490
bonds (distance) P-C4' energy: -90.137
flat angles C4'-P-C4' energy: -113.153
flat angles P-C4'-P energy: -89.903
tors. eta vs tors. theta energy: -151.456
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: 3
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1587.923003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.923003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.923003 (E_RNA)
where:
Base-Base interactions energy: -1077.248
where: short stacking energy: -447.194
Base-Backbone interact. energy: 3.724
local terms energy: -514.398899
where:
bonds (distance) C4'-P energy: -81.905
bonds (distance) P-C4' energy: -119.375
flat angles C4'-P-C4' energy: -115.696
flat angles P-C4'-P energy: -70.678
tors. eta vs tors. theta energy: -126.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1127.257041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.257041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.257041 (E_RNA)
where:
Base-Base interactions energy: -703.393
where: short stacking energy: -314.791
Base-Backbone interact. energy: -1.637
local terms energy: -422.226675
where:
bonds (distance) C4'-P energy: -109.263
bonds (distance) P-C4' energy: -96.650
flat angles C4'-P-C4' energy: -96.759
flat angles P-C4'-P energy: -52.047
tors. eta vs tors. theta energy: -67.507
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: 2
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -950.486395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.486395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.486395 (E_RNA)
where:
Base-Base interactions energy: -551.912
where: short stacking energy: -286.127
Base-Backbone interact. energy: -0.512
local terms energy: -398.062085
where:
bonds (distance) C4'-P energy: -92.380
bonds (distance) P-C4' energy: -102.836
flat angles C4'-P-C4' energy: -88.706
flat angles P-C4'-P energy: -53.284
tors. eta vs tors. theta energy: -60.856
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: 5
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -680.549270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.549270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.549270 (E_RNA)
where:
Base-Base interactions energy: -336.994
where: short stacking energy: -180.095
Base-Backbone interact. energy: -1.718
local terms energy: -341.837058
where:
bonds (distance) C4'-P energy: -85.680
bonds (distance) P-C4' energy: -113.220
flat angles C4'-P-C4' energy: -88.455
flat angles P-C4'-P energy: -57.478
tors. eta vs tors. theta energy: 2.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -539.723932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.723932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.723932 (E_RNA)
where:
Base-Base interactions energy: -250.017
where: short stacking energy: -138.251
Base-Backbone interact. energy: -1.353
local terms energy: -288.354095
where:
bonds (distance) C4'-P energy: -87.690
bonds (distance) P-C4' energy: -84.990
flat angles C4'-P-C4' energy: -93.264
flat angles P-C4'-P energy: -35.391
tors. eta vs tors. theta energy: 12.981
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: 1, replica: 8
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -2145.122619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.122619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.122619 (E_RNA)
where:
Base-Base interactions energy: -1479.959
where: short stacking energy: -626.210
Base-Backbone interact. energy: 1.359
local terms energy: -666.522900
where:
bonds (distance) C4'-P energy: -112.290
bonds (distance) P-C4' energy: -131.749
flat angles C4'-P-C4' energy: -134.324
flat angles P-C4'-P energy: -93.298
tors. eta vs tors. theta energy: -194.862
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: 2, replica: 4
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -2042.685004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.685004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.685004 (E_RNA)
where:
Base-Base interactions energy: -1413.064
where: short stacking energy: -558.092
Base-Backbone interact. energy: -2.796
local terms energy: -626.824671
where:
bonds (distance) C4'-P energy: -117.662
bonds (distance) P-C4' energy: -114.173
flat angles C4'-P-C4' energy: -131.272
flat angles P-C4'-P energy: -95.259
tors. eta vs tors. theta energy: -168.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1963.956939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.956939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.956939 (E_RNA)
where:
Base-Base interactions energy: -1353.457
where: short stacking energy: -564.675
Base-Backbone interact. energy: -1.250
local terms energy: -609.249688
where:
bonds (distance) C4'-P energy: -120.713
bonds (distance) P-C4' energy: -107.070
flat angles C4'-P-C4' energy: -113.904
flat angles P-C4'-P energy: -89.716
tors. eta vs tors. theta energy: -177.847
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: 4, replica: 10
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -1870.967327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.967327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.967327 (E_RNA)
where:
Base-Base interactions energy: -1281.542
where: short stacking energy: -525.673
Base-Backbone interact. energy: -1.390
local terms energy: -588.035330
where:
bonds (distance) C4'-P energy: -105.254
bonds (distance) P-C4' energy: -99.935
flat angles C4'-P-C4' energy: -132.685
flat angles P-C4'-P energy: -96.268
tors. eta vs tors. theta energy: -153.894
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: 9
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -1755.850517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.850517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.850517 (E_RNA)
where:
Base-Base interactions energy: -1192.913
where: short stacking energy: -517.355
Base-Backbone interact. energy: 1.210
local terms energy: -564.146711
where:
bonds (distance) C4'-P energy: -105.609
bonds (distance) P-C4' energy: -105.283
flat angles C4'-P-C4' energy: -123.942
flat angles P-C4'-P energy: -80.211
tors. eta vs tors. theta energy: -149.102
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: 3
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -1569.070170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.070170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.070170 (E_RNA)
where:
Base-Base interactions energy: -1055.171
where: short stacking energy: -453.069
Base-Backbone interact. energy: -0.525
local terms energy: -513.375062
where:
bonds (distance) C4'-P energy: -100.127
bonds (distance) P-C4' energy: -101.072
flat angles C4'-P-C4' energy: -116.738
flat angles P-C4'-P energy: -74.393
tors. eta vs tors. theta energy: -121.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1074.798818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.798818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.798818 (E_RNA)
where:
Base-Base interactions energy: -673.180
where: short stacking energy: -322.309
Base-Backbone interact. energy: -1.270
local terms energy: -400.348952
where:
bonds (distance) C4'-P energy: -94.256
bonds (distance) P-C4' energy: -98.050
flat angles C4'-P-C4' energy: -92.068
flat angles P-C4'-P energy: -61.825
tors. eta vs tors. theta energy: -54.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -907.268573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.268573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.268573 (E_RNA)
where:
Base-Base interactions energy: -531.073
where: short stacking energy: -253.772
Base-Backbone interact. energy: -2.865
local terms energy: -373.330614
where:
bonds (distance) C4'-P energy: -108.746
bonds (distance) P-C4' energy: -93.907
flat angles C4'-P-C4' energy: -101.075
flat angles P-C4'-P energy: -48.311
tors. eta vs tors. theta energy: -21.291
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: 5
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -714.301179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.301179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.301179 (E_RNA)
where:
Base-Base interactions energy: -377.812
where: short stacking energy: -204.413
Base-Backbone interact. energy: -0.277
local terms energy: -336.212143
where:
bonds (distance) C4'-P energy: -80.969
bonds (distance) P-C4' energy: -104.794
flat angles C4'-P-C4' energy: -83.160
flat angles P-C4'-P energy: -58.945
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: 10, replica: 6
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -581.787358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.787358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.787358 (E_RNA)
where:
Base-Base interactions energy: -278.864
where: short stacking energy: -156.371
Base-Backbone interact. energy: 0.206
local terms energy: -303.129437
where:
bonds (distance) C4'-P energy: -108.010
bonds (distance) P-C4' energy: -114.905
flat angles C4'-P-C4' energy: -67.845
flat angles P-C4'-P energy: -28.086
tors. eta vs tors. theta energy: 15.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -2166.217394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.217394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.217394 (E_RNA)
where:
Base-Base interactions energy: -1520.496
where: short stacking energy: -656.259
Base-Backbone interact. energy: -2.246
local terms energy: -643.476150
where:
bonds (distance) C4'-P energy: -113.265
bonds (distance) P-C4' energy: -115.460
flat angles C4'-P-C4' energy: -134.762
flat angles P-C4'-P energy: -84.030
tors. eta vs tors. theta energy: -195.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -2074.616709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.616709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.616709 (E_RNA)
where:
Base-Base interactions energy: -1454.764
where: short stacking energy: -584.532
Base-Backbone interact. energy: 2.818
local terms energy: -622.671080
where:
bonds (distance) C4'-P energy: -109.104
bonds (distance) P-C4' energy: -124.784
flat angles C4'-P-C4' energy: -129.222
flat angles P-C4'-P energy: -87.830
tors. eta vs tors. theta energy: -171.731
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: 435
Temperature: 1.000000
Total energy: -1932.683312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.683312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.683312 (E_RNA)
where:
Base-Base interactions energy: -1323.454
where: short stacking energy: -567.949
Base-Backbone interact. energy: -2.183
local terms energy: -607.046133
where:
bonds (distance) C4'-P energy: -99.423
bonds (distance) P-C4' energy: -118.350
flat angles C4'-P-C4' energy: -137.034
flat angles P-C4'-P energy: -83.690
tors. eta vs tors. theta energy: -168.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -1865.785853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.785853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.785853 (E_RNA)
where:
Base-Base interactions energy: -1263.389
where: short stacking energy: -542.946
Base-Backbone interact. energy: 2.807
local terms energy: -605.203982
where:
bonds (distance) C4'-P energy: -96.490
bonds (distance) P-C4' energy: -117.751
flat angles C4'-P-C4' energy: -133.298
flat angles P-C4'-P energy: -94.174
tors. eta vs tors. theta energy: -163.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -1718.000216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.000216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.000216 (E_RNA)
where:
Base-Base interactions energy: -1168.659
where: short stacking energy: -487.678
Base-Backbone interact. energy: -2.079
local terms energy: -547.262133
where:
bonds (distance) C4'-P energy: -108.119
bonds (distance) P-C4' energy: -97.431
flat angles C4'-P-C4' energy: -134.401
flat angles P-C4'-P energy: -71.268
tors. eta vs tors. theta energy: -136.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1580.423930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.423930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.423930 (E_RNA)
where:
Base-Base interactions energy: -1052.898
where: short stacking energy: -434.629
Base-Backbone interact. energy: -0.742
local terms energy: -526.783453
where:
bonds (distance) C4'-P energy: -104.448
bonds (distance) P-C4' energy: -112.895
flat angles C4'-P-C4' energy: -108.301
flat angles P-C4'-P energy: -74.594
tors. eta vs tors. theta energy: -126.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -1123.819145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.819145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.819145 (E_RNA)
where:
Base-Base interactions energy: -716.214
where: short stacking energy: -312.784
Base-Backbone interact. energy: 0.246
local terms energy: -407.850672
where:
bonds (distance) C4'-P energy: -97.345
bonds (distance) P-C4' energy: -103.749
flat angles C4'-P-C4' energy: -92.597
flat angles P-C4'-P energy: -53.861
tors. eta vs tors. theta energy: -60.299
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: 8, replica: 2
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -1032.904746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.904746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.904746 (E_RNA)
where:
Base-Base interactions energy: -627.834
where: short stacking energy: -323.305
Base-Backbone interact. energy: 0.999
local terms energy: -406.069667
where:
bonds (distance) C4'-P energy: -113.136
bonds (distance) P-C4' energy: -110.196
flat angles C4'-P-C4' energy: -74.999
flat angles P-C4'-P energy: -52.140
tors. eta vs tors. theta energy: -55.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -737.999161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.999161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.999161 (E_RNA)
where:
Base-Base interactions energy: -371.790
where: short stacking energy: -190.392
Base-Backbone interact. energy: -1.047
local terms energy: -365.161981
where:
bonds (distance) C4'-P energy: -99.883
bonds (distance) P-C4' energy: -94.195
flat angles C4'-P-C4' energy: -98.970
flat angles P-C4'-P energy: -61.636
tors. eta vs tors. theta energy: -10.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -597.843704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.843704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.843704 (E_RNA)
where:
Base-Base interactions energy: -279.399
where: short stacking energy: -150.756
Base-Backbone interact. energy: -1.685
local terms energy: -316.759521
where:
bonds (distance) C4'-P energy: -102.334
bonds (distance) P-C4' energy: -99.030
flat angles C4'-P-C4' energy: -74.393
flat angles P-C4'-P energy: -48.006
tors. eta vs tors. theta energy: 7.004
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: 8
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -2157.436849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.436849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.436849 (E_RNA)
where:
Base-Base interactions energy: -1498.609
where: short stacking energy: -620.093
Base-Backbone interact. energy: -4.479
local terms energy: -654.349137
where:
bonds (distance) C4'-P energy: -119.260
bonds (distance) P-C4' energy: -120.239
flat angles C4'-P-C4' energy: -129.405
flat angles P-C4'-P energy: -89.006
tors. eta vs tors. theta energy: -196.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -2103.773003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.773003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.773003 (E_RNA)
where:
Base-Base interactions energy: -1453.959
where: short stacking energy: -598.014
Base-Backbone interact. energy: -2.290
local terms energy: -647.524192
where:
bonds (distance) C4'-P energy: -124.784
bonds (distance) P-C4' energy: -116.025
flat angles C4'-P-C4' energy: -138.065
flat angles P-C4'-P energy: -93.994
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: 3, replica: 7
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -1954.254758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.254758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.254758 (E_RNA)
where:
Base-Base interactions energy: -1368.910
where: short stacking energy: -587.914
Base-Backbone interact. energy: 0.005
local terms energy: -585.350126
where:
bonds (distance) C4'-P energy: -119.106
bonds (distance) P-C4' energy: -111.677
flat angles C4'-P-C4' energy: -120.864
flat angles P-C4'-P energy: -66.755
tors. eta vs tors. theta energy: -166.947
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: 4, replica: 10
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1847.051185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.051185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.051185 (E_RNA)
where:
Base-Base interactions energy: -1278.583
where: short stacking energy: -547.456
Base-Backbone interact. energy: -2.100
local terms energy: -566.368704
where:
bonds (distance) C4'-P energy: -96.909
bonds (distance) P-C4' energy: -111.642
flat angles C4'-P-C4' energy: -122.689
flat angles P-C4'-P energy: -80.968
tors. eta vs tors. theta energy: -154.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -1701.725578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.725578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.725578 (E_RNA)
where:
Base-Base interactions energy: -1178.019
where: short stacking energy: -486.786
Base-Backbone interact. energy: -2.106
local terms energy: -521.600360
where:
bonds (distance) C4'-P energy: -110.707
bonds (distance) P-C4' energy: -100.506
flat angles C4'-P-C4' energy: -117.564
flat angles P-C4'-P energy: -53.757
tors. eta vs tors. theta energy: -139.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -1597.293182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.293182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.293182 (E_RNA)
where:
Base-Base interactions energy: -1090.812
where: short stacking energy: -461.241
Base-Backbone interact. energy: 0.791
local terms energy: -507.272399
where:
bonds (distance) C4'-P energy: -100.596
bonds (distance) P-C4' energy: -89.397
flat angles C4'-P-C4' energy: -114.986
flat angles P-C4'-P energy: -72.202
tors. eta vs tors. theta energy: -130.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1140.648872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.648872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.648872 (E_RNA)
where:
Base-Base interactions energy: -689.052
where: short stacking energy: -328.850
Base-Backbone interact. energy: -0.051
local terms energy: -451.545809
where:
bonds (distance) C4'-P energy: -111.999
bonds (distance) P-C4' energy: -102.562
flat angles C4'-P-C4' energy: -100.448
flat angles P-C4'-P energy: -53.485
tors. eta vs tors. theta energy: -83.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -994.323745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.323745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.323745 (E_RNA)
where:
Base-Base interactions energy: -615.991
where: short stacking energy: -278.056
Base-Backbone interact. energy: -0.099
local terms energy: -378.233178
where:
bonds (distance) C4'-P energy: -87.304
bonds (distance) P-C4' energy: -96.058
flat angles C4'-P-C4' energy: -98.851
flat angles P-C4'-P energy: -50.916
tors. eta vs tors. theta energy: -45.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -750.453043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.453043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.453043 (E_RNA)
where:
Base-Base interactions energy: -381.359
where: short stacking energy: -187.759
Base-Backbone interact. energy: -2.190
local terms energy: -366.904873
where:
bonds (distance) C4'-P energy: -91.461
bonds (distance) P-C4' energy: -101.348
flat angles C4'-P-C4' energy: -90.754
flat angles P-C4'-P energy: -68.102
tors. eta vs tors. theta energy: -15.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -581.314326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.314326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.314326 (E_RNA)
where:
Base-Base interactions energy: -275.606
where: short stacking energy: -164.437
Base-Backbone interact. energy: -1.380
local terms energy: -304.328441
where:
bonds (distance) C4'-P energy: -101.577
bonds (distance) P-C4' energy: -91.081
flat angles C4'-P-C4' energy: -75.145
flat angles P-C4'-P energy: -48.404
tors. eta vs tors. theta energy: 11.879
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: 8
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -2152.751604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.751604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.751604 (E_RNA)
where:
Base-Base interactions energy: -1473.187
where: short stacking energy: -622.332
Base-Backbone interact. energy: -2.308
local terms energy: -677.256021
where:
bonds (distance) C4'-P energy: -118.762
bonds (distance) P-C4' energy: -123.139
flat angles C4'-P-C4' energy: -145.714
flat angles P-C4'-P energy: -93.783
tors. eta vs tors. theta energy: -195.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -2081.756183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.756183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.756183 (E_RNA)
where:
Base-Base interactions energy: -1469.907
where: short stacking energy: -571.745
Base-Backbone interact. energy: -3.207
local terms energy: -608.642286
where:
bonds (distance) C4'-P energy: -111.393
bonds (distance) P-C4' energy: -119.824
flat angles C4'-P-C4' energy: -130.410
flat angles P-C4'-P energy: -76.362
tors. eta vs tors. theta energy: -170.654
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: 437
Temperature: 1.000000
Total energy: -1965.791207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.791207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.791207 (E_RNA)
where:
Base-Base interactions energy: -1360.960
where: short stacking energy: -556.402
Base-Backbone interact. energy: -2.265
local terms energy: -602.565503
where:
bonds (distance) C4'-P energy: -99.390
bonds (distance) P-C4' energy: -114.029
flat angles C4'-P-C4' energy: -132.491
flat angles P-C4'-P energy: -79.512
tors. eta vs tors. theta energy: -177.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -1870.311262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.311262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.311262 (E_RNA)
where:
Base-Base interactions energy: -1277.703
where: short stacking energy: -566.938
Base-Backbone interact. energy: -2.776
local terms energy: -589.832034
where:
bonds (distance) C4'-P energy: -105.757
bonds (distance) P-C4' energy: -114.057
flat angles C4'-P-C4' energy: -126.368
flat angles P-C4'-P energy: -82.989
tors. eta vs tors. theta energy: -160.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -1704.182046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.182046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.182046 (E_RNA)
where:
Base-Base interactions energy: -1181.263
where: short stacking energy: -480.980
Base-Backbone interact. energy: -2.861
local terms energy: -520.058310
where:
bonds (distance) C4'-P energy: -102.274
bonds (distance) P-C4' energy: -101.043
flat angles C4'-P-C4' energy: -106.060
flat angles P-C4'-P energy: -78.844
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: 6, replica: 3
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -1569.759806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.759806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.759806 (E_RNA)
where:
Base-Base interactions energy: -1040.490
where: short stacking energy: -447.126
Base-Backbone interact. energy: -4.056
local terms energy: -525.213328
where:
bonds (distance) C4'-P energy: -101.407
bonds (distance) P-C4' energy: -101.194
flat angles C4'-P-C4' energy: -109.731
flat angles P-C4'-P energy: -81.011
tors. eta vs tors. theta energy: -131.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -1083.668701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.668701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.668701 (E_RNA)
where:
Base-Base interactions energy: -663.246
where: short stacking energy: -289.849
Base-Backbone interact. energy: -0.577
local terms energy: -419.845646
where:
bonds (distance) C4'-P energy: -92.834
bonds (distance) P-C4' energy: -113.870
flat angles C4'-P-C4' energy: -95.834
flat angles P-C4'-P energy: -62.930
tors. eta vs tors. theta energy: -54.377
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: 2
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -1060.619875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.619875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.619875 (E_RNA)
where:
Base-Base interactions energy: -653.228
where: short stacking energy: -321.894
Base-Backbone interact. energy: 7.761
local terms energy: -415.152681
where:
bonds (distance) C4'-P energy: -92.326
bonds (distance) P-C4' energy: -91.795
flat angles C4'-P-C4' energy: -102.601
flat angles P-C4'-P energy: -72.983
tors. eta vs tors. theta energy: -55.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -801.537159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.537159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.537159 (E_RNA)
where:
Base-Base interactions energy: -399.399
where: short stacking energy: -211.201
Base-Backbone interact. energy: 0.362
local terms energy: -402.500525
where:
bonds (distance) C4'-P energy: -118.400
bonds (distance) P-C4' energy: -109.336
flat angles C4'-P-C4' energy: -80.180
flat angles P-C4'-P energy: -50.651
tors. eta vs tors. theta energy: -43.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -563.182666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.182666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.182666 (E_RNA)
where:
Base-Base interactions energy: -249.271
where: short stacking energy: -147.275
Base-Backbone interact. energy: -0.220
local terms energy: -313.691096
where:
bonds (distance) C4'-P energy: -84.633
bonds (distance) P-C4' energy: -110.028
flat angles C4'-P-C4' energy: -88.219
flat angles P-C4'-P energy: -46.048
tors. eta vs tors. theta energy: 15.238
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: 1, replica: 8
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -2167.865945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.865945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.865945 (E_RNA)
where:
Base-Base interactions energy: -1503.997
where: short stacking energy: -635.261
Base-Backbone interact. energy: -4.715
local terms energy: -659.153401
where:
bonds (distance) C4'-P energy: -117.060
bonds (distance) P-C4' energy: -117.612
flat angles C4'-P-C4' energy: -135.062
flat angles P-C4'-P energy: -90.184
tors. eta vs tors. theta energy: -199.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -2080.681941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.681941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.681941 (E_RNA)
where:
Base-Base interactions energy: -1466.028
where: short stacking energy: -591.876
Base-Backbone interact. energy: -1.442
local terms energy: -613.212234
where:
bonds (distance) C4'-P energy: -118.603
bonds (distance) P-C4' energy: -119.478
flat angles C4'-P-C4' energy: -113.218
flat angles P-C4'-P energy: -87.562
tors. eta vs tors. theta energy: -174.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1982.994426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.994426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.994426 (E_RNA)
where:
Base-Base interactions energy: -1378.289
where: short stacking energy: -573.769
Base-Backbone interact. energy: 1.603
local terms energy: -606.308818
where:
bonds (distance) C4'-P energy: -107.523
bonds (distance) P-C4' energy: -108.775
flat angles C4'-P-C4' energy: -135.088
flat angles P-C4'-P energy: -73.112
tors. eta vs tors. theta energy: -181.812
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: 10
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1850.897515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.897515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.897515 (E_RNA)
where:
Base-Base interactions energy: -1294.187
where: short stacking energy: -546.127
Base-Backbone interact. energy: 3.752
local terms energy: -560.463117
where:
bonds (distance) C4'-P energy: -109.076
bonds (distance) P-C4' energy: -92.717
flat angles C4'-P-C4' energy: -120.239
flat angles P-C4'-P energy: -87.783
tors. eta vs tors. theta energy: -150.649
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: 9
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -1756.025426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.025426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.025426 (E_RNA)
where:
Base-Base interactions energy: -1214.492
where: short stacking energy: -505.348
Base-Backbone interact. energy: 1.418
local terms energy: -542.951339
where:
bonds (distance) C4'-P energy: -102.584
bonds (distance) P-C4' energy: -105.041
flat angles C4'-P-C4' energy: -123.625
flat angles P-C4'-P energy: -65.931
tors. eta vs tors. theta energy: -145.770
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: 6, replica: 3
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -1617.096130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.096130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.096130 (E_RNA)
where:
Base-Base interactions energy: -1109.149
where: short stacking energy: -444.606
Base-Backbone interact. energy: 6.361
local terms energy: -514.308887
where:
bonds (distance) C4'-P energy: -97.078
bonds (distance) P-C4' energy: -108.620
flat angles C4'-P-C4' energy: -118.586
flat angles P-C4'-P energy: -75.658
tors. eta vs tors. theta energy: -114.366
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: 1
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -1090.653507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.653507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.653507 (E_RNA)
where:
Base-Base interactions energy: -664.073
where: short stacking energy: -300.431
Base-Backbone interact. energy: 3.089
local terms energy: -429.669351
where:
bonds (distance) C4'-P energy: -93.247
bonds (distance) P-C4' energy: -106.019
flat angles C4'-P-C4' energy: -99.815
flat angles P-C4'-P energy: -65.245
tors. eta vs tors. theta energy: -65.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -961.958336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.958336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.958336 (E_RNA)
where:
Base-Base interactions energy: -556.119
where: short stacking energy: -268.648
Base-Backbone interact. energy: -1.292
local terms energy: -404.547528
where:
bonds (distance) C4'-P energy: -98.914
bonds (distance) P-C4' energy: -102.091
flat angles C4'-P-C4' energy: -88.176
flat angles P-C4'-P energy: -70.645
tors. eta vs tors. theta energy: -44.722
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: 5
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -735.239975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.239975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.239975 (E_RNA)
where:
Base-Base interactions energy: -405.935
where: short stacking energy: -215.514
Base-Backbone interact. energy: 0.878
local terms energy: -330.183677
where:
bonds (distance) C4'-P energy: -59.133
bonds (distance) P-C4' energy: -99.357
flat angles C4'-P-C4' energy: -104.752
flat angles P-C4'-P energy: -45.622
tors. eta vs tors. theta energy: -21.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -582.821435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.821435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.821435 (E_RNA)
where:
Base-Base interactions energy: -288.642
where: short stacking energy: -179.398
Base-Backbone interact. energy: -3.290
local terms energy: -290.889628
where:
bonds (distance) C4'-P energy: -75.416
bonds (distance) P-C4' energy: -86.878
flat angles C4'-P-C4' energy: -89.992
flat angles P-C4'-P energy: -56.076
tors. eta vs tors. theta energy: 17.472
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: 1, replica: 8
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -2153.708407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.708407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.708407 (E_RNA)
where:
Base-Base interactions energy: -1484.019
where: short stacking energy: -625.642
Base-Backbone interact. energy: -0.057
local terms energy: -669.632559
where:
bonds (distance) C4'-P energy: -120.851
bonds (distance) P-C4' energy: -117.049
flat angles C4'-P-C4' energy: -144.074
flat angles P-C4'-P energy: -89.883
tors. eta vs tors. theta energy: -197.777
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: 4
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -2093.846250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.846250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.846250 (E_RNA)
where:
Base-Base interactions energy: -1473.647
where: short stacking energy: -580.983
Base-Backbone interact. energy: -5.408
local terms energy: -614.790874
where:
bonds (distance) C4'-P energy: -109.273
bonds (distance) P-C4' energy: -119.487
flat angles C4'-P-C4' energy: -131.394
flat angles P-C4'-P energy: -87.118
tors. eta vs tors. theta energy: -167.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1996.111512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.111512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.111512 (E_RNA)
where:
Base-Base interactions energy: -1371.757
where: short stacking energy: -575.019
Base-Backbone interact. energy: 0.057
local terms energy: -624.411239
where:
bonds (distance) C4'-P energy: -117.146
bonds (distance) P-C4' energy: -110.588
flat angles C4'-P-C4' energy: -133.775
flat angles P-C4'-P energy: -81.762
tors. eta vs tors. theta energy: -181.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -1866.832203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.832203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.832203 (E_RNA)
where:
Base-Base interactions energy: -1289.032
where: short stacking energy: -546.575
Base-Backbone interact. energy: -0.254
local terms energy: -577.546982
where:
bonds (distance) C4'-P energy: -95.121
bonds (distance) P-C4' energy: -102.648
flat angles C4'-P-C4' energy: -122.158
flat angles P-C4'-P energy: -93.300
tors. eta vs tors. theta energy: -164.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -1755.878175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.878175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.878175 (E_RNA)
where:
Base-Base interactions energy: -1205.846
where: short stacking energy: -496.872
Base-Backbone interact. energy: -0.269
local terms energy: -549.763022
where:
bonds (distance) C4'-P energy: -99.385
bonds (distance) P-C4' energy: -121.783
flat angles C4'-P-C4' energy: -113.817
flat angles P-C4'-P energy: -71.738
tors. eta vs tors. theta energy: -143.040
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: 3
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1583.851996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.851996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.851996 (E_RNA)
where:
Base-Base interactions energy: -1057.834
where: short stacking energy: -443.227
Base-Backbone interact. energy: 5.233
local terms energy: -531.251188
where:
bonds (distance) C4'-P energy: -102.918
bonds (distance) P-C4' energy: -109.293
flat angles C4'-P-C4' energy: -122.668
flat angles P-C4'-P energy: -73.746
tors. eta vs tors. theta energy: -122.627
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: 1
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -1120.145362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.145362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.145362 (E_RNA)
where:
Base-Base interactions energy: -682.953
where: short stacking energy: -296.775
Base-Backbone interact. energy: 2.955
local terms energy: -440.147528
where:
bonds (distance) C4'-P energy: -105.196
bonds (distance) P-C4' energy: -103.492
flat angles C4'-P-C4' energy: -109.357
flat angles P-C4'-P energy: -74.030
tors. eta vs tors. theta energy: -48.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -949.210448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.210448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.210448 (E_RNA)
where:
Base-Base interactions energy: -572.760
where: short stacking energy: -266.278
Base-Backbone interact. energy: 5.019
local terms energy: -381.469603
where:
bonds (distance) C4'-P energy: -88.270
bonds (distance) P-C4' energy: -97.613
flat angles C4'-P-C4' energy: -100.295
flat angles P-C4'-P energy: -64.846
tors. eta vs tors. theta energy: -30.446
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: 439
Temperature: 1.300000
Total energy: -720.810903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.810903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.810903 (E_RNA)
where:
Base-Base interactions energy: -344.513
where: short stacking energy: -166.282
Base-Backbone interact. energy: 2.550
local terms energy: -378.848010
where:
bonds (distance) C4'-P energy: -89.206
bonds (distance) P-C4' energy: -124.805
flat angles C4'-P-C4' energy: -101.681
flat angles P-C4'-P energy: -52.392
tors. eta vs tors. theta energy: -10.765
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: 6
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -567.046232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.046232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.046232 (E_RNA)
where:
Base-Base interactions energy: -245.784
where: short stacking energy: -129.237
Base-Backbone interact. energy: 0.810
local terms energy: -322.072240
where:
bonds (distance) C4'-P energy: -93.467
bonds (distance) P-C4' energy: -90.964
flat angles C4'-P-C4' energy: -90.181
flat angles P-C4'-P energy: -51.992
tors. eta vs tors. theta energy: 4.531
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: 8
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -2162.649274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.649274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.649274 (E_RNA)
where:
Base-Base interactions energy: -1499.520
where: short stacking energy: -621.935
Base-Backbone interact. energy: -2.674
local terms energy: -660.455118
where:
bonds (distance) C4'-P energy: -112.137
bonds (distance) P-C4' energy: -118.969
flat angles C4'-P-C4' energy: -131.756
flat angles P-C4'-P energy: -95.962
tors. eta vs tors. theta energy: -201.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -2058.408768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.408768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.408768 (E_RNA)
where:
Base-Base interactions energy: -1417.156
where: short stacking energy: -580.489
Base-Backbone interact. energy: -1.530
local terms energy: -639.723057
where:
bonds (distance) C4'-P energy: -116.826
bonds (distance) P-C4' energy: -121.809
flat angles C4'-P-C4' energy: -132.236
flat angles P-C4'-P energy: -92.637
tors. eta vs tors. theta energy: -176.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -2009.879648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.879648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.879648 (E_RNA)
where:
Base-Base interactions energy: -1387.731
where: short stacking energy: -581.665
Base-Backbone interact. energy: 0.140
local terms energy: -622.288418
where:
bonds (distance) C4'-P energy: -108.973
bonds (distance) P-C4' energy: -114.470
flat angles C4'-P-C4' energy: -128.845
flat angles P-C4'-P energy: -87.201
tors. eta vs tors. theta energy: -182.800
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: 10
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -1849.509100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.509100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.509100 (E_RNA)
where:
Base-Base interactions energy: -1277.488
where: short stacking energy: -545.477
Base-Backbone interact. energy: -1.263
local terms energy: -570.758601
where:
bonds (distance) C4'-P energy: -113.205
bonds (distance) P-C4' energy: -122.251
flat angles C4'-P-C4' energy: -108.084
flat angles P-C4'-P energy: -75.113
tors. eta vs tors. theta energy: -152.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -1759.254904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.254904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.254904 (E_RNA)
where:
Base-Base interactions energy: -1205.881
where: short stacking energy: -493.075
Base-Backbone interact. energy: -1.434
local terms energy: -551.940268
where:
bonds (distance) C4'-P energy: -91.820
bonds (distance) P-C4' energy: -113.336
flat angles C4'-P-C4' energy: -122.101
flat angles P-C4'-P energy: -81.745
tors. eta vs tors. theta energy: -142.939
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: 3
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1527.702082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.702082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.702082 (E_RNA)
where:
Base-Base interactions energy: -1024.257
where: short stacking energy: -431.373
Base-Backbone interact. energy: -2.275
local terms energy: -501.169583
where:
bonds (distance) C4'-P energy: -104.358
bonds (distance) P-C4' energy: -87.325
flat angles C4'-P-C4' energy: -118.381
flat angles P-C4'-P energy: -63.996
tors. eta vs tors. theta energy: -127.109
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: 7, replica: 1
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1134.368900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.368900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.368900 (E_RNA)
where:
Base-Base interactions energy: -690.603
where: short stacking energy: -323.980
Base-Backbone interact. energy: 1.213
local terms energy: -444.979394
where:
bonds (distance) C4'-P energy: -111.280
bonds (distance) P-C4' energy: -88.400
flat angles C4'-P-C4' energy: -115.787
flat angles P-C4'-P energy: -49.062
tors. eta vs tors. theta energy: -80.450
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: 2
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -886.450781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.450781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.450781 (E_RNA)
where:
Base-Base interactions energy: -520.053
where: short stacking energy: -246.888
Base-Backbone interact. energy: -1.172
local terms energy: -365.225563
where:
bonds (distance) C4'-P energy: -81.209
bonds (distance) P-C4' energy: -96.482
flat angles C4'-P-C4' energy: -91.676
flat angles P-C4'-P energy: -65.903
tors. eta vs tors. theta energy: -29.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -713.657133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.657133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.657133 (E_RNA)
where:
Base-Base interactions energy: -338.432
where: short stacking energy: -181.049
Base-Backbone interact. energy: -0.805
local terms energy: -374.420393
where:
bonds (distance) C4'-P energy: -103.962
bonds (distance) P-C4' energy: -101.825
flat angles C4'-P-C4' energy: -87.057
flat angles P-C4'-P energy: -57.188
tors. eta vs tors. theta energy: -24.388
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: 6
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -502.346733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.346733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.346733 (E_RNA)
where:
Base-Base interactions energy: -209.544
where: short stacking energy: -146.423
Base-Backbone interact. energy: 0.725
local terms energy: -293.527201
where:
bonds (distance) C4'-P energy: -93.241
bonds (distance) P-C4' energy: -85.091
flat angles C4'-P-C4' energy: -96.248
flat angles P-C4'-P energy: -37.379
tors. eta vs tors. theta energy: 18.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -2154.209077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.209077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.209077 (E_RNA)
where:
Base-Base interactions energy: -1502.452
where: short stacking energy: -608.815
Base-Backbone interact. energy: 0.512
local terms energy: -652.269132
where:
bonds (distance) C4'-P energy: -119.837
bonds (distance) P-C4' energy: -120.052
flat angles C4'-P-C4' energy: -137.120
flat angles P-C4'-P energy: -89.268
tors. eta vs tors. theta energy: -185.993
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: 4
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -2026.486465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.486465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.486465 (E_RNA)
where:
Base-Base interactions energy: -1420.955
where: short stacking energy: -600.947
Base-Backbone interact. energy: -2.847
local terms energy: -602.684915
where:
bonds (distance) C4'-P energy: -111.213
bonds (distance) P-C4' energy: -107.275
flat angles C4'-P-C4' energy: -141.886
flat angles P-C4'-P energy: -82.839
tors. eta vs tors. theta energy: -159.473
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: 7
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1975.953837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.953837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.953837 (E_RNA)
where:
Base-Base interactions energy: -1356.114
where: short stacking energy: -588.555
Base-Backbone interact. energy: -0.988
local terms energy: -618.852055
where:
bonds (distance) C4'-P energy: -112.546
bonds (distance) P-C4' energy: -113.219
flat angles C4'-P-C4' energy: -128.019
flat angles P-C4'-P energy: -84.933
tors. eta vs tors. theta energy: -180.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -1848.649600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.649600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.649600 (E_RNA)
where:
Base-Base interactions energy: -1296.111
where: short stacking energy: -551.294
Base-Backbone interact. energy: -0.466
local terms energy: -552.073198
where:
bonds (distance) C4'-P energy: -98.213
bonds (distance) P-C4' energy: -103.814
flat angles C4'-P-C4' energy: -121.995
flat angles P-C4'-P energy: -72.879
tors. eta vs tors. theta energy: -155.172
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: 9
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -1720.492934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.492934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.492934 (E_RNA)
where:
Base-Base interactions energy: -1157.686
where: short stacking energy: -487.348
Base-Backbone interact. energy: -1.277
local terms energy: -561.529991
where:
bonds (distance) C4'-P energy: -105.085
bonds (distance) P-C4' energy: -118.315
flat angles C4'-P-C4' energy: -119.538
flat angles P-C4'-P energy: -82.587
tors. eta vs tors. theta energy: -136.005
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: 6, replica: 3
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -1513.288724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.288724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.288724 (E_RNA)
where:
Base-Base interactions energy: -1035.776
where: short stacking energy: -416.503
Base-Backbone interact. energy: 1.911
local terms energy: -479.424134
where:
bonds (distance) C4'-P energy: -103.159
bonds (distance) P-C4' energy: -100.051
flat angles C4'-P-C4' energy: -103.425
flat angles P-C4'-P energy: -61.059
tors. eta vs tors. theta energy: -111.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -1114.788862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.788862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.788862 (E_RNA)
where:
Base-Base interactions energy: -677.223
where: short stacking energy: -312.229
Base-Backbone interact. energy: 2.272
local terms energy: -439.837954
where:
bonds (distance) C4'-P energy: -107.767
bonds (distance) P-C4' energy: -108.060
flat angles C4'-P-C4' energy: -101.076
flat angles P-C4'-P energy: -42.130
tors. eta vs tors. theta energy: -80.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -939.306450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.306450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.306450 (E_RNA)
where:
Base-Base interactions energy: -555.641
where: short stacking energy: -282.297
Base-Backbone interact. energy: 3.256
local terms energy: -386.921097
where:
bonds (distance) C4'-P energy: -101.337
bonds (distance) P-C4' energy: -74.919
flat angles C4'-P-C4' energy: -107.587
flat angles P-C4'-P energy: -54.467
tors. eta vs tors. theta energy: -48.611
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: 5
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -777.520148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.520148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.520148 (E_RNA)
where:
Base-Base interactions energy: -426.485
where: short stacking energy: -245.016
Base-Backbone interact. energy: -0.768
local terms energy: -350.267659
where:
bonds (distance) C4'-P energy: -99.836
bonds (distance) P-C4' energy: -96.469
flat angles C4'-P-C4' energy: -77.285
flat angles P-C4'-P energy: -55.870
tors. eta vs tors. theta energy: -20.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -513.712046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.712046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.712046 (E_RNA)
where:
Base-Base interactions energy: -239.709
where: short stacking energy: -138.330
Base-Backbone interact. energy: 3.735
local terms energy: -277.738011
where:
bonds (distance) C4'-P energy: -92.544
bonds (distance) P-C4' energy: -92.974
flat angles C4'-P-C4' energy: -67.543
flat angles P-C4'-P energy: -54.351
tors. eta vs tors. theta energy: 29.674
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: 1, replica: 8
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -2171.483823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.483823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.483823 (E_RNA)
where:
Base-Base interactions energy: -1500.433
where: short stacking energy: -623.146
Base-Backbone interact. energy: -0.625
local terms energy: -670.425345
where:
bonds (distance) C4'-P energy: -122.633
bonds (distance) P-C4' energy: -125.273
flat angles C4'-P-C4' energy: -141.845
flat angles P-C4'-P energy: -86.199
tors. eta vs tors. theta energy: -194.475
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: 4
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -2058.737145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.737145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.737145 (E_RNA)
where:
Base-Base interactions energy: -1435.696
where: short stacking energy: -581.200
Base-Backbone interact. energy: -1.879
local terms energy: -621.161742
where:
bonds (distance) C4'-P energy: -107.720
bonds (distance) P-C4' energy: -111.063
flat angles C4'-P-C4' energy: -140.768
flat angles P-C4'-P energy: -87.813
tors. eta vs tors. theta energy: -173.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -1965.168550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.168550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.168550 (E_RNA)
where:
Base-Base interactions energy: -1322.773
where: short stacking energy: -584.975
Base-Backbone interact. energy: -3.451
local terms energy: -638.944784
where:
bonds (distance) C4'-P energy: -119.241
bonds (distance) P-C4' energy: -123.150
flat angles C4'-P-C4' energy: -133.993
flat angles P-C4'-P energy: -83.694
tors. eta vs tors. theta energy: -178.867
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: 10
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -1838.588299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.588299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.588299 (E_RNA)
where:
Base-Base interactions energy: -1261.126
where: short stacking energy: -530.039
Base-Backbone interact. energy: 4.416
local terms energy: -581.878879
where:
bonds (distance) C4'-P energy: -104.606
bonds (distance) P-C4' energy: -125.048
flat angles C4'-P-C4' energy: -119.411
flat angles P-C4'-P energy: -75.016
tors. eta vs tors. theta energy: -157.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -1731.001614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.001614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.001614 (E_RNA)
where:
Base-Base interactions energy: -1196.904
where: short stacking energy: -510.916
Base-Backbone interact. energy: 2.908
local terms energy: -537.005564
where:
bonds (distance) C4'-P energy: -99.104
bonds (distance) P-C4' energy: -106.587
flat angles C4'-P-C4' energy: -109.273
flat angles P-C4'-P energy: -76.557
tors. eta vs tors. theta energy: -145.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -1492.506884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.506884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.506884 (E_RNA)
where:
Base-Base interactions energy: -991.465
where: short stacking energy: -421.549
Base-Backbone interact. energy: -4.639
local terms energy: -496.402598
where:
bonds (distance) C4'-P energy: -98.373
bonds (distance) P-C4' energy: -95.404
flat angles C4'-P-C4' energy: -118.347
flat angles P-C4'-P energy: -75.421
tors. eta vs tors. theta energy: -108.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -1147.114034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.114034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.114034 (E_RNA)
where:
Base-Base interactions energy: -730.981
where: short stacking energy: -338.791
Base-Backbone interact. energy: -2.828
local terms energy: -413.305312
where:
bonds (distance) C4'-P energy: -89.341
bonds (distance) P-C4' energy: -86.543
flat angles C4'-P-C4' energy: -101.829
flat angles P-C4'-P energy: -56.740
tors. eta vs tors. theta energy: -78.852
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: 2
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -947.661808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.661808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.661808 (E_RNA)
where:
Base-Base interactions energy: -551.221
where: short stacking energy: -277.101
Base-Backbone interact. energy: -0.707
local terms energy: -395.734196
where:
bonds (distance) C4'-P energy: -78.513
bonds (distance) P-C4' energy: -112.012
flat angles C4'-P-C4' energy: -95.026
flat angles P-C4'-P energy: -61.529
tors. eta vs tors. theta energy: -48.655
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: 442
Temperature: 1.300000
Total energy: -745.727584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.727584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.727584 (E_RNA)
where:
Base-Base interactions energy: -382.882
where: short stacking energy: -218.260
Base-Backbone interact. energy: -2.777
local terms energy: -360.068595
where:
bonds (distance) C4'-P energy: -91.263
bonds (distance) P-C4' energy: -104.855
flat angles C4'-P-C4' energy: -82.544
flat angles P-C4'-P energy: -56.693
tors. eta vs tors. theta energy: -24.713
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: 10, replica: 6
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -511.703344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.703344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.703344 (E_RNA)
where:
Base-Base interactions energy: -223.578
where: short stacking energy: -151.384
Base-Backbone interact. energy: 1.213
local terms energy: -289.338100
where:
bonds (distance) C4'-P energy: -90.612
bonds (distance) P-C4' energy: -111.496
flat angles C4'-P-C4' energy: -78.031
flat angles P-C4'-P energy: -33.306
tors. eta vs tors. theta energy: 24.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -2166.964906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.964906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.964906 (E_RNA)
where:
Base-Base interactions energy: -1517.167
where: short stacking energy: -635.171
Base-Backbone interact. energy: -4.057
local terms energy: -645.741083
where:
bonds (distance) C4'-P energy: -106.675
bonds (distance) P-C4' energy: -109.029
flat angles C4'-P-C4' energy: -145.928
flat angles P-C4'-P energy: -88.598
tors. eta vs tors. theta energy: -195.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -2058.452289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.452289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.452289 (E_RNA)
where:
Base-Base interactions energy: -1440.862
where: short stacking energy: -581.356
Base-Backbone interact. energy: -0.961
local terms energy: -616.628891
where:
bonds (distance) C4'-P energy: -118.029
bonds (distance) P-C4' energy: -111.020
flat angles C4'-P-C4' energy: -125.163
flat angles P-C4'-P energy: -93.276
tors. eta vs tors. theta energy: -169.140
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: 3, replica: 7
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -1953.255976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.255976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.255976 (E_RNA)
where:
Base-Base interactions energy: -1348.055
where: short stacking energy: -581.831
Base-Backbone interact. energy: -1.541
local terms energy: -603.659350
where:
bonds (distance) C4'-P energy: -117.681
bonds (distance) P-C4' energy: -95.402
flat angles C4'-P-C4' energy: -123.397
flat angles P-C4'-P energy: -89.821
tors. eta vs tors. theta energy: -177.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -1877.576574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.576574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.576574 (E_RNA)
where:
Base-Base interactions energy: -1314.977
where: short stacking energy: -551.130
Base-Backbone interact. energy: 0.672
local terms energy: -563.271358
where:
bonds (distance) C4'-P energy: -106.888
bonds (distance) P-C4' energy: -91.817
flat angles C4'-P-C4' energy: -126.113
flat angles P-C4'-P energy: -69.705
tors. eta vs tors. theta energy: -168.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -1753.963192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.963192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.963192 (E_RNA)
where:
Base-Base interactions energy: -1199.326
where: short stacking energy: -495.711
Base-Backbone interact. energy: -0.978
local terms energy: -553.658696
where:
bonds (distance) C4'-P energy: -109.232
bonds (distance) P-C4' energy: -95.262
flat angles C4'-P-C4' energy: -127.354
flat angles P-C4'-P energy: -77.199
tors. eta vs tors. theta energy: -144.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1505.912844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.912844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.912844 (E_RNA)
where:
Base-Base interactions energy: -1007.904
where: short stacking energy: -451.710
Base-Backbone interact. energy: 0.930
local terms energy: -498.939757
where:
bonds (distance) C4'-P energy: -96.031
bonds (distance) P-C4' energy: -111.408
flat angles C4'-P-C4' energy: -117.724
flat angles P-C4'-P energy: -71.713
tors. eta vs tors. theta energy: -102.063
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: 1
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1112.613765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.613765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.613765 (E_RNA)
where:
Base-Base interactions energy: -686.675
where: short stacking energy: -310.135
Base-Backbone interact. energy: -1.760
local terms energy: -424.179258
where:
bonds (distance) C4'-P energy: -97.179
bonds (distance) P-C4' energy: -97.979
flat angles C4'-P-C4' energy: -100.683
flat angles P-C4'-P energy: -65.091
tors. eta vs tors. theta energy: -63.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -944.678312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.678312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.678312 (E_RNA)
where:
Base-Base interactions energy: -564.894
where: short stacking energy: -272.110
Base-Backbone interact. energy: -1.943
local terms energy: -377.841540
where:
bonds (distance) C4'-P energy: -100.984
bonds (distance) P-C4' energy: -113.254
flat angles C4'-P-C4' energy: -83.290
flat angles P-C4'-P energy: -41.389
tors. eta vs tors. theta energy: -38.925
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: 5
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -759.044938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.044938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.044938 (E_RNA)
where:
Base-Base interactions energy: -385.410
where: short stacking energy: -202.516
Base-Backbone interact. energy: -2.029
local terms energy: -371.606163
where:
bonds (distance) C4'-P energy: -94.790
bonds (distance) P-C4' energy: -111.487
flat angles C4'-P-C4' energy: -98.336
flat angles P-C4'-P energy: -38.497
tors. eta vs tors. theta energy: -28.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -529.391698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.391698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.391698 (E_RNA)
where:
Base-Base interactions energy: -223.770
where: short stacking energy: -137.953
Base-Backbone interact. energy: 5.493
local terms energy: -311.115233
where:
bonds (distance) C4'-P energy: -88.776
bonds (distance) P-C4' energy: -92.618
flat angles C4'-P-C4' energy: -90.034
flat angles P-C4'-P energy: -48.065
tors. eta vs tors. theta energy: 8.377
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: 8
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -2155.523978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.523978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.523978 (E_RNA)
where:
Base-Base interactions energy: -1488.045
where: short stacking energy: -621.529
Base-Backbone interact. energy: -0.141
local terms energy: -667.338481
where:
bonds (distance) C4'-P energy: -113.180
bonds (distance) P-C4' energy: -118.609
flat angles C4'-P-C4' energy: -148.407
flat angles P-C4'-P energy: -98.191
tors. eta vs tors. theta energy: -188.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -2069.885752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.885752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.885752 (E_RNA)
where:
Base-Base interactions energy: -1477.401
where: short stacking energy: -586.691
Base-Backbone interact. energy: -0.704
local terms energy: -591.780854
where:
bonds (distance) C4'-P energy: -105.814
bonds (distance) P-C4' energy: -95.882
flat angles C4'-P-C4' energy: -131.639
flat angles P-C4'-P energy: -89.700
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: 10
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -1898.455883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.455883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.455883 (E_RNA)
where:
Base-Base interactions energy: -1326.150
where: short stacking energy: -552.954
Base-Backbone interact. energy: -0.741
local terms energy: -571.564553
where:
bonds (distance) C4'-P energy: -93.630
bonds (distance) P-C4' energy: -98.977
flat angles C4'-P-C4' energy: -122.546
flat angles P-C4'-P energy: -99.608
tors. eta vs tors. theta energy: -156.803
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: 7
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -1923.197301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.197301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.197301 (E_RNA)
where:
Base-Base interactions energy: -1331.357
where: short stacking energy: -555.868
Base-Backbone interact. energy: -0.515
local terms energy: -591.325509
where:
bonds (distance) C4'-P energy: -101.863
bonds (distance) P-C4' energy: -117.310
flat angles C4'-P-C4' energy: -126.599
flat angles P-C4'-P energy: -70.491
tors. eta vs tors. theta energy: -175.062
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: 5, replica: 9
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -1761.060823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.060823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.060823 (E_RNA)
where:
Base-Base interactions energy: -1193.327
where: short stacking energy: -494.781
Base-Backbone interact. energy: -4.036
local terms energy: -563.697842
where:
bonds (distance) C4'-P energy: -102.281
bonds (distance) P-C4' energy: -111.718
flat angles C4'-P-C4' energy: -126.802
flat angles P-C4'-P energy: -61.462
tors. eta vs tors. theta energy: -161.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -1551.735539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.735539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.735539 (E_RNA)
where:
Base-Base interactions energy: -1005.161
where: short stacking energy: -437.612
Base-Backbone interact. energy: -1.842
local terms energy: -544.731851
where:
bonds (distance) C4'-P energy: -96.905
bonds (distance) P-C4' energy: -106.192
flat angles C4'-P-C4' energy: -118.770
flat angles P-C4'-P energy: -83.224
tors. eta vs tors. theta energy: -139.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1104.444738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.444738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.444738 (E_RNA)
where:
Base-Base interactions energy: -699.572
where: short stacking energy: -320.884
Base-Backbone interact. energy: 2.694
local terms energy: -407.566157
where:
bonds (distance) C4'-P energy: -94.677
bonds (distance) P-C4' energy: -84.364
flat angles C4'-P-C4' energy: -104.191
flat angles P-C4'-P energy: -60.980
tors. eta vs tors. theta energy: -63.354
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: 2
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -917.865610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.865610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.865610 (E_RNA)
where:
Base-Base interactions energy: -530.772
where: short stacking energy: -253.332
Base-Backbone interact. energy: 0.927
local terms energy: -388.020451
where:
bonds (distance) C4'-P energy: -98.612
bonds (distance) P-C4' energy: -93.807
flat angles C4'-P-C4' energy: -102.959
flat angles P-C4'-P energy: -70.240
tors. eta vs tors. theta energy: -22.403
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: 5
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -764.972171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.972171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.972171 (E_RNA)
where:
Base-Base interactions energy: -404.266
where: short stacking energy: -221.600
Base-Backbone interact. energy: -0.134
local terms energy: -360.572561
where:
bonds (distance) C4'-P energy: -102.683
bonds (distance) P-C4' energy: -93.856
flat angles C4'-P-C4' energy: -87.057
flat angles P-C4'-P energy: -45.496
tors. eta vs tors. theta energy: -31.481
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: 444
Temperature: 1.350000
Total energy: -553.938240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.938240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.938240 (E_RNA)
where:
Base-Base interactions energy: -239.797
where: short stacking energy: -145.123
Base-Backbone interact. energy: -0.524
local terms energy: -313.616792
where:
bonds (distance) C4'-P energy: -85.922
bonds (distance) P-C4' energy: -84.121
flat angles C4'-P-C4' energy: -91.697
flat angles P-C4'-P energy: -56.043
tors. eta vs tors. theta energy: 4.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -2160.924600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.924600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.924600 (E_RNA)
where:
Base-Base interactions energy: -1530.916
where: short stacking energy: -650.772
Base-Backbone interact. energy: 1.785
local terms energy: -631.793821
where:
bonds (distance) C4'-P energy: -110.806
bonds (distance) P-C4' energy: -113.794
flat angles C4'-P-C4' energy: -130.020
flat angles P-C4'-P energy: -87.578
tors. eta vs tors. theta energy: -189.596
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: 4
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -2099.894342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.894342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.894342 (E_RNA)
where:
Base-Base interactions energy: -1455.397
where: short stacking energy: -607.966
Base-Backbone interact. energy: -1.068
local terms energy: -643.428793
where:
bonds (distance) C4'-P energy: -119.813
bonds (distance) P-C4' energy: -114.161
flat angles C4'-P-C4' energy: -128.492
flat angles P-C4'-P energy: -101.980
tors. eta vs tors. theta energy: -178.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1901.575197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.575197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.575197 (E_RNA)
where:
Base-Base interactions energy: -1294.014
where: short stacking energy: -540.313
Base-Backbone interact. energy: -4.161
local terms energy: -603.399538
where:
bonds (distance) C4'-P energy: -102.600
bonds (distance) P-C4' energy: -112.039
flat angles C4'-P-C4' energy: -141.131
flat angles P-C4'-P energy: -74.783
tors. eta vs tors. theta energy: -172.847
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: 4, replica: 7
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -1890.712942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.712942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.712942 (E_RNA)
where:
Base-Base interactions energy: -1288.175
where: short stacking energy: -569.605
Base-Backbone interact. energy: -1.716
local terms energy: -600.822458
where:
bonds (distance) C4'-P energy: -105.369
bonds (distance) P-C4' energy: -109.336
flat angles C4'-P-C4' energy: -132.629
flat angles P-C4'-P energy: -91.864
tors. eta vs tors. theta energy: -161.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -1731.137429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.137429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.137429 (E_RNA)
where:
Base-Base interactions energy: -1194.996
where: short stacking energy: -478.516
Base-Backbone interact. energy: -2.745
local terms energy: -533.397216
where:
bonds (distance) C4'-P energy: -106.507
bonds (distance) P-C4' energy: -103.114
flat angles C4'-P-C4' energy: -106.303
flat angles P-C4'-P energy: -78.204
tors. eta vs tors. theta energy: -139.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1549.783292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.783292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.783292 (E_RNA)
where:
Base-Base interactions energy: -1049.213
where: short stacking energy: -418.779
Base-Backbone interact. energy: -0.425
local terms energy: -500.144831
where:
bonds (distance) C4'-P energy: -91.471
bonds (distance) P-C4' energy: -96.071
flat angles C4'-P-C4' energy: -111.707
flat angles P-C4'-P energy: -85.572
tors. eta vs tors. theta energy: -115.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -1078.674428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.674428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.674428 (E_RNA)
where:
Base-Base interactions energy: -663.720
where: short stacking energy: -316.523
Base-Backbone interact. energy: -0.614
local terms energy: -414.340235
where:
bonds (distance) C4'-P energy: -96.178
bonds (distance) P-C4' energy: -101.099
flat angles C4'-P-C4' energy: -92.145
flat angles P-C4'-P energy: -55.148
tors. eta vs tors. theta energy: -69.770
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: 8, replica: 2
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -964.531889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.531889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.531889 (E_RNA)
where:
Base-Base interactions energy: -577.453
where: short stacking energy: -315.598
Base-Backbone interact. energy: 1.006
local terms energy: -388.084355
where:
bonds (distance) C4'-P energy: -80.813
bonds (distance) P-C4' energy: -98.352
flat angles C4'-P-C4' energy: -94.706
flat angles P-C4'-P energy: -57.030
tors. eta vs tors. theta energy: -57.184
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: 5
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -710.502792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.502792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.502792 (E_RNA)
where:
Base-Base interactions energy: -372.184
where: short stacking energy: -184.755
Base-Backbone interact. energy: 3.429
local terms energy: -341.747594
where:
bonds (distance) C4'-P energy: -104.266
bonds (distance) P-C4' energy: -111.258
flat angles C4'-P-C4' energy: -83.244
flat angles P-C4'-P energy: -41.837
tors. eta vs tors. theta energy: -1.142
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: 6
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -548.103151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.103151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.103151 (E_RNA)
where:
Base-Base interactions energy: -217.823
where: short stacking energy: -123.117
Base-Backbone interact. energy: 0.997
local terms energy: -331.277216
where:
bonds (distance) C4'-P energy: -92.388
bonds (distance) P-C4' energy: -122.939
flat angles C4'-P-C4' energy: -80.110
flat angles P-C4'-P energy: -52.833
tors. eta vs tors. theta energy: 16.993
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: 8
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -2171.815716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.815716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.815716 (E_RNA)
where:
Base-Base interactions energy: -1519.788
where: short stacking energy: -653.050
Base-Backbone interact. energy: -3.006
local terms energy: -649.022000
where:
bonds (distance) C4'-P energy: -110.810
bonds (distance) P-C4' energy: -115.804
flat angles C4'-P-C4' energy: -141.343
flat angles P-C4'-P energy: -85.971
tors. eta vs tors. theta energy: -195.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -2061.523340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.523340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.523340 (E_RNA)
where:
Base-Base interactions energy: -1428.921
where: short stacking energy: -584.544
Base-Backbone interact. energy: 6.438
local terms energy: -639.041284
where:
bonds (distance) C4'-P energy: -112.230
bonds (distance) P-C4' energy: -126.516
flat angles C4'-P-C4' energy: -134.914
flat angles P-C4'-P energy: -84.303
tors. eta vs tors. theta energy: -181.079
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: 10
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -1917.266743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.266743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.266743 (E_RNA)
where:
Base-Base interactions energy: -1311.691
where: short stacking energy: -549.199
Base-Backbone interact. energy: -0.229
local terms energy: -605.346301
where:
bonds (distance) C4'-P energy: -104.509
bonds (distance) P-C4' energy: -113.379
flat angles C4'-P-C4' energy: -132.396
flat angles P-C4'-P energy: -88.387
tors. eta vs tors. theta energy: -166.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -1932.938260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.938260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.938260 (E_RNA)
where:
Base-Base interactions energy: -1327.704
where: short stacking energy: -574.633
Base-Backbone interact. energy: -2.629
local terms energy: -602.605751
where:
bonds (distance) C4'-P energy: -101.495
bonds (distance) P-C4' energy: -106.604
flat angles C4'-P-C4' energy: -125.758
flat angles P-C4'-P energy: -85.424
tors. eta vs tors. theta energy: -183.324
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: 9
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -1754.164127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.164127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.164127 (E_RNA)
where:
Base-Base interactions energy: -1198.542
where: short stacking energy: -492.392
Base-Backbone interact. energy: -1.800
local terms energy: -553.822075
where:
bonds (distance) C4'-P energy: -117.311
bonds (distance) P-C4' energy: -102.192
flat angles C4'-P-C4' energy: -108.572
flat angles P-C4'-P energy: -89.944
tors. eta vs tors. theta energy: -135.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -1573.212496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.212496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.212496 (E_RNA)
where:
Base-Base interactions energy: -1035.027
where: short stacking energy: -438.688
Base-Backbone interact. energy: -2.180
local terms energy: -536.005489
where:
bonds (distance) C4'-P energy: -112.410
bonds (distance) P-C4' energy: -112.609
flat angles C4'-P-C4' energy: -106.396
flat angles P-C4'-P energy: -67.851
tors. eta vs tors. theta energy: -136.739
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: 7, replica: 1
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -1064.388939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.388939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.388939 (E_RNA)
where:
Base-Base interactions energy: -651.883
where: short stacking energy: -315.422
Base-Backbone interact. energy: -0.942
local terms energy: -411.563942
where:
bonds (distance) C4'-P energy: -106.861
bonds (distance) P-C4' energy: -100.967
flat angles C4'-P-C4' energy: -88.651
flat angles P-C4'-P energy: -50.132
tors. eta vs tors. theta energy: -64.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -981.897527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.897527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.897527 (E_RNA)
where:
Base-Base interactions energy: -578.286
where: short stacking energy: -302.263
Base-Backbone interact. energy: -1.392
local terms energy: -402.219796
where:
bonds (distance) C4'-P energy: -85.763
bonds (distance) P-C4' energy: -101.287
flat angles C4'-P-C4' energy: -87.333
flat angles P-C4'-P energy: -61.036
tors. eta vs tors. theta energy: -66.800
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: 9, replica: 5
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -682.704125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.704125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.704125 (E_RNA)
where:
Base-Base interactions energy: -363.345
where: short stacking energy: -188.301
Base-Backbone interact. energy: -1.384
local terms energy: -317.974706
where:
bonds (distance) C4'-P energy: -82.530
bonds (distance) P-C4' energy: -74.143
flat angles C4'-P-C4' energy: -90.393
flat angles P-C4'-P energy: -61.240
tors. eta vs tors. theta energy: -9.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -527.843481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.843481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.843481 (E_RNA)
where:
Base-Base interactions energy: -197.444
where: short stacking energy: -133.575
Base-Backbone interact. energy: 1.147
local terms energy: -331.545892
where:
bonds (distance) C4'-P energy: -69.645
bonds (distance) P-C4' energy: -113.115
flat angles C4'-P-C4' energy: -97.045
flat angles P-C4'-P energy: -60.466
tors. eta vs tors. theta energy: 8.726
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: 8
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -2129.260029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.260029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.260029 (E_RNA)
where:
Base-Base interactions energy: -1485.158
where: short stacking energy: -618.870
Base-Backbone interact. energy: -2.834
local terms energy: -641.267969
where:
bonds (distance) C4'-P energy: -108.254
bonds (distance) P-C4' energy: -123.368
flat angles C4'-P-C4' energy: -127.797
flat angles P-C4'-P energy: -86.937
tors. eta vs tors. theta energy: -194.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -2039.056049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.056049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.056049 (E_RNA)
where:
Base-Base interactions energy: -1441.721
where: short stacking energy: -557.357
Base-Backbone interact. energy: -0.780
local terms energy: -596.554578
where:
bonds (distance) C4'-P energy: -113.041
bonds (distance) P-C4' energy: -97.661
flat angles C4'-P-C4' energy: -126.596
flat angles P-C4'-P energy: -87.945
tors. eta vs tors. theta energy: -171.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -1909.326141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.326141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.326141 (E_RNA)
where:
Base-Base interactions energy: -1316.402
where: short stacking energy: -568.919
Base-Backbone interact. energy: -0.672
local terms energy: -592.252153
where:
bonds (distance) C4'-P energy: -112.135
bonds (distance) P-C4' energy: -101.179
flat angles C4'-P-C4' energy: -125.596
flat angles P-C4'-P energy: -78.695
tors. eta vs tors. theta energy: -174.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -1914.712118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.712118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.712118 (E_RNA)
where:
Base-Base interactions energy: -1332.711
where: short stacking energy: -563.202
Base-Backbone interact. energy: -1.220
local terms energy: -580.781076
where:
bonds (distance) C4'-P energy: -103.530
bonds (distance) P-C4' energy: -102.657
flat angles C4'-P-C4' energy: -116.981
flat angles P-C4'-P energy: -81.905
tors. eta vs tors. theta energy: -175.708
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: 447
Temperature: 1.100000
Total energy: -1777.835768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.835768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.835768 (E_RNA)
where:
Base-Base interactions energy: -1214.561
where: short stacking energy: -494.775
Base-Backbone interact. energy: 4.197
local terms energy: -567.472319
where:
bonds (distance) C4'-P energy: -101.043
bonds (distance) P-C4' energy: -108.777
flat angles C4'-P-C4' energy: -130.134
flat angles P-C4'-P energy: -84.176
tors. eta vs tors. theta energy: -143.343
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: 3
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -1569.735847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.735847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.735847 (E_RNA)
where:
Base-Base interactions energy: -1052.858
where: short stacking energy: -416.349
Base-Backbone interact. energy: 0.996
local terms energy: -517.874033
where:
bonds (distance) C4'-P energy: -97.793
bonds (distance) P-C4' energy: -99.659
flat angles C4'-P-C4' energy: -117.190
flat angles P-C4'-P energy: -76.468
tors. eta vs tors. theta energy: -126.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -1122.434584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.434584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.434584 (E_RNA)
where:
Base-Base interactions energy: -701.794
where: short stacking energy: -329.271
Base-Backbone interact. energy: -0.359
local terms energy: -420.282048
where:
bonds (distance) C4'-P energy: -106.844
bonds (distance) P-C4' energy: -79.453
flat angles C4'-P-C4' energy: -103.652
flat angles P-C4'-P energy: -59.947
tors. eta vs tors. theta energy: -70.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -1033.967615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.967615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.967615 (E_RNA)
where:
Base-Base interactions energy: -612.020
where: short stacking energy: -291.175
Base-Backbone interact. energy: -1.755
local terms energy: -420.192257
where:
bonds (distance) C4'-P energy: -92.971
bonds (distance) P-C4' energy: -101.782
flat angles C4'-P-C4' energy: -100.745
flat angles P-C4'-P energy: -58.674
tors. eta vs tors. theta energy: -66.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -691.007376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.007376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.007376 (E_RNA)
where:
Base-Base interactions energy: -367.397
where: short stacking energy: -201.525
Base-Backbone interact. energy: -5.250
local terms energy: -318.360243
where:
bonds (distance) C4'-P energy: -87.093
bonds (distance) P-C4' energy: -100.563
flat angles C4'-P-C4' energy: -76.937
flat angles P-C4'-P energy: -48.258
tors. eta vs tors. theta energy: -5.510
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: 6
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -568.585452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.585452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.585452 (E_RNA)
where:
Base-Base interactions energy: -228.110
where: short stacking energy: -150.503
Base-Backbone interact. energy: 9.165
local terms energy: -349.640365
where:
bonds (distance) C4'-P energy: -102.795
bonds (distance) P-C4' energy: -105.480
flat angles C4'-P-C4' energy: -85.329
flat angles P-C4'-P energy: -57.799
tors. eta vs tors. theta energy: 1.763
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: 1, replica: 8
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -2124.577851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.577851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.577851 (E_RNA)
where:
Base-Base interactions energy: -1491.094
where: short stacking energy: -613.330
Base-Backbone interact. energy: -3.312
local terms energy: -630.171819
where:
bonds (distance) C4'-P energy: -117.068
bonds (distance) P-C4' energy: -109.352
flat angles C4'-P-C4' energy: -121.218
flat angles P-C4'-P energy: -86.192
tors. eta vs tors. theta energy: -196.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -2029.603177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.603177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.603177 (E_RNA)
where:
Base-Base interactions energy: -1415.517
where: short stacking energy: -586.132
Base-Backbone interact. energy: -0.943
local terms energy: -613.142941
where:
bonds (distance) C4'-P energy: -112.540
bonds (distance) P-C4' energy: -112.828
flat angles C4'-P-C4' energy: -126.075
flat angles P-C4'-P energy: -90.030
tors. eta vs tors. theta energy: -171.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1939.085544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.085544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.085544 (E_RNA)
where:
Base-Base interactions energy: -1328.274
where: short stacking energy: -554.853
Base-Backbone interact. energy: -2.393
local terms energy: -608.418792
where:
bonds (distance) C4'-P energy: -111.600
bonds (distance) P-C4' energy: -116.347
flat angles C4'-P-C4' energy: -127.700
flat angles P-C4'-P energy: -86.669
tors. eta vs tors. theta energy: -166.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -1852.470196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.470196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.470196 (E_RNA)
where:
Base-Base interactions energy: -1281.925
where: short stacking energy: -560.225
Base-Backbone interact. energy: -1.365
local terms energy: -569.180764
where:
bonds (distance) C4'-P energy: -90.958
bonds (distance) P-C4' energy: -110.484
flat angles C4'-P-C4' energy: -127.799
flat angles P-C4'-P energy: -79.108
tors. eta vs tors. theta energy: -160.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -1746.411862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.411862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.411862 (E_RNA)
where:
Base-Base interactions energy: -1235.620
where: short stacking energy: -490.983
Base-Backbone interact. energy: 1.598
local terms energy: -512.389686
where:
bonds (distance) C4'-P energy: -99.590
bonds (distance) P-C4' energy: -92.307
flat angles C4'-P-C4' energy: -115.059
flat angles P-C4'-P energy: -66.978
tors. eta vs tors. theta energy: -138.456
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: 3
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -1561.412366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.412366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.412366 (E_RNA)
where:
Base-Base interactions energy: -1051.241
where: short stacking energy: -486.739
Base-Backbone interact. energy: 2.101
local terms energy: -512.272425
where:
bonds (distance) C4'-P energy: -92.827
bonds (distance) P-C4' energy: -91.369
flat angles C4'-P-C4' energy: -123.187
flat angles P-C4'-P energy: -73.316
tors. eta vs tors. theta energy: -131.574
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: 7, replica: 2
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -1149.703401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.703401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.703401 (E_RNA)
where:
Base-Base interactions energy: -706.864
where: short stacking energy: -338.286
Base-Backbone interact. energy: -1.380
local terms energy: -441.459199
where:
bonds (distance) C4'-P energy: -104.473
bonds (distance) P-C4' energy: -105.229
flat angles C4'-P-C4' energy: -107.459
flat angles P-C4'-P energy: -61.115
tors. eta vs tors. theta energy: -63.184
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: 448
Temperature: 1.250000
Total energy: -1002.559524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.559524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.559524 (E_RNA)
where:
Base-Base interactions energy: -618.138
where: short stacking energy: -269.558
Base-Backbone interact. energy: 3.558
local terms energy: -387.979166
where:
bonds (distance) C4'-P energy: -107.193
bonds (distance) P-C4' energy: -98.770
flat angles C4'-P-C4' energy: -95.886
flat angles P-C4'-P energy: -47.370
tors. eta vs tors. theta energy: -38.759
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: 5
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -691.180326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.180326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.180326 (E_RNA)
where:
Base-Base interactions energy: -356.021
where: short stacking energy: -185.097
Base-Backbone interact. energy: -0.662
local terms energy: -334.497880
where:
bonds (distance) C4'-P energy: -105.858
bonds (distance) P-C4' energy: -98.347
flat angles C4'-P-C4' energy: -72.872
flat angles P-C4'-P energy: -54.032
tors. eta vs tors. theta energy: -3.390
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: 6
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -558.126610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.126610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.126610 (E_RNA)
where:
Base-Base interactions energy: -227.017
where: short stacking energy: -152.599
Base-Backbone interact. energy: -2.328
local terms energy: -328.781107
where:
bonds (distance) C4'-P energy: -90.962
bonds (distance) P-C4' energy: -116.523
flat angles C4'-P-C4' energy: -81.699
flat angles P-C4'-P energy: -36.923
tors. eta vs tors. theta energy: -2.674
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: 1, replica: 8
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -2165.623402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.623402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.623402 (E_RNA)
where:
Base-Base interactions energy: -1512.435
where: short stacking energy: -657.044
Base-Backbone interact. energy: -3.152
local terms energy: -650.036113
where:
bonds (distance) C4'-P energy: -110.677
bonds (distance) P-C4' energy: -117.706
flat angles C4'-P-C4' energy: -137.189
flat angles P-C4'-P energy: -88.730
tors. eta vs tors. theta energy: -195.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -2052.471874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.471874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.471874 (E_RNA)
where:
Base-Base interactions energy: -1448.089
where: short stacking energy: -575.986
Base-Backbone interact. energy: -1.211
local terms energy: -603.172129
where:
bonds (distance) C4'-P energy: -106.119
bonds (distance) P-C4' energy: -119.546
flat angles C4'-P-C4' energy: -136.745
flat angles P-C4'-P energy: -84.578
tors. eta vs tors. theta energy: -156.184
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: 3, replica: 7
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -1970.627225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.627225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.627225 (E_RNA)
where:
Base-Base interactions energy: -1376.843
where: short stacking energy: -575.921
Base-Backbone interact. energy: -0.254
local terms energy: -593.529353
where:
bonds (distance) C4'-P energy: -117.231
bonds (distance) P-C4' energy: -100.375
flat angles C4'-P-C4' energy: -127.923
flat angles P-C4'-P energy: -77.002
tors. eta vs tors. theta energy: -170.998
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: 10
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -1848.543356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.543356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.543356 (E_RNA)
where:
Base-Base interactions energy: -1292.067
where: short stacking energy: -552.327
Base-Backbone interact. energy: -2.644
local terms energy: -553.832314
where:
bonds (distance) C4'-P energy: -89.750
bonds (distance) P-C4' energy: -97.578
flat angles C4'-P-C4' energy: -121.144
flat angles P-C4'-P energy: -84.382
tors. eta vs tors. theta energy: -160.978
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: 9
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -1765.163537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.163537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.163537 (E_RNA)
where:
Base-Base interactions energy: -1222.372
where: short stacking energy: -465.715
Base-Backbone interact. energy: -4.714
local terms energy: -538.077717
where:
bonds (distance) C4'-P energy: -102.236
bonds (distance) P-C4' energy: -113.294
flat angles C4'-P-C4' energy: -105.221
flat angles P-C4'-P energy: -76.450
tors. eta vs tors. theta energy: -140.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -1563.133161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.133161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.133161 (E_RNA)
where:
Base-Base interactions energy: -1057.180
where: short stacking energy: -443.546
Base-Backbone interact. energy: -1.443
local terms energy: -504.511062
where:
bonds (distance) C4'-P energy: -107.811
bonds (distance) P-C4' energy: -98.494
flat angles C4'-P-C4' energy: -108.133
flat angles P-C4'-P energy: -72.291
tors. eta vs tors. theta energy: -117.781
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: 2
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -1139.200299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.200299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.200299 (E_RNA)
where:
Base-Base interactions energy: -698.595
where: short stacking energy: -329.630
Base-Backbone interact. energy: -2.287
local terms energy: -438.317882
where:
bonds (distance) C4'-P energy: -105.216
bonds (distance) P-C4' energy: -91.328
flat angles C4'-P-C4' energy: -128.383
flat angles P-C4'-P energy: -55.415
tors. eta vs tors. theta energy: -57.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -1000.956817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.956817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.956817 (E_RNA)
where:
Base-Base interactions energy: -568.635
where: short stacking energy: -270.356
Base-Backbone interact. energy: -0.620
local terms energy: -431.701890
where:
bonds (distance) C4'-P energy: -98.059
bonds (distance) P-C4' energy: -97.244
flat angles C4'-P-C4' energy: -112.890
flat angles P-C4'-P energy: -69.818
tors. eta vs tors. theta energy: -53.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -677.260563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.260563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.260563 (E_RNA)
where:
Base-Base interactions energy: -337.572
where: short stacking energy: -188.385
Base-Backbone interact. energy: -2.077
local terms energy: -337.610857
where:
bonds (distance) C4'-P energy: -92.828
bonds (distance) P-C4' energy: -92.785
flat angles C4'-P-C4' energy: -92.709
flat angles P-C4'-P energy: -53.567
tors. eta vs tors. theta energy: -5.721
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: 10, replica: 6
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -507.406515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.406515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.406515 (E_RNA)
where:
Base-Base interactions energy: -221.244
where: short stacking energy: -138.887
Base-Backbone interact. energy: -1.952
local terms energy: -284.209709
where:
bonds (distance) C4'-P energy: -90.852
bonds (distance) P-C4' energy: -111.290
flat angles C4'-P-C4' energy: -54.388
flat angles P-C4'-P energy: -46.198
tors. eta vs tors. theta energy: 18.517
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: 1, replica: 8
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -2169.731392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.731392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.731392 (E_RNA)
where:
Base-Base interactions energy: -1493.653
where: short stacking energy: -631.378
Base-Backbone interact. energy: -3.733
local terms energy: -672.345340
where:
bonds (distance) C4'-P energy: -127.926
bonds (distance) P-C4' energy: -127.088
flat angles C4'-P-C4' energy: -134.614
flat angles P-C4'-P energy: -88.789
tors. eta vs tors. theta energy: -193.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -2038.383097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.383097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.383097 (E_RNA)
where:
Base-Base interactions energy: -1435.010
where: short stacking energy: -572.507
Base-Backbone interact. energy: 1.881
local terms energy: -605.253963
where:
bonds (distance) C4'-P energy: -108.094
bonds (distance) P-C4' energy: -118.637
flat angles C4'-P-C4' energy: -138.514
flat angles P-C4'-P energy: -84.898
tors. eta vs tors. theta energy: -155.111
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: 450
Temperature: 1.000000
Total energy: -1961.639925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.639925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.639925 (E_RNA)
where:
Base-Base interactions energy: -1351.113
where: short stacking energy: -573.773
Base-Backbone interact. energy: 1.731
local terms energy: -612.257617
where:
bonds (distance) C4'-P energy: -115.233
bonds (distance) P-C4' energy: -105.549
flat angles C4'-P-C4' energy: -134.413
flat angles P-C4'-P energy: -87.790
tors. eta vs tors. theta energy: -169.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -1859.994148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.994148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.994148 (E_RNA)
where:
Base-Base interactions energy: -1252.271
where: short stacking energy: -531.314
Base-Backbone interact. energy: -2.571
local terms energy: -605.151460
where:
bonds (distance) C4'-P energy: -116.995
bonds (distance) P-C4' energy: -111.760
flat angles C4'-P-C4' energy: -134.880
flat angles P-C4'-P energy: -84.145
tors. eta vs tors. theta energy: -157.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -1754.149018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.149018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.149018 (E_RNA)
where:
Base-Base interactions energy: -1213.018
where: short stacking energy: -465.705
Base-Backbone interact. energy: 2.240
local terms energy: -543.371155
where:
bonds (distance) C4'-P energy: -105.353
bonds (distance) P-C4' energy: -109.923
flat angles C4'-P-C4' energy: -113.776
flat angles P-C4'-P energy: -78.008
tors. eta vs tors. theta energy: -136.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1576.548780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.548780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.548780 (E_RNA)
where:
Base-Base interactions energy: -1084.981
where: short stacking energy: -437.070
Base-Backbone interact. energy: 7.102
local terms energy: -498.669987
where:
bonds (distance) C4'-P energy: -87.517
bonds (distance) P-C4' energy: -105.544
flat angles C4'-P-C4' energy: -109.418
flat angles P-C4'-P energy: -82.480
tors. eta vs tors. theta energy: -113.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -1130.966700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.966700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.966700 (E_RNA)
where:
Base-Base interactions energy: -716.206
where: short stacking energy: -331.360
Base-Backbone interact. energy: -1.832
local terms energy: -412.928447
where:
bonds (distance) C4'-P energy: -102.622
bonds (distance) P-C4' energy: -94.266
flat angles C4'-P-C4' energy: -101.014
flat angles P-C4'-P energy: -57.864
tors. eta vs tors. theta energy: -57.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -965.932393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.932393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.932393 (E_RNA)
where:
Base-Base interactions energy: -561.419
where: short stacking energy: -289.514
Base-Backbone interact. energy: -1.517
local terms energy: -402.996823
where:
bonds (distance) C4'-P energy: -104.053
bonds (distance) P-C4' energy: -122.866
flat angles C4'-P-C4' energy: -89.537
flat angles P-C4'-P energy: -45.982
tors. eta vs tors. theta energy: -40.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -702.180475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.180475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.180475 (E_RNA)
where:
Base-Base interactions energy: -336.123
where: short stacking energy: -202.350
Base-Backbone interact. energy: -0.840
local terms energy: -365.217351
where:
bonds (distance) C4'-P energy: -95.281
bonds (distance) P-C4' energy: -103.053
flat angles C4'-P-C4' energy: -89.823
flat angles P-C4'-P energy: -41.336
tors. eta vs tors. theta energy: -35.725
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: 10, replica: 6
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -517.768800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.768800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.768800 (E_RNA)
where:
Base-Base interactions energy: -217.560
where: short stacking energy: -122.870
Base-Backbone interact. energy: -2.872
local terms energy: -297.336182
where:
bonds (distance) C4'-P energy: -81.198
bonds (distance) P-C4' energy: -95.402
flat angles C4'-P-C4' energy: -89.072
flat angles P-C4'-P energy: -43.578
tors. eta vs tors. theta energy: 11.914
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: 8
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -2169.672848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.672848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.672848 (E_RNA)
where:
Base-Base interactions energy: -1517.304
where: short stacking energy: -622.723
Base-Backbone interact. energy: -2.361
local terms energy: -650.007969
where:
bonds (distance) C4'-P energy: -114.214
bonds (distance) P-C4' energy: -113.105
flat angles C4'-P-C4' energy: -136.600
flat angles P-C4'-P energy: -92.479
tors. eta vs tors. theta energy: -193.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -2071.717035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.717035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.717035 (E_RNA)
where:
Base-Base interactions energy: -1451.721
where: short stacking energy: -571.690
Base-Backbone interact. energy: -3.422
local terms energy: -616.574192
where:
bonds (distance) C4'-P energy: -117.499
bonds (distance) P-C4' energy: -120.936
flat angles C4'-P-C4' energy: -120.288
flat angles P-C4'-P energy: -92.407
tors. eta vs tors. theta energy: -165.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1953.619754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.619754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.619754 (E_RNA)
where:
Base-Base interactions energy: -1348.499
where: short stacking energy: -587.025
Base-Backbone interact. energy: -2.364
local terms energy: -602.756607
where:
bonds (distance) C4'-P energy: -118.394
bonds (distance) P-C4' energy: -104.627
flat angles C4'-P-C4' energy: -121.352
flat angles P-C4'-P energy: -81.572
tors. eta vs tors. theta energy: -176.811
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: 10
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -1863.144382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.144382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.144382 (E_RNA)
where:
Base-Base interactions energy: -1318.407
where: short stacking energy: -552.490
Base-Backbone interact. energy: 0.030
local terms energy: -544.767966
where:
bonds (distance) C4'-P energy: -106.699
bonds (distance) P-C4' energy: -98.914
flat angles C4'-P-C4' energy: -119.177
flat angles P-C4'-P energy: -68.862
tors. eta vs tors. theta energy: -151.115
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: 5, replica: 9
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -1765.789963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.789963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.789963 (E_RNA)
where:
Base-Base interactions energy: -1230.701
where: short stacking energy: -519.936
Base-Backbone interact. energy: -0.590
local terms energy: -534.498794
where:
bonds (distance) C4'-P energy: -107.810
bonds (distance) P-C4' energy: -95.527
flat angles C4'-P-C4' energy: -116.690
flat angles P-C4'-P energy: -58.745
tors. eta vs tors. theta energy: -155.727
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: 3
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1615.763509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.763509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.763509 (E_RNA)
where:
Base-Base interactions energy: -1097.718
where: short stacking energy: -475.369
Base-Backbone interact. energy: 1.472
local terms energy: -519.517456
where:
bonds (distance) C4'-P energy: -81.735
bonds (distance) P-C4' energy: -98.450
flat angles C4'-P-C4' energy: -124.053
flat angles P-C4'-P energy: -76.723
tors. eta vs tors. theta energy: -138.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -1219.289575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.289575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.289575 (E_RNA)
where:
Base-Base interactions energy: -774.426
where: short stacking energy: -344.937
Base-Backbone interact. energy: -0.594
local terms energy: -444.268728
where:
bonds (distance) C4'-P energy: -93.545
bonds (distance) P-C4' energy: -103.090
flat angles C4'-P-C4' energy: -110.347
flat angles P-C4'-P energy: -64.306
tors. eta vs tors. theta energy: -72.980
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: 1
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -967.885358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.885358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.885358 (E_RNA)
where:
Base-Base interactions energy: -568.237
where: short stacking energy: -271.622
Base-Backbone interact. energy: 2.909
local terms energy: -402.556977
where:
bonds (distance) C4'-P energy: -96.981
bonds (distance) P-C4' energy: -98.495
flat angles C4'-P-C4' energy: -97.897
flat angles P-C4'-P energy: -72.913
tors. eta vs tors. theta energy: -36.271
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: 5
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -706.231560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.231560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.231560 (E_RNA)
where:
Base-Base interactions energy: -349.542
where: short stacking energy: -181.890
Base-Backbone interact. energy: -0.147
local terms energy: -356.543154
where:
bonds (distance) C4'-P energy: -103.262
bonds (distance) P-C4' energy: -113.842
flat angles C4'-P-C4' energy: -87.547
flat angles P-C4'-P energy: -46.672
tors. eta vs tors. theta energy: -5.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -492.291318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.291318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.291318 (E_RNA)
where:
Base-Base interactions energy: -198.909
where: short stacking energy: -132.621
Base-Backbone interact. energy: -0.622
local terms energy: -292.760529
where:
bonds (distance) C4'-P energy: -89.725
bonds (distance) P-C4' energy: -102.210
flat angles C4'-P-C4' energy: -66.677
flat angles P-C4'-P energy: -57.532
tors. eta vs tors. theta energy: 23.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -2154.631187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.631187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.631187 (E_RNA)
where:
Base-Base interactions energy: -1491.504
where: short stacking energy: -617.264
Base-Backbone interact. energy: -2.064
local terms energy: -661.063807
where:
bonds (distance) C4'-P energy: -124.219
bonds (distance) P-C4' energy: -121.533
flat angles C4'-P-C4' energy: -139.710
flat angles P-C4'-P energy: -92.234
tors. eta vs tors. theta energy: -183.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -2061.803013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.803013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.803013 (E_RNA)
where:
Base-Base interactions energy: -1446.237
where: short stacking energy: -577.711
Base-Backbone interact. energy: -3.245
local terms energy: -612.321201
where:
bonds (distance) C4'-P energy: -104.316
bonds (distance) P-C4' energy: -113.101
flat angles C4'-P-C4' energy: -134.703
flat angles P-C4'-P energy: -93.460
tors. eta vs tors. theta energy: -166.741
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: 452
Temperature: 1.000000
Total energy: -2011.803667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.803667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.803667 (E_RNA)
where:
Base-Base interactions energy: -1397.591
where: short stacking energy: -580.035
Base-Backbone interact. energy: 3.619
local terms energy: -617.832059
where:
bonds (distance) C4'-P energy: -118.072
bonds (distance) P-C4' energy: -107.794
flat angles C4'-P-C4' energy: -119.350
flat angles P-C4'-P energy: -83.386
tors. eta vs tors. theta energy: -189.230
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: 10
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -1850.314728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.314728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.314728 (E_RNA)
where:
Base-Base interactions energy: -1278.443
where: short stacking energy: -528.880
Base-Backbone interact. energy: -0.287
local terms energy: -571.584472
where:
bonds (distance) C4'-P energy: -107.043
bonds (distance) P-C4' energy: -100.464
flat angles C4'-P-C4' energy: -123.439
flat angles P-C4'-P energy: -77.644
tors. eta vs tors. theta energy: -162.994
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: 452
Temperature: 1.100000
Total energy: -1754.166035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.166035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.166035 (E_RNA)
where:
Base-Base interactions energy: -1201.047
where: short stacking energy: -477.890
Base-Backbone interact. energy: 0.804
local terms energy: -553.923022
where:
bonds (distance) C4'-P energy: -106.993
bonds (distance) P-C4' energy: -115.911
flat angles C4'-P-C4' energy: -122.796
flat angles P-C4'-P energy: -71.173
tors. eta vs tors. theta energy: -137.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -1561.210436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.210436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.210436 (E_RNA)
where:
Base-Base interactions energy: -1061.730
where: short stacking energy: -427.886
Base-Backbone interact. energy: -2.041
local terms energy: -497.439336
where:
bonds (distance) C4'-P energy: -98.937
bonds (distance) P-C4' energy: -102.538
flat angles C4'-P-C4' energy: -111.564
flat angles P-C4'-P energy: -65.305
tors. eta vs tors. theta energy: -119.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -1176.683355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.683355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.683355 (E_RNA)
where:
Base-Base interactions energy: -739.016
where: short stacking energy: -341.361
Base-Backbone interact. energy: 2.292
local terms energy: -439.959716
where:
bonds (distance) C4'-P energy: -97.181
bonds (distance) P-C4' energy: -107.662
flat angles C4'-P-C4' energy: -100.601
flat angles P-C4'-P energy: -62.758
tors. eta vs tors. theta energy: -71.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -972.709872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.709872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.709872 (E_RNA)
where:
Base-Base interactions energy: -562.610
where: short stacking energy: -270.435
Base-Backbone interact. energy: -2.354
local terms energy: -407.746545
where:
bonds (distance) C4'-P energy: -94.561
bonds (distance) P-C4' energy: -101.034
flat angles C4'-P-C4' energy: -98.088
flat angles P-C4'-P energy: -62.879
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: 9, replica: 5
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -643.635969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.635969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.635969 (E_RNA)
where:
Base-Base interactions energy: -311.382
where: short stacking energy: -182.265
Base-Backbone interact. energy: 1.440
local terms energy: -333.693660
where:
bonds (distance) C4'-P energy: -104.407
bonds (distance) P-C4' energy: -99.571
flat angles C4'-P-C4' energy: -81.461
flat angles P-C4'-P energy: -43.540
tors. eta vs tors. theta energy: -4.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -491.385098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.385098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.385098 (E_RNA)
where:
Base-Base interactions energy: -230.964
where: short stacking energy: -137.932
Base-Backbone interact. energy: 2.154
local terms energy: -262.575663
where:
bonds (distance) C4'-P energy: -89.395
bonds (distance) P-C4' energy: -99.177
flat angles C4'-P-C4' energy: -51.822
flat angles P-C4'-P energy: -31.643
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: 8
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -2147.192113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.192113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.192113 (E_RNA)
where:
Base-Base interactions energy: -1488.496
where: short stacking energy: -624.366
Base-Backbone interact. energy: -0.802
local terms energy: -657.894291
where:
bonds (distance) C4'-P energy: -111.541
bonds (distance) P-C4' energy: -127.273
flat angles C4'-P-C4' energy: -130.813
flat angles P-C4'-P energy: -91.401
tors. eta vs tors. theta energy: -196.867
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: 4
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -2044.870763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.870763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.870763 (E_RNA)
where:
Base-Base interactions energy: -1426.343
where: short stacking energy: -591.667
Base-Backbone interact. energy: -2.761
local terms energy: -615.766421
where:
bonds (distance) C4'-P energy: -111.789
bonds (distance) P-C4' energy: -114.974
flat angles C4'-P-C4' energy: -127.700
flat angles P-C4'-P energy: -91.993
tors. eta vs tors. theta energy: -169.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -1991.149828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.149828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.149828 (E_RNA)
where:
Base-Base interactions energy: -1394.388
where: short stacking energy: -589.801
Base-Backbone interact. energy: -0.367
local terms energy: -596.394477
where:
bonds (distance) C4'-P energy: -105.234
bonds (distance) P-C4' energy: -116.081
flat angles C4'-P-C4' energy: -116.619
flat angles P-C4'-P energy: -75.259
tors. eta vs tors. theta energy: -183.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -1911.075994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.075994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.075994 (E_RNA)
where:
Base-Base interactions energy: -1336.849
where: short stacking energy: -538.147
Base-Backbone interact. energy: -2.575
local terms energy: -571.652113
where:
bonds (distance) C4'-P energy: -99.408
bonds (distance) P-C4' energy: -106.653
flat angles C4'-P-C4' energy: -126.116
flat angles P-C4'-P energy: -72.687
tors. eta vs tors. theta energy: -166.788
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: 9
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -1799.494941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.494941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.494941 (E_RNA)
where:
Base-Base interactions energy: -1248.294
where: short stacking energy: -517.107
Base-Backbone interact. energy: -2.836
local terms energy: -548.364823
where:
bonds (distance) C4'-P energy: -97.319
bonds (distance) P-C4' energy: -118.808
flat angles C4'-P-C4' energy: -127.324
flat angles P-C4'-P energy: -56.058
tors. eta vs tors. theta energy: -148.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -1561.367235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.367235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.367235 (E_RNA)
where:
Base-Base interactions energy: -1059.264
where: short stacking energy: -468.761
Base-Backbone interact. energy: -0.400
local terms energy: -501.703616
where:
bonds (distance) C4'-P energy: -106.805
bonds (distance) P-C4' energy: -100.202
flat angles C4'-P-C4' energy: -102.479
flat angles P-C4'-P energy: -64.410
tors. eta vs tors. theta energy: -127.807
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: 2
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -1198.882272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.882272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.882272 (E_RNA)
where:
Base-Base interactions energy: -753.108
where: short stacking energy: -337.688
Base-Backbone interact. energy: 3.313
local terms energy: -449.087476
where:
bonds (distance) C4'-P energy: -105.678
bonds (distance) P-C4' energy: -102.491
flat angles C4'-P-C4' energy: -114.669
flat angles P-C4'-P energy: -60.797
tors. eta vs tors. theta energy: -65.453
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: 1
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -995.256225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.256225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.256225 (E_RNA)
where:
Base-Base interactions energy: -596.818
where: short stacking energy: -279.257
Base-Backbone interact. energy: -1.873
local terms energy: -396.565738
where:
bonds (distance) C4'-P energy: -89.788
bonds (distance) P-C4' energy: -104.296
flat angles C4'-P-C4' energy: -87.726
flat angles P-C4'-P energy: -71.339
tors. eta vs tors. theta energy: -43.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -641.960488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.960488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.960488 (E_RNA)
where:
Base-Base interactions energy: -323.354
where: short stacking energy: -174.193
Base-Backbone interact. energy: 1.469
local terms energy: -320.075386
where:
bonds (distance) C4'-P energy: -85.401
bonds (distance) P-C4' energy: -107.493
flat angles C4'-P-C4' energy: -80.965
flat angles P-C4'-P energy: -48.374
tors. eta vs tors. theta energy: 2.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -500.746978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.746978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.746978 (E_RNA)
where:
Base-Base interactions energy: -179.141
where: short stacking energy: -118.967
Base-Backbone interact. energy: 1.186
local terms energy: -322.791907
where:
bonds (distance) C4'-P energy: -96.427
bonds (distance) P-C4' energy: -104.302
flat angles C4'-P-C4' energy: -74.170
flat angles P-C4'-P energy: -55.092
tors. eta vs tors. theta energy: 7.200
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: 8
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -2140.443885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.443885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.443885 (E_RNA)
where:
Base-Base interactions energy: -1480.004
where: short stacking energy: -615.828
Base-Backbone interact. energy: -2.384
local terms energy: -658.055701
where:
bonds (distance) C4'-P energy: -109.821
bonds (distance) P-C4' energy: -131.418
flat angles C4'-P-C4' energy: -133.414
flat angles P-C4'-P energy: -95.912
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: 2, replica: 4
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -2036.549508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.549508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.549508 (E_RNA)
where:
Base-Base interactions energy: -1431.157
where: short stacking energy: -582.176
Base-Backbone interact. energy: -2.178
local terms energy: -603.214458
where:
bonds (distance) C4'-P energy: -107.484
bonds (distance) P-C4' energy: -116.375
flat angles C4'-P-C4' energy: -124.555
flat angles P-C4'-P energy: -86.832
tors. eta vs tors. theta energy: -167.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1984.855207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.855207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.855207 (E_RNA)
where:
Base-Base interactions energy: -1359.408
where: short stacking energy: -594.346
Base-Backbone interact. energy: -0.974
local terms energy: -624.473398
where:
bonds (distance) C4'-P energy: -103.243
bonds (distance) P-C4' energy: -119.702
flat angles C4'-P-C4' energy: -128.480
flat angles P-C4'-P energy: -89.671
tors. eta vs tors. theta energy: -183.378
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: 4, replica: 10
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1855.003689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.003689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.003689 (E_RNA)
where:
Base-Base interactions energy: -1287.989
where: short stacking energy: -511.133
Base-Backbone interact. energy: -2.325
local terms energy: -564.689265
where:
bonds (distance) C4'-P energy: -108.177
bonds (distance) P-C4' energy: -93.949
flat angles C4'-P-C4' energy: -127.786
flat angles P-C4'-P energy: -83.101
tors. eta vs tors. theta energy: -151.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -1754.642090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.642090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.642090 (E_RNA)
where:
Base-Base interactions energy: -1214.653
where: short stacking energy: -477.925
Base-Backbone interact. energy: -1.836
local terms energy: -538.153940
where:
bonds (distance) C4'-P energy: -101.567
bonds (distance) P-C4' energy: -107.887
flat angles C4'-P-C4' energy: -110.506
flat angles P-C4'-P energy: -80.486
tors. eta vs tors. theta energy: -137.707
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: 3
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1583.818324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.818324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.818324 (E_RNA)
where:
Base-Base interactions energy: -1066.162
where: short stacking energy: -436.192
Base-Backbone interact. energy: -1.203
local terms energy: -516.453456
where:
bonds (distance) C4'-P energy: -92.398
bonds (distance) P-C4' energy: -114.732
flat angles C4'-P-C4' energy: -106.051
flat angles P-C4'-P energy: -80.902
tors. eta vs tors. theta energy: -122.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -1239.911895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.911895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.911895 (E_RNA)
where:
Base-Base interactions energy: -779.832
where: short stacking energy: -346.653
Base-Backbone interact. energy: 0.299
local terms energy: -460.379273
where:
bonds (distance) C4'-P energy: -85.571
bonds (distance) P-C4' energy: -96.713
flat angles C4'-P-C4' energy: -117.664
flat angles P-C4'-P energy: -71.779
tors. eta vs tors. theta energy: -88.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -1029.563698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.563698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.563698 (E_RNA)
where:
Base-Base interactions energy: -637.414
where: short stacking energy: -304.478
Base-Backbone interact. energy: -0.616
local terms energy: -391.532902
where:
bonds (distance) C4'-P energy: -99.217
bonds (distance) P-C4' energy: -79.921
flat angles C4'-P-C4' energy: -92.052
flat angles P-C4'-P energy: -63.212
tors. eta vs tors. theta energy: -57.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -677.623270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.623270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.623270 (E_RNA)
where:
Base-Base interactions energy: -344.043
where: short stacking energy: -195.513
Base-Backbone interact. energy: -1.748
local terms energy: -331.832905
where:
bonds (distance) C4'-P energy: -83.901
bonds (distance) P-C4' energy: -108.281
flat angles C4'-P-C4' energy: -72.888
flat angles P-C4'-P energy: -66.401
tors. eta vs tors. theta energy: -0.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -470.556927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.556927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.556927 (E_RNA)
where:
Base-Base interactions energy: -181.259
where: short stacking energy: -106.174
Base-Backbone interact. energy: 1.556
local terms energy: -290.854540
where:
bonds (distance) C4'-P energy: -93.838
bonds (distance) P-C4' energy: -110.637
flat angles C4'-P-C4' energy: -72.311
flat angles P-C4'-P energy: -51.271
tors. eta vs tors. theta energy: 37.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -2144.047645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.047645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.047645 (E_RNA)
where:
Base-Base interactions energy: -1484.079
where: short stacking energy: -632.287
Base-Backbone interact. energy: -4.351
local terms energy: -655.617733
where:
bonds (distance) C4'-P energy: -119.833
bonds (distance) P-C4' energy: -119.112
flat angles C4'-P-C4' energy: -139.842
flat angles P-C4'-P energy: -84.283
tors. eta vs tors. theta energy: -192.547
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: 455
Temperature: 0.950000
Total energy: -2087.325429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.325429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.325429 (E_RNA)
where:
Base-Base interactions energy: -1473.160
where: short stacking energy: -605.796
Base-Backbone interact. energy: -1.852
local terms energy: -612.313216
where:
bonds (distance) C4'-P energy: -113.643
bonds (distance) P-C4' energy: -115.128
flat angles C4'-P-C4' energy: -122.536
flat angles P-C4'-P energy: -81.608
tors. eta vs tors. theta energy: -179.398
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: 3, replica: 7
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -1991.285639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.285639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.285639 (E_RNA)
where:
Base-Base interactions energy: -1372.990
where: short stacking energy: -556.524
Base-Backbone interact. energy: -1.207
local terms energy: -617.089317
where:
bonds (distance) C4'-P energy: -116.247
bonds (distance) P-C4' energy: -119.711
flat angles C4'-P-C4' energy: -121.150
flat angles P-C4'-P energy: -89.212
tors. eta vs tors. theta energy: -170.769
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: 10
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -1877.040248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.040248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.040248 (E_RNA)
where:
Base-Base interactions energy: -1295.620
where: short stacking energy: -519.845
Base-Backbone interact. energy: -3.432
local terms energy: -577.987988
where:
bonds (distance) C4'-P energy: -101.471
bonds (distance) P-C4' energy: -117.122
flat angles C4'-P-C4' energy: -119.244
flat angles P-C4'-P energy: -84.845
tors. eta vs tors. theta energy: -155.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -1754.361725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.361725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.361725 (E_RNA)
where:
Base-Base interactions energy: -1206.249
where: short stacking energy: -471.683
Base-Backbone interact. energy: -1.256
local terms energy: -546.856229
where:
bonds (distance) C4'-P energy: -98.088
bonds (distance) P-C4' energy: -112.058
flat angles C4'-P-C4' energy: -128.054
flat angles P-C4'-P energy: -77.788
tors. eta vs tors. theta energy: -130.868
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: 3
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -1608.786283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.786283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.786283 (E_RNA)
where:
Base-Base interactions energy: -1124.380
where: short stacking energy: -449.739
Base-Backbone interact. energy: -0.331
local terms energy: -484.075627
where:
bonds (distance) C4'-P energy: -103.387
bonds (distance) P-C4' energy: -78.765
flat angles C4'-P-C4' energy: -109.983
flat angles P-C4'-P energy: -59.712
tors. eta vs tors. theta energy: -132.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -1199.797050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.797050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.797050 (E_RNA)
where:
Base-Base interactions energy: -756.254
where: short stacking energy: -359.966
Base-Backbone interact. energy: -1.430
local terms energy: -442.112786
where:
bonds (distance) C4'-P energy: -91.809
bonds (distance) P-C4' energy: -96.052
flat angles C4'-P-C4' energy: -108.202
flat angles P-C4'-P energy: -63.281
tors. eta vs tors. theta energy: -82.769
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: 1
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -1036.214637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.214637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.214637 (E_RNA)
where:
Base-Base interactions energy: -633.129
where: short stacking energy: -273.215
Base-Backbone interact. energy: 1.616
local terms energy: -404.701472
where:
bonds (distance) C4'-P energy: -83.597
bonds (distance) P-C4' energy: -102.855
flat angles C4'-P-C4' energy: -109.849
flat angles P-C4'-P energy: -56.029
tors. eta vs tors. theta energy: -52.371
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: 5
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -703.353258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.353258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.353258 (E_RNA)
where:
Base-Base interactions energy: -348.319
where: short stacking energy: -191.960
Base-Backbone interact. energy: -1.830
local terms energy: -353.204106
where:
bonds (distance) C4'-P energy: -96.684
bonds (distance) P-C4' energy: -108.862
flat angles C4'-P-C4' energy: -91.730
flat angles P-C4'-P energy: -53.498
tors. eta vs tors. theta energy: -2.431
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: 6
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -458.742218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.742218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.742218 (E_RNA)
where:
Base-Base interactions energy: -142.802
where: short stacking energy: -99.695
Base-Backbone interact. energy: 3.298
local terms energy: -319.237812
where:
bonds (distance) C4'-P energy: -105.608
bonds (distance) P-C4' energy: -113.016
flat angles C4'-P-C4' energy: -89.508
flat angles P-C4'-P energy: -46.979
tors. eta vs tors. theta energy: 35.874
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: 8
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -2169.008170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.008170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.008170 (E_RNA)
where:
Base-Base interactions energy: -1486.319
where: short stacking energy: -633.758
Base-Backbone interact. energy: -1.890
local terms energy: -680.799390
where:
bonds (distance) C4'-P energy: -119.105
bonds (distance) P-C4' energy: -124.674
flat angles C4'-P-C4' energy: -140.369
flat angles P-C4'-P energy: -99.456
tors. eta vs tors. theta energy: -197.195
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: 2, replica: 4
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -2100.380673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.380673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.380673 (E_RNA)
where:
Base-Base interactions energy: -1475.064
where: short stacking energy: -589.166
Base-Backbone interact. energy: -2.648
local terms energy: -622.668057
where:
bonds (distance) C4'-P energy: -106.417
bonds (distance) P-C4' energy: -115.588
flat angles C4'-P-C4' energy: -136.245
flat angles P-C4'-P energy: -91.611
tors. eta vs tors. theta energy: -172.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -1938.021964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.021964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.021964 (E_RNA)
where:
Base-Base interactions energy: -1346.630
where: short stacking energy: -570.531
Base-Backbone interact. energy: -3.471
local terms energy: -587.920921
where:
bonds (distance) C4'-P energy: -103.019
bonds (distance) P-C4' energy: -129.618
flat angles C4'-P-C4' energy: -110.888
flat angles P-C4'-P energy: -74.968
tors. eta vs tors. theta energy: -169.428
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: 7
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -1949.698427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.698427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.698427 (E_RNA)
where:
Base-Base interactions energy: -1355.890
where: short stacking energy: -565.839
Base-Backbone interact. energy: -0.466
local terms energy: -593.342543
where:
bonds (distance) C4'-P energy: -99.486
bonds (distance) P-C4' energy: -108.607
flat angles C4'-P-C4' energy: -124.551
flat angles P-C4'-P energy: -94.982
tors. eta vs tors. theta energy: -165.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -1743.856657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.856657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.856657 (E_RNA)
where:
Base-Base interactions energy: -1195.278
where: short stacking energy: -497.423
Base-Backbone interact. energy: -2.745
local terms energy: -545.833576
where:
bonds (distance) C4'-P energy: -122.128
bonds (distance) P-C4' energy: -110.488
flat angles C4'-P-C4' energy: -104.280
flat angles P-C4'-P energy: -68.246
tors. eta vs tors. theta energy: -140.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1577.790829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.790829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.790829 (E_RNA)
where:
Base-Base interactions energy: -1031.633
where: short stacking energy: -426.550
Base-Backbone interact. energy: 1.667
local terms energy: -547.824540
where:
bonds (distance) C4'-P energy: -109.634
bonds (distance) P-C4' energy: -118.792
flat angles C4'-P-C4' energy: -121.689
flat angles P-C4'-P energy: -77.395
tors. eta vs tors. theta energy: -120.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -1274.421203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.421203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.421203 (E_RNA)
where:
Base-Base interactions energy: -819.176
where: short stacking energy: -367.661
Base-Backbone interact. energy: -3.037
local terms energy: -452.208232
where:
bonds (distance) C4'-P energy: -98.927
bonds (distance) P-C4' energy: -101.536
flat angles C4'-P-C4' energy: -96.898
flat angles P-C4'-P energy: -60.687
tors. eta vs tors. theta energy: -94.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -1053.716972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.716972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.716972 (E_RNA)
where:
Base-Base interactions energy: -616.486
where: short stacking energy: -270.581
Base-Backbone interact. energy: 0.557
local terms energy: -437.788805
where:
bonds (distance) C4'-P energy: -102.013
bonds (distance) P-C4' energy: -117.668
flat angles C4'-P-C4' energy: -96.751
flat angles P-C4'-P energy: -65.803
tors. eta vs tors. theta energy: -55.554
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: 9, replica: 5
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -834.289361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.289361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.289361 (E_RNA)
where:
Base-Base interactions energy: -457.901
where: short stacking energy: -243.088
Base-Backbone interact. energy: 0.022
local terms energy: -376.410400
where:
bonds (distance) C4'-P energy: -92.313
bonds (distance) P-C4' energy: -102.036
flat angles C4'-P-C4' energy: -85.247
flat angles P-C4'-P energy: -60.801
tors. eta vs tors. theta energy: -36.013
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: 6
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -442.765445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.765445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.765445 (E_RNA)
where:
Base-Base interactions energy: -142.201
where: short stacking energy: -126.797
Base-Backbone interact. energy: 0.963
local terms energy: -301.527727
where:
bonds (distance) C4'-P energy: -106.860
bonds (distance) P-C4' energy: -97.688
flat angles C4'-P-C4' energy: -80.006
flat angles P-C4'-P energy: -31.842
tors. eta vs tors. theta energy: 14.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -2154.008665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.008665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.008665 (E_RNA)
where:
Base-Base interactions energy: -1484.303
where: short stacking energy: -615.951
Base-Backbone interact. energy: -0.918
local terms energy: -668.787262
where:
bonds (distance) C4'-P energy: -121.018
bonds (distance) P-C4' energy: -120.256
flat angles C4'-P-C4' energy: -137.248
flat angles P-C4'-P energy: -92.875
tors. eta vs tors. theta energy: -197.390
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: 457
Temperature: 0.950000
Total energy: -2053.930145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.930145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.930145 (E_RNA)
where:
Base-Base interactions energy: -1441.468
where: short stacking energy: -593.973
Base-Backbone interact. energy: 0.440
local terms energy: -612.902326
where:
bonds (distance) C4'-P energy: -101.491
bonds (distance) P-C4' energy: -121.744
flat angles C4'-P-C4' energy: -130.798
flat angles P-C4'-P energy: -88.081
tors. eta vs tors. theta energy: -170.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1898.605456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.605456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.605456 (E_RNA)
where:
Base-Base interactions energy: -1317.938
where: short stacking energy: -565.406
Base-Backbone interact. energy: -1.078
local terms energy: -579.589298
where:
bonds (distance) C4'-P energy: -101.796
bonds (distance) P-C4' energy: -100.689
flat angles C4'-P-C4' energy: -118.169
flat angles P-C4'-P energy: -90.026
tors. eta vs tors. theta energy: -168.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -1907.981952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.981952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.981952 (E_RNA)
where:
Base-Base interactions energy: -1315.794
where: short stacking energy: -560.869
Base-Backbone interact. energy: -0.746
local terms energy: -591.442472
where:
bonds (distance) C4'-P energy: -102.981
bonds (distance) P-C4' energy: -107.060
flat angles C4'-P-C4' energy: -134.741
flat angles P-C4'-P energy: -72.359
tors. eta vs tors. theta energy: -174.301
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: 5, replica: 9
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -1772.718673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.718673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.718673 (E_RNA)
where:
Base-Base interactions energy: -1217.403
where: short stacking energy: -501.090
Base-Backbone interact. energy: -1.565
local terms energy: -553.751424
where:
bonds (distance) C4'-P energy: -107.843
bonds (distance) P-C4' energy: -121.562
flat angles C4'-P-C4' energy: -116.924
flat angles P-C4'-P energy: -67.019
tors. eta vs tors. theta energy: -140.404
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: 3
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -1563.819528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.819528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.819528 (E_RNA)
where:
Base-Base interactions energy: -1038.006
where: short stacking energy: -434.004
Base-Backbone interact. energy: -2.794
local terms energy: -523.019648
where:
bonds (distance) C4'-P energy: -96.513
bonds (distance) P-C4' energy: -119.643
flat angles C4'-P-C4' energy: -111.435
flat angles P-C4'-P energy: -75.158
tors. eta vs tors. theta energy: -120.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -1229.970658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.970658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.970658 (E_RNA)
where:
Base-Base interactions energy: -793.929
where: short stacking energy: -370.410
Base-Backbone interact. energy: 6.695
local terms energy: -442.736736
where:
bonds (distance) C4'-P energy: -93.738
bonds (distance) P-C4' energy: -103.076
flat angles C4'-P-C4' energy: -110.927
flat angles P-C4'-P energy: -52.570
tors. eta vs tors. theta energy: -82.426
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: 457
Temperature: 1.250000
Total energy: -1003.452736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.452736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.452736 (E_RNA)
where:
Base-Base interactions energy: -579.437
where: short stacking energy: -275.558
Base-Backbone interact. energy: 0.238
local terms energy: -424.254202
where:
bonds (distance) C4'-P energy: -98.731
bonds (distance) P-C4' energy: -114.685
flat angles C4'-P-C4' energy: -104.738
flat angles P-C4'-P energy: -59.545
tors. eta vs tors. theta energy: -46.555
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: 9, replica: 5
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -812.037112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.037112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.037112 (E_RNA)
where:
Base-Base interactions energy: -450.521
where: short stacking energy: -224.054
Base-Backbone interact. energy: -1.506
local terms energy: -360.010152
where:
bonds (distance) C4'-P energy: -88.158
bonds (distance) P-C4' energy: -104.583
flat angles C4'-P-C4' energy: -79.696
flat angles P-C4'-P energy: -67.243
tors. eta vs tors. theta energy: -20.330
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: 6
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -476.923298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.923298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.923298 (E_RNA)
where:
Base-Base interactions energy: -170.837
where: short stacking energy: -141.925
Base-Backbone interact. energy: 13.389
local terms energy: -319.475148
where:
bonds (distance) C4'-P energy: -107.295
bonds (distance) P-C4' energy: -109.809
flat angles C4'-P-C4' energy: -73.350
flat angles P-C4'-P energy: -27.300
tors. eta vs tors. theta energy: -1.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -2156.520881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.520881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.520881 (E_RNA)
where:
Base-Base interactions energy: -1489.978
where: short stacking energy: -634.612
Base-Backbone interact. energy: -1.568
local terms energy: -664.975068
where:
bonds (distance) C4'-P energy: -108.214
bonds (distance) P-C4' energy: -126.156
flat angles C4'-P-C4' energy: -141.425
flat angles P-C4'-P energy: -90.895
tors. eta vs tors. theta energy: -198.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -2050.815193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.815193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.815193 (E_RNA)
where:
Base-Base interactions energy: -1439.336
where: short stacking energy: -572.146
Base-Backbone interact. energy: 1.582
local terms energy: -613.061522
where:
bonds (distance) C4'-P energy: -118.139
bonds (distance) P-C4' energy: -110.517
flat angles C4'-P-C4' energy: -138.905
flat angles P-C4'-P energy: -84.695
tors. eta vs tors. theta energy: -160.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -1902.185456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.185456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.185456 (E_RNA)
where:
Base-Base interactions energy: -1307.006
where: short stacking energy: -533.809
Base-Backbone interact. energy: 0.878
local terms energy: -596.057555
where:
bonds (distance) C4'-P energy: -108.039
bonds (distance) P-C4' energy: -119.349
flat angles C4'-P-C4' energy: -124.145
flat angles P-C4'-P energy: -83.020
tors. eta vs tors. theta energy: -161.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -1925.195679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.195679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.195679 (E_RNA)
where:
Base-Base interactions energy: -1319.556
where: short stacking energy: -542.223
Base-Backbone interact. energy: -2.224
local terms energy: -603.415046
where:
bonds (distance) C4'-P energy: -108.613
bonds (distance) P-C4' energy: -108.812
flat angles C4'-P-C4' energy: -128.744
flat angles P-C4'-P energy: -88.409
tors. eta vs tors. theta energy: -168.837
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: 9
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -1752.551950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.551950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.551950 (E_RNA)
where:
Base-Base interactions energy: -1210.277
where: short stacking energy: -482.662
Base-Backbone interact. energy: -1.001
local terms energy: -541.274635
where:
bonds (distance) C4'-P energy: -97.244
bonds (distance) P-C4' energy: -117.933
flat angles C4'-P-C4' energy: -109.921
flat angles P-C4'-P energy: -77.801
tors. eta vs tors. theta energy: -138.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -1538.976221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.976221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.976221 (E_RNA)
where:
Base-Base interactions energy: -1017.644
where: short stacking energy: -424.776
Base-Backbone interact. energy: -3.131
local terms energy: -518.202018
where:
bonds (distance) C4'-P energy: -100.143
bonds (distance) P-C4' energy: -115.120
flat angles C4'-P-C4' energy: -109.985
flat angles P-C4'-P energy: -72.674
tors. eta vs tors. theta energy: -120.280
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: 2
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -1170.606626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.606626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.606626 (E_RNA)
where:
Base-Base interactions energy: -723.673
where: short stacking energy: -355.544
Base-Backbone interact. energy: 5.356
local terms energy: -452.289402
where:
bonds (distance) C4'-P energy: -101.719
bonds (distance) P-C4' energy: -102.091
flat angles C4'-P-C4' energy: -113.111
flat angles P-C4'-P energy: -59.262
tors. eta vs tors. theta energy: -76.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -997.123583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.123583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.123583 (E_RNA)
where:
Base-Base interactions energy: -618.373
where: short stacking energy: -284.239
Base-Backbone interact. energy: 0.400
local terms energy: -379.150538
where:
bonds (distance) C4'-P energy: -86.744
bonds (distance) P-C4' energy: -89.118
flat angles C4'-P-C4' energy: -108.296
flat angles P-C4'-P energy: -47.301
tors. eta vs tors. theta energy: -47.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -782.397838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.397838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.397838 (E_RNA)
where:
Base-Base interactions energy: -421.103
where: short stacking energy: -210.918
Base-Backbone interact. energy: -1.767
local terms energy: -359.528059
where:
bonds (distance) C4'-P energy: -93.979
bonds (distance) P-C4' energy: -108.417
flat angles C4'-P-C4' energy: -74.816
flat angles P-C4'-P energy: -53.638
tors. eta vs tors. theta energy: -28.678
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: 6
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -533.980051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.980051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.980051 (E_RNA)
where:
Base-Base interactions energy: -231.969
where: short stacking energy: -120.291
Base-Backbone interact. energy: -3.287
local terms energy: -298.724263
where:
bonds (distance) C4'-P energy: -92.512
bonds (distance) P-C4' energy: -92.510
flat angles C4'-P-C4' energy: -82.853
flat angles P-C4'-P energy: -43.177
tors. eta vs tors. theta energy: 12.327
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: 8
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -2145.097564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.097564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.097564 (E_RNA)
where:
Base-Base interactions energy: -1493.259
where: short stacking energy: -637.731
Base-Backbone interact. energy: -3.182
local terms energy: -648.656012
where:
bonds (distance) C4'-P energy: -99.686
bonds (distance) P-C4' energy: -116.715
flat angles C4'-P-C4' energy: -141.620
flat angles P-C4'-P energy: -91.705
tors. eta vs tors. theta energy: -198.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -2062.238385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.238385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.238385 (E_RNA)
where:
Base-Base interactions energy: -1468.609
where: short stacking energy: -569.587
Base-Backbone interact. energy: -3.084
local terms energy: -590.545178
where:
bonds (distance) C4'-P energy: -113.860
bonds (distance) P-C4' energy: -104.310
flat angles C4'-P-C4' energy: -119.171
flat angles P-C4'-P energy: -84.627
tors. eta vs tors. theta energy: -168.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -1904.303454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.303454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.303454 (E_RNA)
where:
Base-Base interactions energy: -1316.669
where: short stacking energy: -538.532
Base-Backbone interact. energy: -0.873
local terms energy: -586.762179
where:
bonds (distance) C4'-P energy: -105.593
bonds (distance) P-C4' energy: -114.000
flat angles C4'-P-C4' energy: -127.816
flat angles P-C4'-P energy: -78.916
tors. eta vs tors. theta energy: -160.436
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: 7
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -1953.787012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.787012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.787012 (E_RNA)
where:
Base-Base interactions energy: -1359.460
where: short stacking energy: -560.579
Base-Backbone interact. energy: -1.093
local terms energy: -593.233873
where:
bonds (distance) C4'-P energy: -113.694
bonds (distance) P-C4' energy: -111.900
flat angles C4'-P-C4' energy: -126.246
flat angles P-C4'-P energy: -69.242
tors. eta vs tors. theta energy: -172.152
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: 5, replica: 9
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -1714.429638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.429638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.429638 (E_RNA)
where:
Base-Base interactions energy: -1176.324
where: short stacking energy: -493.796
Base-Backbone interact. energy: -2.691
local terms energy: -535.414125
where:
bonds (distance) C4'-P energy: -90.852
bonds (distance) P-C4' energy: -102.067
flat angles C4'-P-C4' energy: -114.205
flat angles P-C4'-P energy: -82.745
tors. eta vs tors. theta energy: -145.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -1591.981036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.981036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.981036 (E_RNA)
where:
Base-Base interactions energy: -1091.999
where: short stacking energy: -471.344
Base-Backbone interact. energy: 1.224
local terms energy: -501.205793
where:
bonds (distance) C4'-P energy: -92.324
bonds (distance) P-C4' energy: -101.714
flat angles C4'-P-C4' energy: -113.808
flat angles P-C4'-P energy: -70.986
tors. eta vs tors. theta energy: -122.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -1144.498334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.498334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.498334 (E_RNA)
where:
Base-Base interactions energy: -688.984
where: short stacking energy: -316.637
Base-Backbone interact. energy: -5.878
local terms energy: -449.636107
where:
bonds (distance) C4'-P energy: -100.934
bonds (distance) P-C4' energy: -117.476
flat angles C4'-P-C4' energy: -99.335
flat angles P-C4'-P energy: -63.183
tors. eta vs tors. theta energy: -68.709
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: 8, replica: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -1040.297810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.297810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.297810 (E_RNA)
where:
Base-Base interactions energy: -604.096
where: short stacking energy: -295.272
Base-Backbone interact. energy: 0.989
local terms energy: -437.190324
where:
bonds (distance) C4'-P energy: -97.095
bonds (distance) P-C4' energy: -93.762
flat angles C4'-P-C4' energy: -99.213
flat angles P-C4'-P energy: -73.951
tors. eta vs tors. theta energy: -73.169
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: 5
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -780.288456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.288456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.288456 (E_RNA)
where:
Base-Base interactions energy: -434.632
where: short stacking energy: -215.064
Base-Backbone interact. energy: 3.237
local terms energy: -348.893597
where:
bonds (distance) C4'-P energy: -99.489
bonds (distance) P-C4' energy: -86.830
flat angles C4'-P-C4' energy: -80.396
flat angles P-C4'-P energy: -57.885
tors. eta vs tors. theta energy: -24.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -510.855024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.855024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.855024 (E_RNA)
where:
Base-Base interactions energy: -199.714
where: short stacking energy: -135.658
Base-Backbone interact. energy: 1.621
local terms energy: -312.762052
where:
bonds (distance) C4'-P energy: -100.343
bonds (distance) P-C4' energy: -108.939
flat angles C4'-P-C4' energy: -75.276
flat angles P-C4'-P energy: -40.521
tors. eta vs tors. theta energy: 12.317
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: 1, replica: 8
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -2146.823458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.823458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.823458 (E_RNA)
where:
Base-Base interactions energy: -1512.933
where: short stacking energy: -621.070
Base-Backbone interact. energy: 0.933
local terms energy: -634.823750
where:
bonds (distance) C4'-P energy: -106.491
bonds (distance) P-C4' energy: -128.554
flat angles C4'-P-C4' energy: -127.843
flat angles P-C4'-P energy: -85.807
tors. eta vs tors. theta energy: -186.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -2054.863866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.863866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.863866 (E_RNA)
where:
Base-Base interactions energy: -1431.045
where: short stacking energy: -584.673
Base-Backbone interact. energy: -4.115
local terms energy: -619.703250
where:
bonds (distance) C4'-P energy: -104.961
bonds (distance) P-C4' energy: -119.753
flat angles C4'-P-C4' energy: -135.798
flat angles P-C4'-P energy: -93.369
tors. eta vs tors. theta energy: -165.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -1984.224440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.224440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.224440 (E_RNA)
where:
Base-Base interactions energy: -1374.037
where: short stacking energy: -587.538
Base-Backbone interact. energy: -1.222
local terms energy: -608.965304
where:
bonds (distance) C4'-P energy: -104.399
bonds (distance) P-C4' energy: -107.038
flat angles C4'-P-C4' energy: -142.411
flat angles P-C4'-P energy: -70.218
tors. eta vs tors. theta energy: -184.898
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: 10
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -1869.069827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.069827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.069827 (E_RNA)
where:
Base-Base interactions energy: -1289.406
where: short stacking energy: -539.330
Base-Backbone interact. energy: 1.638
local terms energy: -581.301510
where:
bonds (distance) C4'-P energy: -103.726
bonds (distance) P-C4' energy: -112.813
flat angles C4'-P-C4' energy: -116.752
flat angles P-C4'-P energy: -90.157
tors. eta vs tors. theta energy: -157.853
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: 9
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -1705.419794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.419794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.419794 (E_RNA)
where:
Base-Base interactions energy: -1143.894
where: short stacking energy: -491.241
Base-Backbone interact. energy: -2.051
local terms energy: -559.474134
where:
bonds (distance) C4'-P energy: -100.649
bonds (distance) P-C4' energy: -105.825
flat angles C4'-P-C4' energy: -126.809
flat angles P-C4'-P energy: -72.462
tors. eta vs tors. theta energy: -153.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -1599.917935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.917935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.917935 (E_RNA)
where:
Base-Base interactions energy: -1073.842
where: short stacking energy: -435.136
Base-Backbone interact. energy: -1.300
local terms energy: -524.775923
where:
bonds (distance) C4'-P energy: -110.689
bonds (distance) P-C4' energy: -101.350
flat angles C4'-P-C4' energy: -111.405
flat angles P-C4'-P energy: -80.665
tors. eta vs tors. theta energy: -120.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -1144.195763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.195763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.195763 (E_RNA)
where:
Base-Base interactions energy: -677.918
where: short stacking energy: -322.202
Base-Backbone interact. energy: 2.863
local terms energy: -469.140071
where:
bonds (distance) C4'-P energy: -104.421
bonds (distance) P-C4' energy: -109.134
flat angles C4'-P-C4' energy: -106.337
flat angles P-C4'-P energy: -76.506
tors. eta vs tors. theta energy: -72.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -1036.787529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.787529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.787529 (E_RNA)
where:
Base-Base interactions energy: -613.069
where: short stacking energy: -276.973
Base-Backbone interact. energy: 0.589
local terms energy: -424.307287
where:
bonds (distance) C4'-P energy: -109.626
bonds (distance) P-C4' energy: -116.963
flat angles C4'-P-C4' energy: -88.809
flat angles P-C4'-P energy: -64.479
tors. eta vs tors. theta energy: -44.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -788.171401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.171401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.171401 (E_RNA)
where:
Base-Base interactions energy: -434.055
where: short stacking energy: -225.474
Base-Backbone interact. energy: 1.241
local terms energy: -355.357465
where:
bonds (distance) C4'-P energy: -96.156
bonds (distance) P-C4' energy: -92.838
flat angles C4'-P-C4' energy: -86.235
flat angles P-C4'-P energy: -60.063
tors. eta vs tors. theta energy: -20.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -452.865871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.865871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.865871 (E_RNA)
where:
Base-Base interactions energy: -163.135
where: short stacking energy: -131.014
Base-Backbone interact. energy: 0.260
local terms energy: -289.991342
where:
bonds (distance) C4'-P energy: -96.555
bonds (distance) P-C4' energy: -88.880
flat angles C4'-P-C4' energy: -81.096
flat angles P-C4'-P energy: -47.847
tors. eta vs tors. theta energy: 24.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -2121.869891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.869891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.869891 (E_RNA)
where:
Base-Base interactions energy: -1451.178
where: short stacking energy: -612.718
Base-Backbone interact. energy: -2.039
local terms energy: -668.653175
where:
bonds (distance) C4'-P energy: -119.944
bonds (distance) P-C4' energy: -117.950
flat angles C4'-P-C4' energy: -140.385
flat angles P-C4'-P energy: -103.300
tors. eta vs tors. theta energy: -187.075
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: 461
Temperature: 0.950000
Total energy: -2081.644664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.644664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.644664 (E_RNA)
where:
Base-Base interactions energy: -1445.804
where: short stacking energy: -596.361
Base-Backbone interact. energy: -0.585
local terms energy: -635.255555
where:
bonds (distance) C4'-P energy: -102.640
bonds (distance) P-C4' energy: -119.034
flat angles C4'-P-C4' energy: -138.394
flat angles P-C4'-P energy: -98.506
tors. eta vs tors. theta energy: -176.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -1957.411809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.411809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.411809 (E_RNA)
where:
Base-Base interactions energy: -1361.365
where: short stacking energy: -591.702
Base-Backbone interact. energy: -0.170
local terms energy: -595.876784
where:
bonds (distance) C4'-P energy: -95.480
bonds (distance) P-C4' energy: -129.622
flat angles C4'-P-C4' energy: -120.365
flat angles P-C4'-P energy: -80.814
tors. eta vs tors. theta energy: -169.596
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: 4, replica: 10
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -1883.766867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.766867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.766867 (E_RNA)
where:
Base-Base interactions energy: -1314.396
where: short stacking energy: -559.244
Base-Backbone interact. energy: 0.571
local terms energy: -569.942006
where:
bonds (distance) C4'-P energy: -99.711
bonds (distance) P-C4' energy: -100.808
flat angles C4'-P-C4' energy: -118.727
flat angles P-C4'-P energy: -88.780
tors. eta vs tors. theta energy: -161.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -1725.436273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.436273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.436273 (E_RNA)
where:
Base-Base interactions energy: -1196.469
where: short stacking energy: -484.615
Base-Backbone interact. energy: -3.581
local terms energy: -525.387143
where:
bonds (distance) C4'-P energy: -97.977
bonds (distance) P-C4' energy: -99.386
flat angles C4'-P-C4' energy: -118.818
flat angles P-C4'-P energy: -72.617
tors. eta vs tors. theta energy: -136.589
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: 6, replica: 3
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -1586.832161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.832161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.832161 (E_RNA)
where:
Base-Base interactions energy: -1072.691
where: short stacking energy: -429.669
Base-Backbone interact. energy: -3.935
local terms energy: -510.206121
where:
bonds (distance) C4'-P energy: -97.288
bonds (distance) P-C4' energy: -106.304
flat angles C4'-P-C4' energy: -117.908
flat angles P-C4'-P energy: -69.939
tors. eta vs tors. theta energy: -118.767
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: 7, replica: 2
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -1188.081683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.081683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.081683 (E_RNA)
where:
Base-Base interactions energy: -739.407
where: short stacking energy: -328.370
Base-Backbone interact. energy: 4.863
local terms energy: -453.537521
where:
bonds (distance) C4'-P energy: -96.612
bonds (distance) P-C4' energy: -111.540
flat angles C4'-P-C4' energy: -112.833
flat angles P-C4'-P energy: -65.362
tors. eta vs tors. theta energy: -67.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -1089.581792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.581792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.581792 (E_RNA)
where:
Base-Base interactions energy: -698.041
where: short stacking energy: -321.620
Base-Backbone interact. energy: 5.983
local terms energy: -397.522967
where:
bonds (distance) C4'-P energy: -86.567
bonds (distance) P-C4' energy: -93.140
flat angles C4'-P-C4' energy: -95.464
flat angles P-C4'-P energy: -61.817
tors. eta vs tors. theta energy: -60.535
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: 5
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -784.459350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.459350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.459350 (E_RNA)
where:
Base-Base interactions energy: -407.460
where: short stacking energy: -220.814
Base-Backbone interact. energy: 0.205
local terms energy: -377.204045
where:
bonds (distance) C4'-P energy: -100.707
bonds (distance) P-C4' energy: -98.222
flat angles C4'-P-C4' energy: -91.153
flat angles P-C4'-P energy: -60.356
tors. eta vs tors. theta energy: -26.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -521.067109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.067109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.067109 (E_RNA)
where:
Base-Base interactions energy: -218.715
where: short stacking energy: -130.796
Base-Backbone interact. energy: -1.875
local terms energy: -300.476541
where:
bonds (distance) C4'-P energy: -92.340
bonds (distance) P-C4' energy: -110.328
flat angles C4'-P-C4' energy: -60.797
flat angles P-C4'-P energy: -67.331
tors. eta vs tors. theta energy: 30.318
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: 8
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -2149.363110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.363110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.363110 (E_RNA)
where:
Base-Base interactions energy: -1465.687
where: short stacking energy: -637.173
Base-Backbone interact. energy: -1.620
local terms energy: -682.057000
where:
bonds (distance) C4'-P energy: -116.210
bonds (distance) P-C4' energy: -121.414
flat angles C4'-P-C4' energy: -143.914
flat angles P-C4'-P energy: -101.824
tors. eta vs tors. theta energy: -198.696
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: 462
Temperature: 0.950000
Total energy: -2059.549253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.549253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.549253 (E_RNA)
where:
Base-Base interactions energy: -1432.415
where: short stacking energy: -595.176
Base-Backbone interact. energy: -0.963
local terms energy: -626.170941
where:
bonds (distance) C4'-P energy: -102.404
bonds (distance) P-C4' energy: -119.465
flat angles C4'-P-C4' energy: -131.814
flat angles P-C4'-P energy: -95.438
tors. eta vs tors. theta energy: -177.049
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: 7
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -1983.326887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.326887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.326887 (E_RNA)
where:
Base-Base interactions energy: -1383.641
where: short stacking energy: -564.177
Base-Backbone interact. energy: -0.025
local terms energy: -599.661397
where:
bonds (distance) C4'-P energy: -105.398
bonds (distance) P-C4' energy: -112.982
flat angles C4'-P-C4' energy: -130.761
flat angles P-C4'-P energy: -83.658
tors. eta vs tors. theta energy: -166.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -1858.770219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.770219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.770219 (E_RNA)
where:
Base-Base interactions energy: -1265.547
where: short stacking energy: -512.417
Base-Backbone interact. energy: 1.250
local terms energy: -594.473647
where:
bonds (distance) C4'-P energy: -111.366
bonds (distance) P-C4' energy: -130.877
flat angles C4'-P-C4' energy: -124.755
flat angles P-C4'-P energy: -79.736
tors. eta vs tors. theta energy: -147.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -1747.340639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.340639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.340639 (E_RNA)
where:
Base-Base interactions energy: -1218.678
where: short stacking energy: -500.423
Base-Backbone interact. energy: -2.156
local terms energy: -526.506790
where:
bonds (distance) C4'-P energy: -104.058
bonds (distance) P-C4' energy: -94.995
flat angles C4'-P-C4' energy: -116.079
flat angles P-C4'-P energy: -69.149
tors. eta vs tors. theta energy: -142.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -1545.100664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.100664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.100664 (E_RNA)
where:
Base-Base interactions energy: -1036.570
where: short stacking energy: -428.284
Base-Backbone interact. energy: 2.792
local terms energy: -511.322995
where:
bonds (distance) C4'-P energy: -91.389
bonds (distance) P-C4' energy: -101.659
flat angles C4'-P-C4' energy: -119.609
flat angles P-C4'-P energy: -72.424
tors. eta vs tors. theta energy: -126.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -1219.764104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.764104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.764104 (E_RNA)
where:
Base-Base interactions energy: -779.695
where: short stacking energy: -358.519
Base-Backbone interact. energy: 1.203
local terms energy: -441.271719
where:
bonds (distance) C4'-P energy: -103.875
bonds (distance) P-C4' energy: -99.321
flat angles C4'-P-C4' energy: -101.578
flat angles P-C4'-P energy: -69.014
tors. eta vs tors. theta energy: -67.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -1162.659784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.659784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.659784 (E_RNA)
where:
Base-Base interactions energy: -733.437
where: short stacking energy: -331.342
Base-Backbone interact. energy: -2.912
local terms energy: -426.311378
where:
bonds (distance) C4'-P energy: -101.856
bonds (distance) P-C4' energy: -106.059
flat angles C4'-P-C4' energy: -103.829
flat angles P-C4'-P energy: -50.086
tors. eta vs tors. theta energy: -64.481
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: 5
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -852.546298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.546298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.546298 (E_RNA)
where:
Base-Base interactions energy: -503.696
where: short stacking energy: -247.825
Base-Backbone interact. energy: -1.126
local terms energy: -347.725171
where:
bonds (distance) C4'-P energy: -79.208
bonds (distance) P-C4' energy: -96.825
flat angles C4'-P-C4' energy: -90.630
flat angles P-C4'-P energy: -45.951
tors. eta vs tors. theta energy: -35.112
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: 6
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -511.848262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.848262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.848262 (E_RNA)
where:
Base-Base interactions energy: -195.081
where: short stacking energy: -112.981
Base-Backbone interact. energy: 3.580
local terms energy: -320.346406
where:
bonds (distance) C4'-P energy: -107.982
bonds (distance) P-C4' energy: -91.338
flat angles C4'-P-C4' energy: -96.106
flat angles P-C4'-P energy: -46.484
tors. eta vs tors. theta energy: 21.564
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: 8
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -2151.494865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.494865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.494865 (E_RNA)
where:
Base-Base interactions energy: -1480.428
where: short stacking energy: -627.709
Base-Backbone interact. energy: -2.936
local terms energy: -668.131211
where:
bonds (distance) C4'-P energy: -125.483
bonds (distance) P-C4' energy: -122.632
flat angles C4'-P-C4' energy: -141.418
flat angles P-C4'-P energy: -81.685
tors. eta vs tors. theta energy: -196.913
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: 463
Temperature: 0.950000
Total energy: -2082.380302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.380302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.380302 (E_RNA)
where:
Base-Base interactions energy: -1458.609
where: short stacking energy: -609.653
Base-Backbone interact. energy: 0.802
local terms energy: -624.572719
where:
bonds (distance) C4'-P energy: -111.177
bonds (distance) P-C4' energy: -125.983
flat angles C4'-P-C4' energy: -137.200
flat angles P-C4'-P energy: -79.467
tors. eta vs tors. theta energy: -170.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -2019.598554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.598554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.598554 (E_RNA)
where:
Base-Base interactions energy: -1411.132
where: short stacking energy: -588.731
Base-Backbone interact. energy: 4.471
local terms energy: -612.937637
where:
bonds (distance) C4'-P energy: -97.429
bonds (distance) P-C4' energy: -114.298
flat angles C4'-P-C4' energy: -126.639
flat angles P-C4'-P energy: -99.966
tors. eta vs tors. theta energy: -174.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -1847.547359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.547359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.547359 (E_RNA)
where:
Base-Base interactions energy: -1268.085
where: short stacking energy: -533.554
Base-Backbone interact. energy: -2.337
local terms energy: -577.125952
where:
bonds (distance) C4'-P energy: -111.953
bonds (distance) P-C4' energy: -106.038
flat angles C4'-P-C4' energy: -131.212
flat angles P-C4'-P energy: -79.240
tors. eta vs tors. theta energy: -148.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -1750.187742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.187742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.187742 (E_RNA)
where:
Base-Base interactions energy: -1184.261
where: short stacking energy: -500.205
Base-Backbone interact. energy: -4.102
local terms energy: -561.824371
where:
bonds (distance) C4'-P energy: -99.130
bonds (distance) P-C4' energy: -103.927
flat angles C4'-P-C4' energy: -118.759
flat angles P-C4'-P energy: -84.955
tors. eta vs tors. theta energy: -155.054
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: 6, replica: 3
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -1551.312347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.312347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.312347 (E_RNA)
where:
Base-Base interactions energy: -1045.413
where: short stacking energy: -419.816
Base-Backbone interact. energy: -0.237
local terms energy: -505.662778
where:
bonds (distance) C4'-P energy: -99.753
bonds (distance) P-C4' energy: -114.152
flat angles C4'-P-C4' energy: -108.704
flat angles P-C4'-P energy: -71.796
tors. eta vs tors. theta energy: -111.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -1282.324898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.324898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.324898 (E_RNA)
where:
Base-Base interactions energy: -825.970
where: short stacking energy: -390.876
Base-Backbone interact. energy: 3.226
local terms energy: -459.580619
where:
bonds (distance) C4'-P energy: -103.991
bonds (distance) P-C4' energy: -94.379
flat angles C4'-P-C4' energy: -95.965
flat angles P-C4'-P energy: -82.225
tors. eta vs tors. theta energy: -83.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -1073.301033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.301033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.301033 (E_RNA)
where:
Base-Base interactions energy: -674.413
where: short stacking energy: -304.367
Base-Backbone interact. energy: 1.526
local terms energy: -400.414610
where:
bonds (distance) C4'-P energy: -92.153
bonds (distance) P-C4' energy: -102.350
flat angles C4'-P-C4' energy: -97.855
flat angles P-C4'-P energy: -62.349
tors. eta vs tors. theta energy: -45.707
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: 463
Temperature: 1.300000
Total energy: -909.787694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.787694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.787694 (E_RNA)
where:
Base-Base interactions energy: -522.872
where: short stacking energy: -243.046
Base-Backbone interact. energy: -3.043
local terms energy: -383.872137
where:
bonds (distance) C4'-P energy: -97.150
bonds (distance) P-C4' energy: -110.198
flat angles C4'-P-C4' energy: -91.856
flat angles P-C4'-P energy: -54.868
tors. eta vs tors. theta energy: -29.799
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: 6
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -527.559720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.559720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.559720 (E_RNA)
where:
Base-Base interactions energy: -224.265
where: short stacking energy: -141.008
Base-Backbone interact. energy: -1.655
local terms energy: -301.639748
where:
bonds (distance) C4'-P energy: -84.066
bonds (distance) P-C4' energy: -100.821
flat angles C4'-P-C4' energy: -75.149
flat angles P-C4'-P energy: -56.924
tors. eta vs tors. theta energy: 15.320
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: 1, replica: 8
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -2159.446147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.446147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.446147 (E_RNA)
where:
Base-Base interactions energy: -1510.191
where: short stacking energy: -628.609
Base-Backbone interact. energy: -0.652
local terms energy: -648.603050
where:
bonds (distance) C4'-P energy: -112.575
bonds (distance) P-C4' energy: -124.601
flat angles C4'-P-C4' energy: -136.349
flat angles P-C4'-P energy: -85.417
tors. eta vs tors. theta energy: -189.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -2063.903145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.903145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.903145 (E_RNA)
where:
Base-Base interactions energy: -1443.404
where: short stacking energy: -592.638
Base-Backbone interact. energy: 0.930
local terms energy: -621.428248
where:
bonds (distance) C4'-P energy: -105.855
bonds (distance) P-C4' energy: -113.842
flat angles C4'-P-C4' energy: -129.786
flat angles P-C4'-P energy: -91.329
tors. eta vs tors. theta energy: -180.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -1962.469117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.469117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.469117 (E_RNA)
where:
Base-Base interactions energy: -1360.950
where: short stacking energy: -583.652
Base-Backbone interact. energy: -1.490
local terms energy: -600.028989
where:
bonds (distance) C4'-P energy: -98.773
bonds (distance) P-C4' energy: -120.715
flat angles C4'-P-C4' energy: -128.806
flat angles P-C4'-P energy: -82.276
tors. eta vs tors. theta energy: -169.459
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: 4, replica: 10
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -1855.871019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.871019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.871019 (E_RNA)
where:
Base-Base interactions energy: -1287.945
where: short stacking energy: -522.274
Base-Backbone interact. energy: 3.848
local terms energy: -571.774284
where:
bonds (distance) C4'-P energy: -98.387
bonds (distance) P-C4' energy: -108.193
flat angles C4'-P-C4' energy: -126.393
flat angles P-C4'-P energy: -82.476
tors. eta vs tors. theta energy: -156.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -1746.931500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.931500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.931500 (E_RNA)
where:
Base-Base interactions energy: -1194.322
where: short stacking energy: -496.117
Base-Backbone interact. energy: -5.909
local terms energy: -546.700485
where:
bonds (distance) C4'-P energy: -109.354
bonds (distance) P-C4' energy: -108.590
flat angles C4'-P-C4' energy: -117.217
flat angles P-C4'-P energy: -75.535
tors. eta vs tors. theta energy: -136.005
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: 6, replica: 3
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -1538.390600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.390600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.390600 (E_RNA)
where:
Base-Base interactions energy: -1041.847
where: short stacking energy: -442.231
Base-Backbone interact. energy: -0.880
local terms energy: -495.664441
where:
bonds (distance) C4'-P energy: -99.405
bonds (distance) P-C4' energy: -100.427
flat angles C4'-P-C4' energy: -111.966
flat angles P-C4'-P energy: -79.464
tors. eta vs tors. theta energy: -104.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -1302.407480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.407480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.407480 (E_RNA)
where:
Base-Base interactions energy: -842.152
where: short stacking energy: -362.186
Base-Backbone interact. energy: -2.602
local terms energy: -457.653245
where:
bonds (distance) C4'-P energy: -104.108
bonds (distance) P-C4' energy: -106.313
flat angles C4'-P-C4' energy: -110.570
flat angles P-C4'-P energy: -66.582
tors. eta vs tors. theta energy: -70.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -1144.594882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.594882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.594882 (E_RNA)
where:
Base-Base interactions energy: -710.225
where: short stacking energy: -319.090
Base-Backbone interact. energy: -2.194
local terms energy: -432.175790
where:
bonds (distance) C4'-P energy: -106.590
bonds (distance) P-C4' energy: -109.750
flat angles C4'-P-C4' energy: -92.928
flat angles P-C4'-P energy: -60.561
tors. eta vs tors. theta energy: -62.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -838.007157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.007157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.007157 (E_RNA)
where:
Base-Base interactions energy: -484.606
where: short stacking energy: -243.177
Base-Backbone interact. energy: 0.035
local terms energy: -353.435838
where:
bonds (distance) C4'-P energy: -91.543
bonds (distance) P-C4' energy: -87.729
flat angles C4'-P-C4' energy: -88.079
flat angles P-C4'-P energy: -49.596
tors. eta vs tors. theta energy: -36.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -525.832486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.832486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.832486 (E_RNA)
where:
Base-Base interactions energy: -216.415
where: short stacking energy: -140.300
Base-Backbone interact. energy: -1.468
local terms energy: -307.948798
where:
bonds (distance) C4'-P energy: -89.936
bonds (distance) P-C4' energy: -101.217
flat angles C4'-P-C4' energy: -76.829
flat angles P-C4'-P energy: -50.657
tors. eta vs tors. theta energy: 10.690
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: 8
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -2143.396338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.396338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.396338 (E_RNA)
where:
Base-Base interactions energy: -1471.858
where: short stacking energy: -630.367
Base-Backbone interact. energy: -0.849
local terms energy: -670.689076
where:
bonds (distance) C4'-P energy: -123.171
bonds (distance) P-C4' energy: -121.958
flat angles C4'-P-C4' energy: -144.026
flat angles P-C4'-P energy: -86.583
tors. eta vs tors. theta energy: -194.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -2082.641472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.641472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.641472 (E_RNA)
where:
Base-Base interactions energy: -1448.331
where: short stacking energy: -599.611
Base-Backbone interact. energy: -2.284
local terms energy: -632.026581
where:
bonds (distance) C4'-P energy: -120.351
bonds (distance) P-C4' energy: -108.687
flat angles C4'-P-C4' energy: -133.298
flat angles P-C4'-P energy: -88.812
tors. eta vs tors. theta energy: -180.878
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: 465
Temperature: 1.000000
Total energy: -1974.342072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.342072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.342072 (E_RNA)
where:
Base-Base interactions energy: -1355.121
where: short stacking energy: -592.763
Base-Backbone interact. energy: -2.338
local terms energy: -616.883885
where:
bonds (distance) C4'-P energy: -111.225
bonds (distance) P-C4' energy: -109.433
flat angles C4'-P-C4' energy: -140.972
flat angles P-C4'-P energy: -77.018
tors. eta vs tors. theta energy: -178.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -1833.542346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.542346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.542346 (E_RNA)
where:
Base-Base interactions energy: -1251.224
where: short stacking energy: -544.622
Base-Backbone interact. energy: 0.288
local terms energy: -582.606564
where:
bonds (distance) C4'-P energy: -105.623
bonds (distance) P-C4' energy: -107.851
flat angles C4'-P-C4' energy: -126.997
flat angles P-C4'-P energy: -84.815
tors. eta vs tors. theta energy: -157.321
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: 5, replica: 9
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -1741.634914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.634914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.634914 (E_RNA)
where:
Base-Base interactions energy: -1206.688
where: short stacking energy: -490.423
Base-Backbone interact. energy: -3.580
local terms energy: -531.366880
where:
bonds (distance) C4'-P energy: -97.756
bonds (distance) P-C4' energy: -106.221
flat angles C4'-P-C4' energy: -123.756
flat angles P-C4'-P energy: -70.344
tors. eta vs tors. theta energy: -133.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -1537.139657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.139657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.139657 (E_RNA)
where:
Base-Base interactions energy: -1043.704
where: short stacking energy: -441.433
Base-Backbone interact. energy: -0.639
local terms energy: -492.796433
where:
bonds (distance) C4'-P energy: -102.069
bonds (distance) P-C4' energy: -112.232
flat angles C4'-P-C4' energy: -106.630
flat angles P-C4'-P energy: -66.502
tors. eta vs tors. theta energy: -105.363
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: 2
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -1278.884806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.884806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.884806 (E_RNA)
where:
Base-Base interactions energy: -804.200
where: short stacking energy: -368.113
Base-Backbone interact. energy: -2.950
local terms energy: -471.734643
where:
bonds (distance) C4'-P energy: -108.815
bonds (distance) P-C4' energy: -104.731
flat angles C4'-P-C4' energy: -107.277
flat angles P-C4'-P energy: -64.421
tors. eta vs tors. theta energy: -86.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -1038.059471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.059471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.059471 (E_RNA)
where:
Base-Base interactions energy: -637.279
where: short stacking energy: -291.190
Base-Backbone interact. energy: 4.630
local terms energy: -405.410461
where:
bonds (distance) C4'-P energy: -103.332
bonds (distance) P-C4' energy: -92.594
flat angles C4'-P-C4' energy: -89.936
flat angles P-C4'-P energy: -50.817
tors. eta vs tors. theta energy: -68.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -778.956650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.956650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.956650 (E_RNA)
where:
Base-Base interactions energy: -443.736
where: short stacking energy: -227.444
Base-Backbone interact. energy: -2.292
local terms energy: -332.928545
where:
bonds (distance) C4'-P energy: -96.993
bonds (distance) P-C4' energy: -99.732
flat angles C4'-P-C4' energy: -92.551
flat angles P-C4'-P energy: -39.349
tors. eta vs tors. theta energy: -4.304
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: 6
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -518.255866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.255866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.255866 (E_RNA)
where:
Base-Base interactions energy: -217.048
where: short stacking energy: -131.206
Base-Backbone interact. energy: 0.039
local terms energy: -301.247035
where:
bonds (distance) C4'-P energy: -85.888
bonds (distance) P-C4' energy: -111.654
flat angles C4'-P-C4' energy: -69.485
flat angles P-C4'-P energy: -59.837
tors. eta vs tors. theta energy: 25.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -2135.393007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.393007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.393007 (E_RNA)
where:
Base-Base interactions energy: -1464.201
where: short stacking energy: -639.081
Base-Backbone interact. energy: -2.213
local terms energy: -668.978129
where:
bonds (distance) C4'-P energy: -122.294
bonds (distance) P-C4' energy: -130.265
flat angles C4'-P-C4' energy: -139.947
flat angles P-C4'-P energy: -84.887
tors. eta vs tors. theta energy: -191.586
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: 4
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -2078.515157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.515157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.515157 (E_RNA)
where:
Base-Base interactions energy: -1447.362
where: short stacking energy: -624.086
Base-Backbone interact. energy: -3.549
local terms energy: -627.603555
where:
bonds (distance) C4'-P energy: -104.461
bonds (distance) P-C4' energy: -117.158
flat angles C4'-P-C4' energy: -135.114
flat angles P-C4'-P energy: -98.946
tors. eta vs tors. theta energy: -171.925
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: 7
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -1952.219452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.219452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.219452 (E_RNA)
where:
Base-Base interactions energy: -1344.825
where: short stacking energy: -559.876
Base-Backbone interact. energy: -1.401
local terms energy: -605.993168
where:
bonds (distance) C4'-P energy: -123.765
bonds (distance) P-C4' energy: -98.813
flat angles C4'-P-C4' energy: -129.550
flat angles P-C4'-P energy: -80.368
tors. eta vs tors. theta energy: -173.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -1820.314598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.314598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.314598 (E_RNA)
where:
Base-Base interactions energy: -1276.312
where: short stacking energy: -522.377
Base-Backbone interact. energy: -1.428
local terms energy: -542.574103
where:
bonds (distance) C4'-P energy: -89.869
bonds (distance) P-C4' energy: -113.959
flat angles C4'-P-C4' energy: -111.161
flat angles P-C4'-P energy: -87.328
tors. eta vs tors. theta energy: -140.257
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: 9
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -1778.893940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.893940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.893940 (E_RNA)
where:
Base-Base interactions energy: -1213.476
where: short stacking energy: -520.666
Base-Backbone interact. energy: -3.160
local terms energy: -562.258683
where:
bonds (distance) C4'-P energy: -110.176
bonds (distance) P-C4' energy: -97.297
flat angles C4'-P-C4' energy: -122.651
flat angles P-C4'-P energy: -78.894
tors. eta vs tors. theta energy: -153.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -1520.979503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.979503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.979503 (E_RNA)
where:
Base-Base interactions energy: -1047.489
where: short stacking energy: -448.827
Base-Backbone interact. energy: -2.485
local terms energy: -471.005400
where:
bonds (distance) C4'-P energy: -85.206
bonds (distance) P-C4' energy: -100.721
flat angles C4'-P-C4' energy: -116.387
flat angles P-C4'-P energy: -55.205
tors. eta vs tors. theta energy: -113.486
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: 2
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -1258.066290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.066290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.066290 (E_RNA)
where:
Base-Base interactions energy: -812.246
where: short stacking energy: -374.277
Base-Backbone interact. energy: -1.468
local terms energy: -444.352470
where:
bonds (distance) C4'-P energy: -108.169
bonds (distance) P-C4' energy: -91.386
flat angles C4'-P-C4' energy: -100.256
flat angles P-C4'-P energy: -66.257
tors. eta vs tors. theta energy: -78.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -1055.080831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.080831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.080831 (E_RNA)
where:
Base-Base interactions energy: -656.775
where: short stacking energy: -289.408
Base-Backbone interact. energy: -2.386
local terms energy: -395.919538
where:
bonds (distance) C4'-P energy: -96.784
bonds (distance) P-C4' energy: -102.251
flat angles C4'-P-C4' energy: -102.576
flat angles P-C4'-P energy: -49.647
tors. eta vs tors. theta energy: -44.661
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: 5
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -803.201264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.201264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.201264 (E_RNA)
where:
Base-Base interactions energy: -446.296
where: short stacking energy: -219.526
Base-Backbone interact. energy: 0.004
local terms energy: -356.909333
where:
bonds (distance) C4'-P energy: -92.028
bonds (distance) P-C4' energy: -97.822
flat angles C4'-P-C4' energy: -88.248
flat angles P-C4'-P energy: -54.124
tors. eta vs tors. theta energy: -24.686
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: 6
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -578.737514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.737514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.737514 (E_RNA)
where:
Base-Base interactions energy: -264.335
where: short stacking energy: -172.309
Base-Backbone interact. energy: 1.718
local terms energy: -316.120859
where:
bonds (distance) C4'-P energy: -84.512
bonds (distance) P-C4' energy: -106.959
flat angles C4'-P-C4' energy: -83.872
flat angles P-C4'-P energy: -41.349
tors. eta vs tors. theta energy: 0.570
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: 1, replica: 8
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -2162.942226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.942226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.942226 (E_RNA)
where:
Base-Base interactions energy: -1485.726
where: short stacking energy: -603.597
Base-Backbone interact. energy: -1.340
local terms energy: -675.875894
where:
bonds (distance) C4'-P energy: -120.500
bonds (distance) P-C4' energy: -124.745
flat angles C4'-P-C4' energy: -136.830
flat angles P-C4'-P energy: -98.617
tors. eta vs tors. theta energy: -195.184
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: 4
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -2067.141944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.141944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.141944 (E_RNA)
where:
Base-Base interactions energy: -1432.409
where: short stacking energy: -583.063
Base-Backbone interact. energy: 0.543
local terms energy: -635.276642
where:
bonds (distance) C4'-P energy: -114.991
bonds (distance) P-C4' energy: -116.652
flat angles C4'-P-C4' energy: -135.774
flat angles P-C4'-P energy: -89.877
tors. eta vs tors. theta energy: -177.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -1996.181614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.181614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.181614 (E_RNA)
where:
Base-Base interactions energy: -1388.629
where: short stacking energy: -568.141
Base-Backbone interact. energy: -1.458
local terms energy: -606.094357
where:
bonds (distance) C4'-P energy: -106.934
bonds (distance) P-C4' energy: -110.726
flat angles C4'-P-C4' energy: -129.283
flat angles P-C4'-P energy: -86.601
tors. eta vs tors. theta energy: -172.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -1837.467420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.467420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.467420 (E_RNA)
where:
Base-Base interactions energy: -1267.086
where: short stacking energy: -510.666
Base-Backbone interact. energy: 1.149
local terms energy: -571.530576
where:
bonds (distance) C4'-P energy: -110.183
bonds (distance) P-C4' energy: -104.600
flat angles C4'-P-C4' energy: -129.351
flat angles P-C4'-P energy: -82.534
tors. eta vs tors. theta energy: -144.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -1767.023291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.023291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.023291 (E_RNA)
where:
Base-Base interactions energy: -1235.792
where: short stacking energy: -505.532
Base-Backbone interact. energy: -5.935
local terms energy: -525.296683
where:
bonds (distance) C4'-P energy: -86.197
bonds (distance) P-C4' energy: -99.569
flat angles C4'-P-C4' energy: -122.700
flat angles P-C4'-P energy: -80.234
tors. eta vs tors. theta energy: -136.596
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: 3
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -1473.369158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.369158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.369158 (E_RNA)
where:
Base-Base interactions energy: -995.287
where: short stacking energy: -424.155
Base-Backbone interact. energy: -0.087
local terms energy: -477.994261
where:
bonds (distance) C4'-P energy: -89.922
bonds (distance) P-C4' energy: -113.109
flat angles C4'-P-C4' energy: -108.909
flat angles P-C4'-P energy: -63.954
tors. eta vs tors. theta energy: -102.099
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: 2
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -1189.935486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.935486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.935486 (E_RNA)
where:
Base-Base interactions energy: -751.269
where: short stacking energy: -356.504
Base-Backbone interact. energy: -2.891
local terms energy: -435.775321
where:
bonds (distance) C4'-P energy: -107.848
bonds (distance) P-C4' energy: -101.154
flat angles C4'-P-C4' energy: -88.898
flat angles P-C4'-P energy: -63.278
tors. eta vs tors. theta energy: -74.597
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: 8, replica: 1
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -1081.096916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.096916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.096916 (E_RNA)
where:
Base-Base interactions energy: -685.880
where: short stacking energy: -330.515
Base-Backbone interact. energy: 1.177
local terms energy: -396.394439
where:
bonds (distance) C4'-P energy: -77.099
bonds (distance) P-C4' energy: -112.619
flat angles C4'-P-C4' energy: -111.770
flat angles P-C4'-P energy: -40.381
tors. eta vs tors. theta energy: -54.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -853.374904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.374904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.374904 (E_RNA)
where:
Base-Base interactions energy: -487.584
where: short stacking energy: -207.475
Base-Backbone interact. energy: 4.912
local terms energy: -370.703208
where:
bonds (distance) C4'-P energy: -88.554
bonds (distance) P-C4' energy: -104.358
flat angles C4'-P-C4' energy: -91.187
flat angles P-C4'-P energy: -60.594
tors. eta vs tors. theta energy: -26.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -558.564580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.564580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.564580 (E_RNA)
where:
Base-Base interactions energy: -248.661
where: short stacking energy: -144.038
Base-Backbone interact. energy: 0.063
local terms energy: -309.966529
where:
bonds (distance) C4'-P energy: -96.271
bonds (distance) P-C4' energy: -85.782
flat angles C4'-P-C4' energy: -74.902
flat angles P-C4'-P energy: -58.885
tors. eta vs tors. theta energy: 5.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -2149.368766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.368766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.368766 (E_RNA)
where:
Base-Base interactions energy: -1493.421
where: short stacking energy: -608.085
Base-Backbone interact. energy: -0.393
local terms energy: -655.554686
where:
bonds (distance) C4'-P energy: -125.544
bonds (distance) P-C4' energy: -111.181
flat angles C4'-P-C4' energy: -137.023
flat angles P-C4'-P energy: -97.426
tors. eta vs tors. theta energy: -184.380
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: 4
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -2034.848515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.848515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.848515 (E_RNA)
where:
Base-Base interactions energy: -1420.485
where: short stacking energy: -582.941
Base-Backbone interact. energy: -2.466
local terms energy: -611.897788
where:
bonds (distance) C4'-P energy: -107.215
bonds (distance) P-C4' energy: -101.527
flat angles C4'-P-C4' energy: -133.894
flat angles P-C4'-P energy: -99.729
tors. eta vs tors. theta energy: -169.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -1975.912767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.912767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.912767 (E_RNA)
where:
Base-Base interactions energy: -1361.966
where: short stacking energy: -570.946
Base-Backbone interact. energy: -1.957
local terms energy: -611.990324
where:
bonds (distance) C4'-P energy: -114.601
bonds (distance) P-C4' energy: -106.717
flat angles C4'-P-C4' energy: -130.446
flat angles P-C4'-P energy: -79.145
tors. eta vs tors. theta energy: -181.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -1844.850046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.850046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.850046 (E_RNA)
where:
Base-Base interactions energy: -1268.546
where: short stacking energy: -528.392
Base-Backbone interact. energy: 0.901
local terms energy: -577.205224
where:
bonds (distance) C4'-P energy: -106.427
bonds (distance) P-C4' energy: -119.694
flat angles C4'-P-C4' energy: -109.960
flat angles P-C4'-P energy: -89.910
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: 5, replica: 9
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -1784.576084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.576084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.576084 (E_RNA)
where:
Base-Base interactions energy: -1233.058
where: short stacking energy: -522.033
Base-Backbone interact. energy: -2.640
local terms energy: -548.877272
where:
bonds (distance) C4'-P energy: -94.402
bonds (distance) P-C4' energy: -107.553
flat angles C4'-P-C4' energy: -121.336
flat angles P-C4'-P energy: -80.361
tors. eta vs tors. theta energy: -145.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -1457.424712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.424712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.424712 (E_RNA)
where:
Base-Base interactions energy: -947.656
where: short stacking energy: -421.611
Base-Backbone interact. energy: 1.252
local terms energy: -511.020890
where:
bonds (distance) C4'-P energy: -96.375
bonds (distance) P-C4' energy: -106.251
flat angles C4'-P-C4' energy: -117.203
flat angles P-C4'-P energy: -83.409
tors. eta vs tors. theta energy: -107.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -1214.768416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.768416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.768416 (E_RNA)
where:
Base-Base interactions energy: -772.784
where: short stacking energy: -343.475
Base-Backbone interact. energy: 9.045
local terms energy: -451.028714
where:
bonds (distance) C4'-P energy: -95.824
bonds (distance) P-C4' energy: -107.113
flat angles C4'-P-C4' energy: -93.601
flat angles P-C4'-P energy: -70.789
tors. eta vs tors. theta energy: -83.702
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: 8, replica: 1
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -1024.760450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.760450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.760450 (E_RNA)
where:
Base-Base interactions energy: -638.925
where: short stacking energy: -290.577
Base-Backbone interact. energy: 1.783
local terms energy: -387.618450
where:
bonds (distance) C4'-P energy: -104.235
bonds (distance) P-C4' energy: -100.069
flat angles C4'-P-C4' energy: -93.087
flat angles P-C4'-P energy: -44.578
tors. eta vs tors. theta energy: -45.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -820.846812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.846812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.846812 (E_RNA)
where:
Base-Base interactions energy: -469.588
where: short stacking energy: -219.925
Base-Backbone interact. energy: 6.224
local terms energy: -357.483413
where:
bonds (distance) C4'-P energy: -94.343
bonds (distance) P-C4' energy: -93.861
flat angles C4'-P-C4' energy: -90.692
flat angles P-C4'-P energy: -54.188
tors. eta vs tors. theta energy: -24.400
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: 6
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -579.611518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.611518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.611518 (E_RNA)
where:
Base-Base interactions energy: -271.831
where: short stacking energy: -155.592
Base-Backbone interact. energy: -1.101
local terms energy: -306.680034
where:
bonds (distance) C4'-P energy: -84.896
bonds (distance) P-C4' energy: -106.689
flat angles C4'-P-C4' energy: -84.338
flat angles P-C4'-P energy: -27.616
tors. eta vs tors. theta energy: -3.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -2130.903920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.903920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.903920 (E_RNA)
where:
Base-Base interactions energy: -1489.691
where: short stacking energy: -632.824
Base-Backbone interact. energy: -2.891
local terms energy: -638.321107
where:
bonds (distance) C4'-P energy: -115.002
bonds (distance) P-C4' energy: -120.522
flat angles C4'-P-C4' energy: -131.067
flat angles P-C4'-P energy: -87.183
tors. eta vs tors. theta energy: -184.547
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: 469
Temperature: 0.950000
Total energy: -2058.540746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.540746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.540746 (E_RNA)
where:
Base-Base interactions energy: -1426.538
where: short stacking energy: -572.131
Base-Backbone interact. energy: -2.786
local terms energy: -629.216704
where:
bonds (distance) C4'-P energy: -107.696
bonds (distance) P-C4' energy: -115.904
flat angles C4'-P-C4' energy: -139.720
flat angles P-C4'-P energy: -95.566
tors. eta vs tors. theta energy: -170.332
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: 3, replica: 7
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -2018.528444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.528444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.528444 (E_RNA)
where:
Base-Base interactions energy: -1381.289
where: short stacking energy: -601.710
Base-Backbone interact. energy: -2.345
local terms energy: -634.894153
where:
bonds (distance) C4'-P energy: -113.740
bonds (distance) P-C4' energy: -130.768
flat angles C4'-P-C4' energy: -123.947
flat angles P-C4'-P energy: -75.318
tors. eta vs tors. theta energy: -191.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -1828.441667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.441667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.441667 (E_RNA)
where:
Base-Base interactions energy: -1265.140
where: short stacking energy: -510.785
Base-Backbone interact. energy: -3.574
local terms energy: -559.728253
where:
bonds (distance) C4'-P energy: -107.178
bonds (distance) P-C4' energy: -111.892
flat angles C4'-P-C4' energy: -113.643
flat angles P-C4'-P energy: -87.359
tors. eta vs tors. theta energy: -139.655
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: 10
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -1783.379879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.379879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.379879 (E_RNA)
where:
Base-Base interactions energy: -1245.996
where: short stacking energy: -524.069
Base-Backbone interact. energy: 2.339
local terms energy: -539.722935
where:
bonds (distance) C4'-P energy: -101.613
bonds (distance) P-C4' energy: -97.891
flat angles C4'-P-C4' energy: -119.943
flat angles P-C4'-P energy: -72.246
tors. eta vs tors. theta energy: -148.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -1462.352344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.352344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.352344 (E_RNA)
where:
Base-Base interactions energy: -969.493
where: short stacking energy: -434.708
Base-Backbone interact. energy: 0.599
local terms energy: -493.458139
where:
bonds (distance) C4'-P energy: -113.241
bonds (distance) P-C4' energy: -99.449
flat angles C4'-P-C4' energy: -108.888
flat angles P-C4'-P energy: -60.389
tors. eta vs tors. theta energy: -111.491
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: 2
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -1243.900223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.900223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.900223 (E_RNA)
where:
Base-Base interactions energy: -784.030
where: short stacking energy: -380.428
Base-Backbone interact. energy: -1.280
local terms energy: -458.590027
where:
bonds (distance) C4'-P energy: -93.953
bonds (distance) P-C4' energy: -109.937
flat angles C4'-P-C4' energy: -100.576
flat angles P-C4'-P energy: -66.729
tors. eta vs tors. theta energy: -87.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -1035.071733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.071733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.071733 (E_RNA)
where:
Base-Base interactions energy: -626.798
where: short stacking energy: -273.205
Base-Backbone interact. energy: -1.984
local terms energy: -406.290071
where:
bonds (distance) C4'-P energy: -91.691
bonds (distance) P-C4' energy: -105.947
flat angles C4'-P-C4' energy: -94.140
flat angles P-C4'-P energy: -65.059
tors. eta vs tors. theta energy: -49.452
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: 5
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -800.936131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.936131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.936131 (E_RNA)
where:
Base-Base interactions energy: -452.348
where: short stacking energy: -227.418
Base-Backbone interact. energy: -2.939
local terms energy: -345.648874
where:
bonds (distance) C4'-P energy: -93.300
bonds (distance) P-C4' energy: -94.108
flat angles C4'-P-C4' energy: -96.655
flat angles P-C4'-P energy: -57.926
tors. eta vs tors. theta energy: -3.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -628.002131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.002131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.002131 (E_RNA)
where:
Base-Base interactions energy: -305.295
where: short stacking energy: -180.090
Base-Backbone interact. energy: -2.586
local terms energy: -320.120643
where:
bonds (distance) C4'-P energy: -90.971
bonds (distance) P-C4' energy: -102.305
flat angles C4'-P-C4' energy: -81.587
flat angles P-C4'-P energy: -38.924
tors. eta vs tors. theta energy: -6.334
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: 1, replica: 8
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -2134.466158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.466158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.466158 (E_RNA)
where:
Base-Base interactions energy: -1485.031
where: short stacking energy: -610.507
Base-Backbone interact. energy: -4.339
local terms energy: -645.096189
where:
bonds (distance) C4'-P energy: -114.489
bonds (distance) P-C4' energy: -124.442
flat angles C4'-P-C4' energy: -140.170
flat angles P-C4'-P energy: -87.784
tors. eta vs tors. theta energy: -178.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -2076.052669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.052669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.052669 (E_RNA)
where:
Base-Base interactions energy: -1457.146
where: short stacking energy: -611.562
Base-Backbone interact. energy: -1.429
local terms energy: -617.478390
where:
bonds (distance) C4'-P energy: -114.686
bonds (distance) P-C4' energy: -110.816
flat angles C4'-P-C4' energy: -129.479
flat angles P-C4'-P energy: -90.669
tors. eta vs tors. theta energy: -171.829
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: 470
Temperature: 1.000000
Total energy: -2008.149764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.149764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.149764 (E_RNA)
where:
Base-Base interactions energy: -1369.431
where: short stacking energy: -605.008
Base-Backbone interact. energy: -1.357
local terms energy: -637.361436
where:
bonds (distance) C4'-P energy: -116.015
bonds (distance) P-C4' energy: -112.136
flat angles C4'-P-C4' energy: -140.567
flat angles P-C4'-P energy: -81.135
tors. eta vs tors. theta energy: -187.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -1857.710322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.710322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.710322 (E_RNA)
where:
Base-Base interactions energy: -1289.597
where: short stacking energy: -522.583
Base-Backbone interact. energy: 3.829
local terms energy: -571.942506
where:
bonds (distance) C4'-P energy: -124.048
bonds (distance) P-C4' energy: -115.143
flat angles C4'-P-C4' energy: -107.237
flat angles P-C4'-P energy: -74.338
tors. eta vs tors. theta energy: -151.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -1803.046871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.046871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.046871 (E_RNA)
where:
Base-Base interactions energy: -1248.594
where: short stacking energy: -534.270
Base-Backbone interact. energy: -0.233
local terms energy: -554.220539
where:
bonds (distance) C4'-P energy: -100.611
bonds (distance) P-C4' energy: -108.713
flat angles C4'-P-C4' energy: -116.751
flat angles P-C4'-P energy: -78.495
tors. eta vs tors. theta energy: -149.651
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: 3
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -1479.481230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.481230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.481230 (E_RNA)
where:
Base-Base interactions energy: -974.172
where: short stacking energy: -397.179
Base-Backbone interact. energy: -3.651
local terms energy: -501.658427
where:
bonds (distance) C4'-P energy: -95.574
bonds (distance) P-C4' energy: -107.481
flat angles C4'-P-C4' energy: -123.192
flat angles P-C4'-P energy: -75.635
tors. eta vs tors. theta energy: -99.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -1306.979717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.979717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.979717 (E_RNA)
where:
Base-Base interactions energy: -821.461
where: short stacking energy: -381.929
Base-Backbone interact. energy: 0.750
local terms energy: -486.268995
where:
bonds (distance) C4'-P energy: -105.931
bonds (distance) P-C4' energy: -99.744
flat angles C4'-P-C4' energy: -105.887
flat angles P-C4'-P energy: -74.048
tors. eta vs tors. theta energy: -100.660
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: 1
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -941.619252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.619252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.619252 (E_RNA)
where:
Base-Base interactions energy: -577.434
where: short stacking energy: -284.353
Base-Backbone interact. energy: 2.646
local terms energy: -366.831158
where:
bonds (distance) C4'-P energy: -90.962
bonds (distance) P-C4' energy: -93.651
flat angles C4'-P-C4' energy: -86.103
flat angles P-C4'-P energy: -60.040
tors. eta vs tors. theta energy: -36.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -851.196384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.196384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.196384 (E_RNA)
where:
Base-Base interactions energy: -464.967
where: short stacking energy: -259.961
Base-Backbone interact. energy: -2.197
local terms energy: -384.032256
where:
bonds (distance) C4'-P energy: -98.146
bonds (distance) P-C4' energy: -95.800
flat angles C4'-P-C4' energy: -94.689
flat angles P-C4'-P energy: -59.086
tors. eta vs tors. theta energy: -36.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -619.930810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.930810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.930810 (E_RNA)
where:
Base-Base interactions energy: -299.772
where: short stacking energy: -169.197
Base-Backbone interact. energy: 1.850
local terms energy: -322.008905
where:
bonds (distance) C4'-P energy: -104.891
bonds (distance) P-C4' energy: -104.075
flat angles C4'-P-C4' energy: -70.960
flat angles P-C4'-P energy: -44.759
tors. eta vs tors. theta energy: 2.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -2150.349807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.349807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.349807 (E_RNA)
where:
Base-Base interactions energy: -1507.102
where: short stacking energy: -621.082
Base-Backbone interact. energy: -2.263
local terms energy: -640.984733
where:
bonds (distance) C4'-P energy: -115.261
bonds (distance) P-C4' energy: -114.972
flat angles C4'-P-C4' energy: -124.202
flat angles P-C4'-P energy: -96.961
tors. eta vs tors. theta energy: -189.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -2029.837167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.837167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.837167 (E_RNA)
where:
Base-Base interactions energy: -1407.342
where: short stacking energy: -571.883
Base-Backbone interact. energy: -1.736
local terms energy: -620.759107
where:
bonds (distance) C4'-P energy: -112.127
bonds (distance) P-C4' energy: -122.464
flat angles C4'-P-C4' energy: -138.047
flat angles P-C4'-P energy: -86.796
tors. eta vs tors. theta energy: -161.326
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: 7
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -1971.411944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.411944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.411944 (E_RNA)
where:
Base-Base interactions energy: -1393.787
where: short stacking energy: -593.524
Base-Backbone interact. energy: -1.501
local terms energy: -576.123944
where:
bonds (distance) C4'-P energy: -102.049
bonds (distance) P-C4' energy: -93.775
flat angles C4'-P-C4' energy: -129.490
flat angles P-C4'-P energy: -75.167
tors. eta vs tors. theta energy: -175.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -1816.219066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.219066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.219066 (E_RNA)
where:
Base-Base interactions energy: -1293.557
where: short stacking energy: -542.307
Base-Backbone interact. energy: -2.713
local terms energy: -519.948403
where:
bonds (distance) C4'-P energy: -97.355
bonds (distance) P-C4' energy: -109.060
flat angles C4'-P-C4' energy: -108.306
flat angles P-C4'-P energy: -58.079
tors. eta vs tors. theta energy: -147.148
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: 10
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -1808.138520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.138520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.138520 (E_RNA)
where:
Base-Base interactions energy: -1251.929
where: short stacking energy: -525.478
Base-Backbone interact. energy: -1.298
local terms energy: -554.911926
where:
bonds (distance) C4'-P energy: -105.437
bonds (distance) P-C4' energy: -106.670
flat angles C4'-P-C4' energy: -114.192
flat angles P-C4'-P energy: -81.892
tors. eta vs tors. theta energy: -146.720
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: 3
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -1463.924990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.924990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.924990 (E_RNA)
where:
Base-Base interactions energy: -966.653
where: short stacking energy: -416.528
Base-Backbone interact. energy: -2.013
local terms energy: -495.258814
where:
bonds (distance) C4'-P energy: -114.530
bonds (distance) P-C4' energy: -105.238
flat angles C4'-P-C4' energy: -110.033
flat angles P-C4'-P energy: -71.209
tors. eta vs tors. theta energy: -94.247
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: 2
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -1295.559464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.559464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.559464 (E_RNA)
where:
Base-Base interactions energy: -842.193
where: short stacking energy: -362.130
Base-Backbone interact. energy: -0.999
local terms energy: -452.367157
where:
bonds (distance) C4'-P energy: -93.323
bonds (distance) P-C4' energy: -109.987
flat angles C4'-P-C4' energy: -103.600
flat angles P-C4'-P energy: -46.583
tors. eta vs tors. theta energy: -98.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -874.945827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.945827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.945827 (E_RNA)
where:
Base-Base interactions energy: -508.829
where: short stacking energy: -239.824
Base-Backbone interact. energy: -0.824
local terms energy: -365.292244
where:
bonds (distance) C4'-P energy: -90.753
bonds (distance) P-C4' energy: -91.539
flat angles C4'-P-C4' energy: -86.297
flat angles P-C4'-P energy: -62.432
tors. eta vs tors. theta energy: -34.271
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: 1
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -974.946786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.946786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.946786 (E_RNA)
where:
Base-Base interactions energy: -605.261
where: short stacking energy: -293.656
Base-Backbone interact. energy: 1.151
local terms energy: -370.836506
where:
bonds (distance) C4'-P energy: -98.551
bonds (distance) P-C4' energy: -99.408
flat angles C4'-P-C4' energy: -71.520
flat angles P-C4'-P energy: -52.310
tors. eta vs tors. theta energy: -49.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -622.604078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.604078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.604078 (E_RNA)
where:
Base-Base interactions energy: -299.986
where: short stacking energy: -153.658
Base-Backbone interact. energy: 3.355
local terms energy: -325.972877
where:
bonds (distance) C4'-P energy: -99.684
bonds (distance) P-C4' energy: -100.777
flat angles C4'-P-C4' energy: -78.673
flat angles P-C4'-P energy: -54.409
tors. eta vs tors. theta energy: 7.570
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: 1, replica: 8
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -2136.833174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.833174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.833174 (E_RNA)
where:
Base-Base interactions energy: -1487.990
where: short stacking energy: -600.584
Base-Backbone interact. energy: -1.554
local terms energy: -647.289839
where:
bonds (distance) C4'-P energy: -110.687
bonds (distance) P-C4' energy: -125.563
flat angles C4'-P-C4' energy: -133.151
flat angles P-C4'-P energy: -85.162
tors. eta vs tors. theta energy: -192.728
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: 472
Temperature: 0.950000
Total energy: -2081.943580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.943580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.943580 (E_RNA)
where:
Base-Base interactions energy: -1459.999
where: short stacking energy: -584.449
Base-Backbone interact. energy: 0.035
local terms energy: -621.979794
where:
bonds (distance) C4'-P energy: -115.143
bonds (distance) P-C4' energy: -113.081
flat angles C4'-P-C4' energy: -130.749
flat angles P-C4'-P energy: -87.719
tors. eta vs tors. theta energy: -175.289
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: 472
Temperature: 1.000000
Total energy: -1975.757220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.757220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.757220 (E_RNA)
where:
Base-Base interactions energy: -1346.538
where: short stacking energy: -574.573
Base-Backbone interact. energy: -2.839
local terms energy: -626.379886
where:
bonds (distance) C4'-P energy: -108.886
bonds (distance) P-C4' energy: -109.925
flat angles C4'-P-C4' energy: -132.994
flat angles P-C4'-P energy: -93.994
tors. eta vs tors. theta energy: -180.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -1828.098246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.098246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.098246 (E_RNA)
where:
Base-Base interactions energy: -1250.459
where: short stacking energy: -507.470
Base-Backbone interact. energy: -6.136
local terms energy: -571.502753
where:
bonds (distance) C4'-P energy: -108.238
bonds (distance) P-C4' energy: -102.420
flat angles C4'-P-C4' energy: -121.303
flat angles P-C4'-P energy: -90.793
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: 5, replica: 10
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -1758.953169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.953169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.953169 (E_RNA)
where:
Base-Base interactions energy: -1197.899
where: short stacking energy: -502.012
Base-Backbone interact. energy: -0.120
local terms energy: -560.934191
where:
bonds (distance) C4'-P energy: -104.741
bonds (distance) P-C4' energy: -114.469
flat angles C4'-P-C4' energy: -120.962
flat angles P-C4'-P energy: -81.303
tors. eta vs tors. theta energy: -139.459
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: 3
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -1516.077959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.077959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.077959 (E_RNA)
where:
Base-Base interactions energy: -995.745
where: short stacking energy: -443.805
Base-Backbone interact. energy: -0.912
local terms energy: -519.420718
where:
bonds (distance) C4'-P energy: -122.535
bonds (distance) P-C4' energy: -115.373
flat angles C4'-P-C4' energy: -111.400
flat angles P-C4'-P energy: -67.214
tors. eta vs tors. theta energy: -102.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -1288.819907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.819907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.819907 (E_RNA)
where:
Base-Base interactions energy: -857.340
where: short stacking energy: -372.112
Base-Backbone interact. energy: 13.022
local terms energy: -444.501523
where:
bonds (distance) C4'-P energy: -90.584
bonds (distance) P-C4' energy: -93.987
flat angles C4'-P-C4' energy: -104.649
flat angles P-C4'-P energy: -62.277
tors. eta vs tors. theta energy: -93.005
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: 5
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -918.524776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.524776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.524776 (E_RNA)
where:
Base-Base interactions energy: -530.717
where: short stacking energy: -244.230
Base-Backbone interact. energy: 0.692
local terms energy: -388.499647
where:
bonds (distance) C4'-P energy: -103.953
bonds (distance) P-C4' energy: -101.272
flat angles C4'-P-C4' energy: -94.801
flat angles P-C4'-P energy: -49.121
tors. eta vs tors. theta energy: -39.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -924.599620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.599620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.599620 (E_RNA)
where:
Base-Base interactions energy: -553.461
where: short stacking energy: -274.379
Base-Backbone interact. energy: 0.025
local terms energy: -371.164003
where:
bonds (distance) C4'-P energy: -82.979
bonds (distance) P-C4' energy: -99.998
flat angles C4'-P-C4' energy: -102.248
flat angles P-C4'-P energy: -57.847
tors. eta vs tors. theta energy: -28.092
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: 6
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -610.085225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.085225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.085225 (E_RNA)
where:
Base-Base interactions energy: -348.032
where: short stacking energy: -195.246
Base-Backbone interact. energy: -0.210
local terms energy: -261.842757
where:
bonds (distance) C4'-P energy: -61.372
bonds (distance) P-C4' energy: -88.057
flat angles C4'-P-C4' energy: -83.682
flat angles P-C4'-P energy: -30.908
tors. eta vs tors. theta energy: 2.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -2174.727299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.727299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.727299 (E_RNA)
where:
Base-Base interactions energy: -1521.536
where: short stacking energy: -631.412
Base-Backbone interact. energy: -2.431
local terms energy: -650.760929
where:
bonds (distance) C4'-P energy: -112.603
bonds (distance) P-C4' energy: -121.672
flat angles C4'-P-C4' energy: -138.934
flat angles P-C4'-P energy: -83.933
tors. eta vs tors. theta energy: -193.619
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: 4
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -2059.148168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.148168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.148168 (E_RNA)
where:
Base-Base interactions energy: -1440.000
where: short stacking energy: -599.186
Base-Backbone interact. energy: -3.441
local terms energy: -615.707414
where:
bonds (distance) C4'-P energy: -94.827
bonds (distance) P-C4' energy: -117.469
flat angles C4'-P-C4' energy: -129.781
flat angles P-C4'-P energy: -94.379
tors. eta vs tors. theta energy: -179.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1967.948322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.948322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.948322 (E_RNA)
where:
Base-Base interactions energy: -1390.586
where: short stacking energy: -599.492
Base-Backbone interact. energy: -2.004
local terms energy: -575.358216
where:
bonds (distance) C4'-P energy: -110.851
bonds (distance) P-C4' energy: -106.598
flat angles C4'-P-C4' energy: -120.948
flat angles P-C4'-P energy: -70.396
tors. eta vs tors. theta energy: -166.565
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: 9
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -1872.480412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.480412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.480412 (E_RNA)
where:
Base-Base interactions energy: -1285.497
where: short stacking energy: -520.051
Base-Backbone interact. energy: -0.706
local terms energy: -586.277339
where:
bonds (distance) C4'-P energy: -107.898
bonds (distance) P-C4' energy: -111.933
flat angles C4'-P-C4' energy: -123.051
flat angles P-C4'-P energy: -86.712
tors. eta vs tors. theta energy: -156.683
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: 10
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -1742.841256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.841256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.841256 (E_RNA)
where:
Base-Base interactions energy: -1196.331
where: short stacking energy: -509.290
Base-Backbone interact. energy: -1.387
local terms energy: -545.123170
where:
bonds (distance) C4'-P energy: -90.423
bonds (distance) P-C4' energy: -109.942
flat angles C4'-P-C4' energy: -123.287
flat angles P-C4'-P energy: -77.801
tors. eta vs tors. theta energy: -143.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -1571.070534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.070534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.070534 (E_RNA)
where:
Base-Base interactions energy: -1068.832
where: short stacking energy: -435.091
Base-Backbone interact. energy: -2.081
local terms energy: -500.157628
where:
bonds (distance) C4'-P energy: -76.808
bonds (distance) P-C4' energy: -111.139
flat angles C4'-P-C4' energy: -111.250
flat angles P-C4'-P energy: -66.286
tors. eta vs tors. theta energy: -134.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -1264.420336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.420336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.420336 (E_RNA)
where:
Base-Base interactions energy: -819.527
where: short stacking energy: -379.002
Base-Backbone interact. energy: -2.275
local terms energy: -442.618349
where:
bonds (distance) C4'-P energy: -99.103
bonds (distance) P-C4' energy: -106.093
flat angles C4'-P-C4' energy: -99.720
flat angles P-C4'-P energy: -59.679
tors. eta vs tors. theta energy: -78.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -1045.168469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.168469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.168469 (E_RNA)
where:
Base-Base interactions energy: -639.014
where: short stacking energy: -285.043
Base-Backbone interact. energy: 4.679
local terms energy: -410.833214
where:
bonds (distance) C4'-P energy: -109.722
bonds (distance) P-C4' energy: -88.857
flat angles C4'-P-C4' energy: -90.847
flat angles P-C4'-P energy: -74.139
tors. eta vs tors. theta energy: -47.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -862.088515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.088515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.088515 (E_RNA)
where:
Base-Base interactions energy: -499.483
where: short stacking energy: -230.603
Base-Backbone interact. energy: -1.229
local terms energy: -361.377295
where:
bonds (distance) C4'-P energy: -99.520
bonds (distance) P-C4' energy: -100.216
flat angles C4'-P-C4' energy: -77.240
flat angles P-C4'-P energy: -55.883
tors. eta vs tors. theta energy: -28.518
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: 6
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -651.308362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.308362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.308362 (E_RNA)
where:
Base-Base interactions energy: -325.429
where: short stacking energy: -192.086
Base-Backbone interact. energy: 3.794
local terms energy: -329.673757
where:
bonds (distance) C4'-P energy: -86.832
bonds (distance) P-C4' energy: -94.528
flat angles C4'-P-C4' energy: -100.410
flat angles P-C4'-P energy: -53.738
tors. eta vs tors. theta energy: 5.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -2177.024419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.024419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.024419 (E_RNA)
where:
Base-Base interactions energy: -1515.988
where: short stacking energy: -623.419
Base-Backbone interact. energy: -2.567
local terms energy: -658.470252
where:
bonds (distance) C4'-P energy: -116.027
bonds (distance) P-C4' energy: -113.793
flat angles C4'-P-C4' energy: -145.981
flat angles P-C4'-P energy: -87.513
tors. eta vs tors. theta energy: -195.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -2054.394167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.394167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.394167 (E_RNA)
where:
Base-Base interactions energy: -1427.050
where: short stacking energy: -584.384
Base-Backbone interact. energy: -2.682
local terms energy: -624.661726
where:
bonds (distance) C4'-P energy: -119.622
bonds (distance) P-C4' energy: -125.191
flat angles C4'-P-C4' energy: -128.063
flat angles P-C4'-P energy: -83.131
tors. eta vs tors. theta energy: -168.654
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: 474
Temperature: 1.000000
Total energy: -1986.055814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.055814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.055814 (E_RNA)
where:
Base-Base interactions energy: -1364.698
where: short stacking energy: -575.190
Base-Backbone interact. energy: -0.298
local terms energy: -621.059594
where:
bonds (distance) C4'-P energy: -112.404
bonds (distance) P-C4' energy: -117.988
flat angles C4'-P-C4' energy: -134.769
flat angles P-C4'-P energy: -77.653
tors. eta vs tors. theta energy: -178.246
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: 4, replica: 9
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -1870.593830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.593830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.593830 (E_RNA)
where:
Base-Base interactions energy: -1272.372
where: short stacking energy: -528.581
Base-Backbone interact. energy: -1.912
local terms energy: -596.310318
where:
bonds (distance) C4'-P energy: -111.333
bonds (distance) P-C4' energy: -102.221
flat angles C4'-P-C4' energy: -122.461
flat angles P-C4'-P energy: -95.014
tors. eta vs tors. theta energy: -165.281
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: 10
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -1751.402106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.402106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.402106 (E_RNA)
where:
Base-Base interactions energy: -1202.842
where: short stacking energy: -506.968
Base-Backbone interact. energy: 1.502
local terms energy: -550.061422
where:
bonds (distance) C4'-P energy: -113.659
bonds (distance) P-C4' energy: -97.316
flat angles C4'-P-C4' energy: -122.733
flat angles P-C4'-P energy: -77.791
tors. eta vs tors. theta energy: -138.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -1554.911850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.911850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.911850 (E_RNA)
where:
Base-Base interactions energy: -1036.982
where: short stacking energy: -454.945
Base-Backbone interact. energy: 0.262
local terms energy: -518.191462
where:
bonds (distance) C4'-P energy: -96.195
bonds (distance) P-C4' energy: -116.544
flat angles C4'-P-C4' energy: -114.845
flat angles P-C4'-P energy: -68.003
tors. eta vs tors. theta energy: -122.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -1272.607256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.607256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.607256 (E_RNA)
where:
Base-Base interactions energy: -815.017
where: short stacking energy: -337.837
Base-Backbone interact. energy: -1.848
local terms energy: -455.742702
where:
bonds (distance) C4'-P energy: -95.720
bonds (distance) P-C4' energy: -109.346
flat angles C4'-P-C4' energy: -107.164
flat angles P-C4'-P energy: -77.194
tors. eta vs tors. theta energy: -66.318
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: 8, replica: 1
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -1087.548555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.548555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.548555 (E_RNA)
where:
Base-Base interactions energy: -662.824
where: short stacking energy: -294.923
Base-Backbone interact. energy: 0.421
local terms energy: -425.146073
where:
bonds (distance) C4'-P energy: -95.678
bonds (distance) P-C4' energy: -91.352
flat angles C4'-P-C4' energy: -110.055
flat angles P-C4'-P energy: -69.685
tors. eta vs tors. theta energy: -58.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -801.062991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.062991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.062991 (E_RNA)
where:
Base-Base interactions energy: -467.933
where: short stacking energy: -215.508
Base-Backbone interact. energy: -0.462
local terms energy: -332.668241
where:
bonds (distance) C4'-P energy: -92.929
bonds (distance) P-C4' energy: -92.214
flat angles C4'-P-C4' energy: -84.913
flat angles P-C4'-P energy: -53.941
tors. eta vs tors. theta energy: -8.671
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: 6
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -602.416975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.416975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.416975 (E_RNA)
where:
Base-Base interactions energy: -293.262
where: short stacking energy: -177.119
Base-Backbone interact. energy: 2.099
local terms energy: -311.254175
where:
bonds (distance) C4'-P energy: -88.982
bonds (distance) P-C4' energy: -97.696
flat angles C4'-P-C4' energy: -82.652
flat angles P-C4'-P energy: -44.315
tors. eta vs tors. theta energy: 2.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -2144.480063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.480063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.480063 (E_RNA)
where:
Base-Base interactions energy: -1494.060
where: short stacking energy: -632.601
Base-Backbone interact. energy: -2.030
local terms energy: -648.390015
where:
bonds (distance) C4'-P energy: -112.122
bonds (distance) P-C4' energy: -119.111
flat angles C4'-P-C4' energy: -140.049
flat angles P-C4'-P energy: -90.638
tors. eta vs tors. theta energy: -186.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -2062.597641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.597641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.597641 (E_RNA)
where:
Base-Base interactions energy: -1449.126
where: short stacking energy: -593.367
Base-Backbone interact. energy: -2.716
local terms energy: -610.755500
where:
bonds (distance) C4'-P energy: -114.444
bonds (distance) P-C4' energy: -110.301
flat angles C4'-P-C4' energy: -133.745
flat angles P-C4'-P energy: -80.568
tors. eta vs tors. theta energy: -171.697
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: 7
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -2020.778629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.778629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.778629 (E_RNA)
where:
Base-Base interactions energy: -1390.475
where: short stacking energy: -584.216
Base-Backbone interact. energy: -3.049
local terms energy: -627.255417
where:
bonds (distance) C4'-P energy: -123.674
bonds (distance) P-C4' energy: -110.844
flat angles C4'-P-C4' energy: -133.403
flat angles P-C4'-P energy: -74.955
tors. eta vs tors. theta energy: -184.380
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: 9
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -1880.827755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.827755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.827755 (E_RNA)
where:
Base-Base interactions energy: -1304.548
where: short stacking energy: -524.169
Base-Backbone interact. energy: -2.496
local terms energy: -573.783785
where:
bonds (distance) C4'-P energy: -109.196
bonds (distance) P-C4' energy: -115.431
flat angles C4'-P-C4' energy: -129.841
flat angles P-C4'-P energy: -61.229
tors. eta vs tors. theta energy: -158.088
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: 5, replica: 10
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -1762.022626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.022626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.022626 (E_RNA)
where:
Base-Base interactions energy: -1196.629
where: short stacking energy: -532.051
Base-Backbone interact. energy: -0.747
local terms energy: -564.646067
where:
bonds (distance) C4'-P energy: -115.055
bonds (distance) P-C4' energy: -103.158
flat angles C4'-P-C4' energy: -124.869
flat angles P-C4'-P energy: -77.789
tors. eta vs tors. theta energy: -143.774
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: 3
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -1561.611648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.611648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.611648 (E_RNA)
where:
Base-Base interactions energy: -1042.551
where: short stacking energy: -461.574
Base-Backbone interact. energy: -1.345
local terms energy: -517.715694
where:
bonds (distance) C4'-P energy: -108.743
bonds (distance) P-C4' energy: -109.508
flat angles C4'-P-C4' energy: -105.472
flat angles P-C4'-P energy: -70.487
tors. eta vs tors. theta energy: -123.505
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: 2
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -1378.154341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.154341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.154341 (E_RNA)
where:
Base-Base interactions energy: -865.690
where: short stacking energy: -409.320
Base-Backbone interact. energy: -0.913
local terms energy: -511.551078
where:
bonds (distance) C4'-P energy: -92.696
bonds (distance) P-C4' energy: -110.822
flat angles C4'-P-C4' energy: -112.823
flat angles P-C4'-P energy: -83.423
tors. eta vs tors. theta energy: -111.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -1085.893271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.893271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.893271 (E_RNA)
where:
Base-Base interactions energy: -650.998
where: short stacking energy: -301.872
Base-Backbone interact. energy: -2.686
local terms energy: -432.209129
where:
bonds (distance) C4'-P energy: -73.287
bonds (distance) P-C4' energy: -119.560
flat angles C4'-P-C4' energy: -95.648
flat angles P-C4'-P energy: -72.683
tors. eta vs tors. theta energy: -71.031
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: 475
Temperature: 1.300000
Total energy: -871.745184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.745184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.745184 (E_RNA)
where:
Base-Base interactions energy: -474.042
where: short stacking energy: -215.860
Base-Backbone interact. energy: -2.754
local terms energy: -394.949481
where:
bonds (distance) C4'-P energy: -110.976
bonds (distance) P-C4' energy: -97.071
flat angles C4'-P-C4' energy: -97.198
flat angles P-C4'-P energy: -66.446
tors. eta vs tors. theta energy: -23.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -604.216317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.216317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.216317 (E_RNA)
where:
Base-Base interactions energy: -278.693
where: short stacking energy: -166.819
Base-Backbone interact. energy: -0.942
local terms energy: -324.581336
where:
bonds (distance) C4'-P energy: -89.483
bonds (distance) P-C4' energy: -96.722
flat angles C4'-P-C4' energy: -90.185
flat angles P-C4'-P energy: -36.622
tors. eta vs tors. theta energy: -11.569
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: 1, replica: 8
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -2148.155425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.155425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.155425 (E_RNA)
where:
Base-Base interactions energy: -1508.160
where: short stacking energy: -622.630
Base-Backbone interact. energy: -0.424
local terms energy: -639.571588
where:
bonds (distance) C4'-P energy: -115.523
bonds (distance) P-C4' energy: -115.460
flat angles C4'-P-C4' energy: -136.800
flat angles P-C4'-P energy: -88.026
tors. eta vs tors. theta energy: -183.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -2062.128043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.128043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.128043 (E_RNA)
where:
Base-Base interactions energy: -1445.607
where: short stacking energy: -559.795
Base-Backbone interact. energy: -1.794
local terms energy: -614.727350
where:
bonds (distance) C4'-P energy: -107.845
bonds (distance) P-C4' energy: -128.831
flat angles C4'-P-C4' energy: -126.095
flat angles P-C4'-P energy: -85.468
tors. eta vs tors. theta energy: -166.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -2017.941146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.941146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.941146 (E_RNA)
where:
Base-Base interactions energy: -1423.656
where: short stacking energy: -593.875
Base-Backbone interact. energy: 0.608
local terms energy: -594.893752
where:
bonds (distance) C4'-P energy: -96.700
bonds (distance) P-C4' energy: -107.601
flat angles C4'-P-C4' energy: -132.585
flat angles P-C4'-P energy: -83.183
tors. eta vs tors. theta energy: -174.824
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: 9
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -1865.698481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.698481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.698481 (E_RNA)
where:
Base-Base interactions energy: -1297.093
where: short stacking energy: -533.719
Base-Backbone interact. energy: -2.606
local terms energy: -565.999853
where:
bonds (distance) C4'-P energy: -106.068
bonds (distance) P-C4' energy: -108.120
flat angles C4'-P-C4' energy: -122.159
flat angles P-C4'-P energy: -73.680
tors. eta vs tors. theta energy: -155.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -1769.975727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.975727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.975727 (E_RNA)
where:
Base-Base interactions energy: -1219.290
where: short stacking energy: -522.765
Base-Backbone interact. energy: -1.660
local terms energy: -549.026089
where:
bonds (distance) C4'-P energy: -94.952
bonds (distance) P-C4' energy: -107.580
flat angles C4'-P-C4' energy: -122.219
flat angles P-C4'-P energy: -76.645
tors. eta vs tors. theta energy: -147.629
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: 3
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -1564.531787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.531787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.531787 (E_RNA)
where:
Base-Base interactions energy: -1058.243
where: short stacking energy: -444.981
Base-Backbone interact. energy: -0.148
local terms energy: -506.141108
where:
bonds (distance) C4'-P energy: -81.680
bonds (distance) P-C4' energy: -107.715
flat angles C4'-P-C4' energy: -119.276
flat angles P-C4'-P energy: -73.372
tors. eta vs tors. theta energy: -124.099
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: 2
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -1367.685032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.685032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.685032 (E_RNA)
where:
Base-Base interactions energy: -901.541
where: short stacking energy: -400.647
Base-Backbone interact. energy: 0.197
local terms energy: -466.340800
where:
bonds (distance) C4'-P energy: -108.855
bonds (distance) P-C4' energy: -86.292
flat angles C4'-P-C4' energy: -101.383
flat angles P-C4'-P energy: -61.313
tors. eta vs tors. theta energy: -108.497
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: 1
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -1047.423887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.423887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.423887 (E_RNA)
where:
Base-Base interactions energy: -643.231
where: short stacking energy: -275.704
Base-Backbone interact. energy: -0.130
local terms energy: -404.062986
where:
bonds (distance) C4'-P energy: -98.332
bonds (distance) P-C4' energy: -115.644
flat angles C4'-P-C4' energy: -90.957
flat angles P-C4'-P energy: -53.322
tors. eta vs tors. theta energy: -45.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -857.455551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.455551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.455551 (E_RNA)
where:
Base-Base interactions energy: -480.360
where: short stacking energy: -243.904
Base-Backbone interact. energy: -1.670
local terms energy: -375.425662
where:
bonds (distance) C4'-P energy: -80.094
bonds (distance) P-C4' energy: -98.883
flat angles C4'-P-C4' energy: -106.200
flat angles P-C4'-P energy: -67.488
tors. eta vs tors. theta energy: -22.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -651.759655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.759655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.759655 (E_RNA)
where:
Base-Base interactions energy: -308.256
where: short stacking energy: -197.421
Base-Backbone interact. energy: 0.799
local terms energy: -344.302178
where:
bonds (distance) C4'-P energy: -85.716
bonds (distance) P-C4' energy: -98.994
flat angles C4'-P-C4' energy: -95.553
flat angles P-C4'-P energy: -58.999
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: 8
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -2166.705632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.705632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.705632 (E_RNA)
where:
Base-Base interactions energy: -1494.288
where: short stacking energy: -629.779
Base-Backbone interact. energy: -3.905
local terms energy: -668.512882
where:
bonds (distance) C4'-P energy: -117.978
bonds (distance) P-C4' energy: -126.639
flat angles C4'-P-C4' energy: -132.494
flat angles P-C4'-P energy: -99.091
tors. eta vs tors. theta energy: -192.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -2071.735581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.735581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.735581 (E_RNA)
where:
Base-Base interactions energy: -1458.862
where: short stacking energy: -579.321
Base-Backbone interact. energy: -1.987
local terms energy: -610.886942
where:
bonds (distance) C4'-P energy: -107.784
bonds (distance) P-C4' energy: -122.749
flat angles C4'-P-C4' energy: -123.925
flat angles P-C4'-P energy: -82.761
tors. eta vs tors. theta energy: -173.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -1980.058551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.058551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.058551 (E_RNA)
where:
Base-Base interactions energy: -1389.587
where: short stacking energy: -582.395
Base-Backbone interact. energy: 0.642
local terms energy: -591.114046
where:
bonds (distance) C4'-P energy: -99.743
bonds (distance) P-C4' energy: -104.481
flat angles C4'-P-C4' energy: -122.357
flat angles P-C4'-P energy: -85.192
tors. eta vs tors. theta energy: -179.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -1883.063885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.063885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.063885 (E_RNA)
where:
Base-Base interactions energy: -1305.585
where: short stacking energy: -516.082
Base-Backbone interact. energy: -2.547
local terms energy: -574.931285
where:
bonds (distance) C4'-P energy: -114.533
bonds (distance) P-C4' energy: -113.630
flat angles C4'-P-C4' energy: -118.169
flat angles P-C4'-P energy: -78.203
tors. eta vs tors. theta energy: -150.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -1699.554651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.554651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.554651 (E_RNA)
where:
Base-Base interactions energy: -1164.700
where: short stacking energy: -490.441
Base-Backbone interact. energy: 2.958
local terms energy: -537.812693
where:
bonds (distance) C4'-P energy: -100.504
bonds (distance) P-C4' energy: -109.155
flat angles C4'-P-C4' energy: -123.041
flat angles P-C4'-P energy: -76.602
tors. eta vs tors. theta energy: -128.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -1588.416324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.416324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.416324 (E_RNA)
where:
Base-Base interactions energy: -1071.801
where: short stacking energy: -461.534
Base-Backbone interact. energy: -2.289
local terms energy: -514.326097
where:
bonds (distance) C4'-P energy: -107.548
bonds (distance) P-C4' energy: -95.446
flat angles C4'-P-C4' energy: -108.147
flat angles P-C4'-P energy: -75.123
tors. eta vs tors. theta energy: -128.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -1385.766596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.766596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.766596 (E_RNA)
where:
Base-Base interactions energy: -909.483
where: short stacking energy: -415.049
Base-Backbone interact. energy: -2.612
local terms energy: -473.672058
where:
bonds (distance) C4'-P energy: -103.828
bonds (distance) P-C4' energy: -90.257
flat angles C4'-P-C4' energy: -109.687
flat angles P-C4'-P energy: -63.058
tors. eta vs tors. theta energy: -106.841
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: 1
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -1057.048243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.048243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.048243 (E_RNA)
where:
Base-Base interactions energy: -628.954
where: short stacking energy: -314.887
Base-Backbone interact. energy: -0.392
local terms energy: -427.702047
where:
bonds (distance) C4'-P energy: -88.520
bonds (distance) P-C4' energy: -108.050
flat angles C4'-P-C4' energy: -103.561
flat angles P-C4'-P energy: -60.946
tors. eta vs tors. theta energy: -66.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -829.563015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.563015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.563015 (E_RNA)
where:
Base-Base interactions energy: -461.424
where: short stacking energy: -215.186
Base-Backbone interact. energy: 2.651
local terms energy: -370.790157
where:
bonds (distance) C4'-P energy: -95.175
bonds (distance) P-C4' energy: -109.690
flat angles C4'-P-C4' energy: -97.458
flat angles P-C4'-P energy: -56.629
tors. eta vs tors. theta energy: -11.838
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: 6
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -621.550070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.550070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.550070 (E_RNA)
where:
Base-Base interactions energy: -306.780
where: short stacking energy: -177.762
Base-Backbone interact. energy: 5.297
local terms energy: -320.067315
where:
bonds (distance) C4'-P energy: -82.779
bonds (distance) P-C4' energy: -109.501
flat angles C4'-P-C4' energy: -77.704
flat angles P-C4'-P energy: -27.718
tors. eta vs tors. theta energy: -22.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -2174.772103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.772103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.772103 (E_RNA)
where:
Base-Base interactions energy: -1509.088
where: short stacking energy: -636.876
Base-Backbone interact. energy: -1.628
local terms energy: -664.055862
where:
bonds (distance) C4'-P energy: -120.280
bonds (distance) P-C4' energy: -116.003
flat angles C4'-P-C4' energy: -148.756
flat angles P-C4'-P energy: -88.047
tors. eta vs tors. theta energy: -190.970
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: 4
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -2055.569834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.569834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.569834 (E_RNA)
where:
Base-Base interactions energy: -1444.327
where: short stacking energy: -573.477
Base-Backbone interact. energy: -1.002
local terms energy: -610.240709
where:
bonds (distance) C4'-P energy: -111.357
bonds (distance) P-C4' energy: -105.151
flat angles C4'-P-C4' energy: -131.139
flat angles P-C4'-P energy: -88.214
tors. eta vs tors. theta energy: -174.380
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: 478
Temperature: 1.000000
Total energy: -1968.439655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.439655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.439655 (E_RNA)
where:
Base-Base interactions energy: -1383.412
where: short stacking energy: -579.089
Base-Backbone interact. energy: 1.020
local terms energy: -586.047631
where:
bonds (distance) C4'-P energy: -108.765
bonds (distance) P-C4' energy: -116.708
flat angles C4'-P-C4' energy: -118.752
flat angles P-C4'-P energy: -75.137
tors. eta vs tors. theta energy: -166.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -1856.698602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.698602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.698602 (E_RNA)
where:
Base-Base interactions energy: -1260.779
where: short stacking energy: -515.520
Base-Backbone interact. energy: -4.612
local terms energy: -591.307724
where:
bonds (distance) C4'-P energy: -113.780
bonds (distance) P-C4' energy: -111.630
flat angles C4'-P-C4' energy: -127.810
flat angles P-C4'-P energy: -90.780
tors. eta vs tors. theta energy: -147.308
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: 5, replica: 10
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -1814.120428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.120428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.120428 (E_RNA)
where:
Base-Base interactions energy: -1254.923
where: short stacking energy: -522.415
Base-Backbone interact. energy: 0.643
local terms energy: -559.840407
where:
bonds (distance) C4'-P energy: -97.554
bonds (distance) P-C4' energy: -99.784
flat angles C4'-P-C4' energy: -130.305
flat angles P-C4'-P energy: -75.850
tors. eta vs tors. theta energy: -156.347
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: 3
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -1543.543678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.543678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.543678 (E_RNA)
where:
Base-Base interactions energy: -1021.460
where: short stacking energy: -470.956
Base-Backbone interact. energy: 0.933
local terms energy: -523.017272
where:
bonds (distance) C4'-P energy: -100.438
bonds (distance) P-C4' energy: -98.235
flat angles C4'-P-C4' energy: -121.738
flat angles P-C4'-P energy: -75.399
tors. eta vs tors. theta energy: -127.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -1398.862473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.862473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.862473 (E_RNA)
where:
Base-Base interactions energy: -919.811
where: short stacking energy: -403.420
Base-Backbone interact. energy: -2.037
local terms energy: -477.014603
where:
bonds (distance) C4'-P energy: -104.160
bonds (distance) P-C4' energy: -93.098
flat angles C4'-P-C4' energy: -110.435
flat angles P-C4'-P energy: -70.525
tors. eta vs tors. theta energy: -98.797
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: 1
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -991.454012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.454012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.454012 (E_RNA)
where:
Base-Base interactions energy: -612.795
where: short stacking energy: -288.419
Base-Backbone interact. energy: -0.385
local terms energy: -378.273969
where:
bonds (distance) C4'-P energy: -65.156
bonds (distance) P-C4' energy: -92.100
flat angles C4'-P-C4' energy: -104.018
flat angles P-C4'-P energy: -67.911
tors. eta vs tors. theta energy: -49.090
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: 9, replica: 5
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -818.122780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.122780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.122780 (E_RNA)
where:
Base-Base interactions energy: -455.535
where: short stacking energy: -223.189
Base-Backbone interact. energy: -2.512
local terms energy: -360.076123
where:
bonds (distance) C4'-P energy: -115.692
bonds (distance) P-C4' energy: -91.901
flat angles C4'-P-C4' energy: -72.379
flat angles P-C4'-P energy: -60.087
tors. eta vs tors. theta energy: -20.017
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: 6
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -628.744917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.744917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.744917 (E_RNA)
where:
Base-Base interactions energy: -310.617
where: short stacking energy: -166.057
Base-Backbone interact. energy: 0.477
local terms energy: -318.604779
where:
bonds (distance) C4'-P energy: -87.713
bonds (distance) P-C4' energy: -96.094
flat angles C4'-P-C4' energy: -79.810
flat angles P-C4'-P energy: -42.217
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: 8
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -2145.533194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.533194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.533194 (E_RNA)
where:
Base-Base interactions energy: -1496.315
where: short stacking energy: -637.829
Base-Backbone interact. energy: -0.193
local terms energy: -649.024601
where:
bonds (distance) C4'-P energy: -100.234
bonds (distance) P-C4' energy: -125.105
flat angles C4'-P-C4' energy: -129.201
flat angles P-C4'-P energy: -94.099
tors. eta vs tors. theta energy: -200.385
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: 2, replica: 4
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -2064.084676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.084676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.084676 (E_RNA)
where:
Base-Base interactions energy: -1428.506
where: short stacking energy: -591.996
Base-Backbone interact. energy: -0.946
local terms energy: -634.633152
where:
bonds (distance) C4'-P energy: -107.461
bonds (distance) P-C4' energy: -124.068
flat angles C4'-P-C4' energy: -133.992
flat angles P-C4'-P energy: -91.140
tors. eta vs tors. theta energy: -177.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -1946.967378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.967378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.967378 (E_RNA)
where:
Base-Base interactions energy: -1329.508
where: short stacking energy: -550.244
Base-Backbone interact. energy: -2.891
local terms energy: -614.568534
where:
bonds (distance) C4'-P energy: -103.737
bonds (distance) P-C4' energy: -119.291
flat angles C4'-P-C4' energy: -126.773
flat angles P-C4'-P energy: -90.359
tors. eta vs tors. theta energy: -174.410
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: 4, replica: 10
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -1847.164224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.164224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.164224 (E_RNA)
where:
Base-Base interactions energy: -1259.838
where: short stacking energy: -541.649
Base-Backbone interact. energy: -1.560
local terms energy: -585.766701
where:
bonds (distance) C4'-P energy: -99.195
bonds (distance) P-C4' energy: -113.349
flat angles C4'-P-C4' energy: -119.605
flat angles P-C4'-P energy: -90.097
tors. eta vs tors. theta energy: -163.521
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: 9
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -1840.442775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.442775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.442775 (E_RNA)
where:
Base-Base interactions energy: -1259.143
where: short stacking energy: -518.503
Base-Backbone interact. energy: -2.688
local terms energy: -578.611799
where:
bonds (distance) C4'-P energy: -104.004
bonds (distance) P-C4' energy: -110.724
flat angles C4'-P-C4' energy: -123.810
flat angles P-C4'-P energy: -75.586
tors. eta vs tors. theta energy: -164.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -1603.075687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.075687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.075687 (E_RNA)
where:
Base-Base interactions energy: -1099.590
where: short stacking energy: -479.130
Base-Backbone interact. energy: -0.239
local terms energy: -503.246254
where:
bonds (distance) C4'-P energy: -89.624
bonds (distance) P-C4' energy: -106.629
flat angles C4'-P-C4' energy: -109.898
flat angles P-C4'-P energy: -70.545
tors. eta vs tors. theta energy: -126.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -1372.021329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.021329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.021329 (E_RNA)
where:
Base-Base interactions energy: -897.658
where: short stacking energy: -392.997
Base-Backbone interact. energy: -3.149
local terms energy: -471.214046
where:
bonds (distance) C4'-P energy: -77.333
bonds (distance) P-C4' energy: -102.705
flat angles C4'-P-C4' energy: -104.083
flat angles P-C4'-P energy: -76.129
tors. eta vs tors. theta energy: -110.963
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: 1
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -955.291286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.291286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.291286 (E_RNA)
where:
Base-Base interactions energy: -550.417
where: short stacking energy: -258.164
Base-Backbone interact. energy: -1.146
local terms energy: -403.728275
where:
bonds (distance) C4'-P energy: -118.658
bonds (distance) P-C4' energy: -101.501
flat angles C4'-P-C4' energy: -92.106
flat angles P-C4'-P energy: -49.832
tors. eta vs tors. theta energy: -41.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -835.758547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.758547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.758547 (E_RNA)
where:
Base-Base interactions energy: -442.833
where: short stacking energy: -216.248
Base-Backbone interact. energy: 0.284
local terms energy: -393.209168
where:
bonds (distance) C4'-P energy: -100.364
bonds (distance) P-C4' energy: -124.657
flat angles C4'-P-C4' energy: -92.905
flat angles P-C4'-P energy: -44.956
tors. eta vs tors. theta energy: -30.327
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: 10, replica: 6
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -586.330581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.330581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.330581 (E_RNA)
where:
Base-Base interactions energy: -263.489
where: short stacking energy: -153.770
Base-Backbone interact. energy: 0.356
local terms energy: -323.197526
where:
bonds (distance) C4'-P energy: -96.986
bonds (distance) P-C4' energy: -96.057
flat angles C4'-P-C4' energy: -84.016
flat angles P-C4'-P energy: -49.764
tors. eta vs tors. theta energy: 3.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -2150.086388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.086388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.086388 (E_RNA)
where:
Base-Base interactions energy: -1503.696
where: short stacking energy: -639.112
Base-Backbone interact. energy: -0.556
local terms energy: -645.834238
where:
bonds (distance) C4'-P energy: -100.518
bonds (distance) P-C4' energy: -124.472
flat angles C4'-P-C4' energy: -131.804
flat angles P-C4'-P energy: -96.758
tors. eta vs tors. theta energy: -192.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -2064.248579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.248579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.248579 (E_RNA)
where:
Base-Base interactions energy: -1431.704
where: short stacking energy: -584.891
Base-Backbone interact. energy: -2.251
local terms energy: -630.293550
where:
bonds (distance) C4'-P energy: -113.793
bonds (distance) P-C4' energy: -118.979
flat angles C4'-P-C4' energy: -141.423
flat angles P-C4'-P energy: -86.765
tors. eta vs tors. theta energy: -169.333
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: 480
Temperature: 1.000000
Total energy: -1957.581795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.581795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.581795 (E_RNA)
where:
Base-Base interactions energy: -1374.135
where: short stacking energy: -588.612
Base-Backbone interact. energy: -2.762
local terms energy: -580.683992
where:
bonds (distance) C4'-P energy: -100.974
bonds (distance) P-C4' energy: -97.194
flat angles C4'-P-C4' energy: -127.859
flat angles P-C4'-P energy: -78.045
tors. eta vs tors. theta energy: -176.612
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: 10
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -1840.935931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.935931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.935931 (E_RNA)
where:
Base-Base interactions energy: -1262.775
where: short stacking energy: -525.480
Base-Backbone interact. energy: -1.417
local terms energy: -576.743626
where:
bonds (distance) C4'-P energy: -108.020
bonds (distance) P-C4' energy: -112.724
flat angles C4'-P-C4' energy: -119.122
flat angles P-C4'-P energy: -74.117
tors. eta vs tors. theta energy: -162.761
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: 9
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -1816.144079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.144079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.144079 (E_RNA)
where:
Base-Base interactions energy: -1253.463
where: short stacking energy: -510.302
Base-Backbone interact. energy: -4.496
local terms energy: -558.185427
where:
bonds (distance) C4'-P energy: -107.786
bonds (distance) P-C4' energy: -111.652
flat angles C4'-P-C4' energy: -122.410
flat angles P-C4'-P energy: -81.965
tors. eta vs tors. theta energy: -134.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -1567.982910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.982910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.982910 (E_RNA)
where:
Base-Base interactions energy: -1025.638
where: short stacking energy: -424.177
Base-Backbone interact. energy: -0.811
local terms energy: -541.533853
where:
bonds (distance) C4'-P energy: -92.154
bonds (distance) P-C4' energy: -116.982
flat angles C4'-P-C4' energy: -118.099
flat angles P-C4'-P energy: -78.861
tors. eta vs tors. theta energy: -135.438
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: 2
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -1309.523029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.523029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.523029 (E_RNA)
where:
Base-Base interactions energy: -828.092
where: short stacking energy: -368.446
Base-Backbone interact. energy: -1.031
local terms energy: -480.400545
where:
bonds (distance) C4'-P energy: -86.355
bonds (distance) P-C4' energy: -116.293
flat angles C4'-P-C4' energy: -100.770
flat angles P-C4'-P energy: -82.425
tors. eta vs tors. theta energy: -94.557
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: 1
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -989.423323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.423323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.423323 (E_RNA)
where:
Base-Base interactions energy: -591.841
where: short stacking energy: -254.428
Base-Backbone interact. energy: 1.940
local terms energy: -399.521912
where:
bonds (distance) C4'-P energy: -88.436
bonds (distance) P-C4' energy: -118.986
flat angles C4'-P-C4' energy: -109.291
flat angles P-C4'-P energy: -55.717
tors. eta vs tors. theta energy: -27.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -730.402200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.402200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.402200 (E_RNA)
where:
Base-Base interactions energy: -411.651
where: short stacking energy: -187.359
Base-Backbone interact. energy: 2.084
local terms energy: -320.834838
where:
bonds (distance) C4'-P energy: -98.763
bonds (distance) P-C4' energy: -101.023
flat angles C4'-P-C4' energy: -81.451
flat angles P-C4'-P energy: -38.280
tors. eta vs tors. theta energy: -1.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -581.133066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.133066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.133066 (E_RNA)
where:
Base-Base interactions energy: -258.855
where: short stacking energy: -163.944
Base-Backbone interact. energy: -1.964
local terms energy: -320.313813
where:
bonds (distance) C4'-P energy: -103.006
bonds (distance) P-C4' energy: -94.398
flat angles C4'-P-C4' energy: -90.912
flat angles P-C4'-P energy: -44.122
tors. eta vs tors. theta energy: 12.125
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: 8
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -2164.562390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.562390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.562390 (E_RNA)
where:
Base-Base interactions energy: -1509.982
where: short stacking energy: -630.376
Base-Backbone interact. energy: -2.807
local terms energy: -651.773175
where:
bonds (distance) C4'-P energy: -119.060
bonds (distance) P-C4' energy: -120.505
flat angles C4'-P-C4' energy: -125.984
flat angles P-C4'-P energy: -90.580
tors. eta vs tors. theta energy: -195.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -2050.148113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.148113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.148113 (E_RNA)
where:
Base-Base interactions energy: -1423.323
where: short stacking energy: -594.290
Base-Backbone interact. energy: 3.824
local terms energy: -630.649590
where:
bonds (distance) C4'-P energy: -115.263
bonds (distance) P-C4' energy: -115.971
flat angles C4'-P-C4' energy: -132.210
flat angles P-C4'-P energy: -89.995
tors. eta vs tors. theta energy: -177.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -1953.917939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.917939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.917939 (E_RNA)
where:
Base-Base interactions energy: -1329.952
where: short stacking energy: -567.007
Base-Backbone interact. energy: -2.264
local terms energy: -621.702473
where:
bonds (distance) C4'-P energy: -122.483
bonds (distance) P-C4' energy: -92.347
flat angles C4'-P-C4' energy: -134.847
flat angles P-C4'-P energy: -94.627
tors. eta vs tors. theta energy: -177.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -1880.028714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.028714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.028714 (E_RNA)
where:
Base-Base interactions energy: -1326.711
where: short stacking energy: -566.143
Base-Backbone interact. energy: -3.292
local terms energy: -550.026112
where:
bonds (distance) C4'-P energy: -83.774
bonds (distance) P-C4' energy: -100.945
flat angles C4'-P-C4' energy: -120.743
flat angles P-C4'-P energy: -84.100
tors. eta vs tors. theta energy: -160.464
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: 5, replica: 10
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -1777.441089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.441089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.441089 (E_RNA)
where:
Base-Base interactions energy: -1215.244
where: short stacking energy: -508.435
Base-Backbone interact. energy: -3.169
local terms energy: -559.028522
where:
bonds (distance) C4'-P energy: -102.339
bonds (distance) P-C4' energy: -106.712
flat angles C4'-P-C4' energy: -131.179
flat angles P-C4'-P energy: -68.618
tors. eta vs tors. theta energy: -150.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -1526.328398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.328398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.328398 (E_RNA)
where:
Base-Base interactions energy: -1021.012
where: short stacking energy: -444.198
Base-Backbone interact. energy: -0.529
local terms energy: -504.787381
where:
bonds (distance) C4'-P energy: -97.496
bonds (distance) P-C4' energy: -104.391
flat angles C4'-P-C4' energy: -116.204
flat angles P-C4'-P energy: -76.863
tors. eta vs tors. theta energy: -109.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -1379.487136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.487136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.487136 (E_RNA)
where:
Base-Base interactions energy: -895.822
where: short stacking energy: -406.913
Base-Backbone interact. energy: 0.428
local terms energy: -484.093570
where:
bonds (distance) C4'-P energy: -105.419
bonds (distance) P-C4' energy: -99.068
flat angles C4'-P-C4' energy: -106.200
flat angles P-C4'-P energy: -70.354
tors. eta vs tors. theta energy: -103.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -944.744252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.744252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.744252 (E_RNA)
where:
Base-Base interactions energy: -571.051
where: short stacking energy: -274.117
Base-Backbone interact. energy: -4.223
local terms energy: -369.469763
where:
bonds (distance) C4'-P energy: -89.084
bonds (distance) P-C4' energy: -83.731
flat angles C4'-P-C4' energy: -96.793
flat angles P-C4'-P energy: -56.636
tors. eta vs tors. theta energy: -43.226
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: 5
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -739.262474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.262474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.262474 (E_RNA)
where:
Base-Base interactions energy: -385.148
where: short stacking energy: -200.943
Base-Backbone interact. energy: -1.423
local terms energy: -352.691985
where:
bonds (distance) C4'-P energy: -110.177
bonds (distance) P-C4' energy: -104.317
flat angles C4'-P-C4' energy: -76.805
flat angles P-C4'-P energy: -57.539
tors. eta vs tors. theta energy: -3.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -600.615006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.615006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.615006 (E_RNA)
where:
Base-Base interactions energy: -260.691
where: short stacking energy: -159.498
Base-Backbone interact. energy: -2.447
local terms energy: -337.476582
where:
bonds (distance) C4'-P energy: -90.162
bonds (distance) P-C4' energy: -116.575
flat angles C4'-P-C4' energy: -86.219
flat angles P-C4'-P energy: -54.550
tors. eta vs tors. theta energy: 10.030
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: 8
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -2149.085137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.085137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.085137 (E_RNA)
where:
Base-Base interactions energy: -1488.613
where: short stacking energy: -616.976
Base-Backbone interact. energy: -3.766
local terms energy: -656.706136
where:
bonds (distance) C4'-P energy: -110.081
bonds (distance) P-C4' energy: -119.718
flat angles C4'-P-C4' energy: -134.214
flat angles P-C4'-P energy: -95.756
tors. eta vs tors. theta energy: -196.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -2056.968338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.968338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.968338 (E_RNA)
where:
Base-Base interactions energy: -1424.358
where: short stacking energy: -590.326
Base-Backbone interact. energy: 1.695
local terms energy: -634.305894
where:
bonds (distance) C4'-P energy: -120.908
bonds (distance) P-C4' energy: -102.269
flat angles C4'-P-C4' energy: -135.135
flat angles P-C4'-P energy: -97.724
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: 3, replica: 7
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -1948.786233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.786233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.786233 (E_RNA)
where:
Base-Base interactions energy: -1373.826
where: short stacking energy: -549.876
Base-Backbone interact. energy: -2.510
local terms energy: -572.450157
where:
bonds (distance) C4'-P energy: -104.764
bonds (distance) P-C4' energy: -97.366
flat angles C4'-P-C4' energy: -119.708
flat angles P-C4'-P energy: -82.517
tors. eta vs tors. theta energy: -168.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -1868.194780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.194780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.194780 (E_RNA)
where:
Base-Base interactions energy: -1287.831
where: short stacking energy: -506.643
Base-Backbone interact. energy: -3.470
local terms energy: -576.894051
where:
bonds (distance) C4'-P energy: -109.095
bonds (distance) P-C4' energy: -114.062
flat angles C4'-P-C4' energy: -115.715
flat angles P-C4'-P energy: -85.599
tors. eta vs tors. theta energy: -152.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -1780.381110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.381110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.381110 (E_RNA)
where:
Base-Base interactions energy: -1214.644
where: short stacking energy: -506.012
Base-Backbone interact. energy: -0.849
local terms energy: -564.887351
where:
bonds (distance) C4'-P energy: -110.913
bonds (distance) P-C4' energy: -98.660
flat angles C4'-P-C4' energy: -134.886
flat angles P-C4'-P energy: -73.206
tors. eta vs tors. theta energy: -147.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -1533.622630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.622630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.622630 (E_RNA)
where:
Base-Base interactions energy: -1032.010
where: short stacking energy: -437.897
Base-Backbone interact. energy: -2.562
local terms energy: -499.050827
where:
bonds (distance) C4'-P energy: -79.809
bonds (distance) P-C4' energy: -103.272
flat angles C4'-P-C4' energy: -114.441
flat angles P-C4'-P energy: -82.374
tors. eta vs tors. theta energy: -119.156
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: 2
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -1307.461305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.461305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.461305 (E_RNA)
where:
Base-Base interactions energy: -837.651
where: short stacking energy: -369.371
Base-Backbone interact. energy: -2.053
local terms energy: -467.757581
where:
bonds (distance) C4'-P energy: -112.218
bonds (distance) P-C4' energy: -97.794
flat angles C4'-P-C4' energy: -96.220
flat angles P-C4'-P energy: -77.750
tors. eta vs tors. theta energy: -83.776
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: 1
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -998.696145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.696145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.696145 (E_RNA)
where:
Base-Base interactions energy: -600.224
where: short stacking energy: -262.987
Base-Backbone interact. energy: 1.988
local terms energy: -400.460204
where:
bonds (distance) C4'-P energy: -89.281
bonds (distance) P-C4' energy: -95.301
flat angles C4'-P-C4' energy: -97.745
flat angles P-C4'-P energy: -62.405
tors. eta vs tors. theta energy: -55.729
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: 5
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -705.432526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.432526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.432526 (E_RNA)
where:
Base-Base interactions energy: -335.201
where: short stacking energy: -182.563
Base-Backbone interact. energy: 2.230
local terms energy: -372.461215
where:
bonds (distance) C4'-P energy: -103.549
bonds (distance) P-C4' energy: -89.636
flat angles C4'-P-C4' energy: -96.820
flat angles P-C4'-P energy: -72.421
tors. eta vs tors. theta energy: -10.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -617.670985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.670985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.670985 (E_RNA)
where:
Base-Base interactions energy: -274.821
where: short stacking energy: -165.391
Base-Backbone interact. energy: 8.101
local terms energy: -350.950995
where:
bonds (distance) C4'-P energy: -102.384
bonds (distance) P-C4' energy: -88.165
flat angles C4'-P-C4' energy: -95.705
flat angles P-C4'-P energy: -50.569
tors. eta vs tors. theta energy: -14.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -2153.299189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.299189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.299189 (E_RNA)
where:
Base-Base interactions energy: -1496.462
where: short stacking energy: -631.576
Base-Backbone interact. energy: 0.318
local terms energy: -657.155492
where:
bonds (distance) C4'-P energy: -119.858
bonds (distance) P-C4' energy: -113.372
flat angles C4'-P-C4' energy: -142.939
flat angles P-C4'-P energy: -92.720
tors. eta vs tors. theta energy: -188.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -2067.484655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.484655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.484655 (E_RNA)
where:
Base-Base interactions energy: -1452.572
where: short stacking energy: -585.817
Base-Backbone interact. energy: 0.512
local terms energy: -615.425437
where:
bonds (distance) C4'-P energy: -95.935
bonds (distance) P-C4' energy: -114.634
flat angles C4'-P-C4' energy: -136.544
flat angles P-C4'-P energy: -91.501
tors. eta vs tors. theta energy: -176.812
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: 483
Temperature: 1.000000
Total energy: -1999.208917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.208917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.208917 (E_RNA)
where:
Base-Base interactions energy: -1390.523
where: short stacking energy: -583.835
Base-Backbone interact. energy: -2.561
local terms energy: -606.125070
where:
bonds (distance) C4'-P energy: -108.523
bonds (distance) P-C4' energy: -104.520
flat angles C4'-P-C4' energy: -134.490
flat angles P-C4'-P energy: -84.561
tors. eta vs tors. theta energy: -174.030
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: 10
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -1828.490620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.490620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.490620 (E_RNA)
where:
Base-Base interactions energy: -1235.181
where: short stacking energy: -521.549
Base-Backbone interact. energy: -1.167
local terms energy: -592.142154
where:
bonds (distance) C4'-P energy: -109.523
bonds (distance) P-C4' energy: -122.634
flat angles C4'-P-C4' energy: -122.306
flat angles P-C4'-P energy: -83.898
tors. eta vs tors. theta energy: -153.782
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: 5, replica: 9
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -1793.208051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.208051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.208051 (E_RNA)
where:
Base-Base interactions energy: -1248.431
where: short stacking energy: -512.508
Base-Backbone interact. energy: 1.326
local terms energy: -546.103124
where:
bonds (distance) C4'-P energy: -119.929
bonds (distance) P-C4' energy: -88.644
flat angles C4'-P-C4' energy: -108.663
flat angles P-C4'-P energy: -82.343
tors. eta vs tors. theta energy: -146.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -1590.112514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.112514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.112514 (E_RNA)
where:
Base-Base interactions energy: -1072.752
where: short stacking energy: -455.674
Base-Backbone interact. energy: -1.573
local terms energy: -515.787649
where:
bonds (distance) C4'-P energy: -99.097
bonds (distance) P-C4' energy: -110.710
flat angles C4'-P-C4' energy: -111.209
flat angles P-C4'-P energy: -60.379
tors. eta vs tors. theta energy: -134.392
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: 7, replica: 2
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -1317.000445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.000445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.000445 (E_RNA)
where:
Base-Base interactions energy: -880.168
where: short stacking energy: -367.231
Base-Backbone interact. energy: 0.768
local terms energy: -437.600246
where:
bonds (distance) C4'-P energy: -82.293
bonds (distance) P-C4' energy: -108.597
flat angles C4'-P-C4' energy: -101.723
flat angles P-C4'-P energy: -57.984
tors. eta vs tors. theta energy: -87.003
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: 8, replica: 1
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -1041.462304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.462304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.462304 (E_RNA)
where:
Base-Base interactions energy: -594.385
where: short stacking energy: -277.593
Base-Backbone interact. energy: 0.195
local terms energy: -447.272388
where:
bonds (distance) C4'-P energy: -110.507
bonds (distance) P-C4' energy: -89.549
flat angles C4'-P-C4' energy: -108.591
flat angles P-C4'-P energy: -78.978
tors. eta vs tors. theta energy: -59.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -667.545321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.545321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.545321 (E_RNA)
where:
Base-Base interactions energy: -325.282
where: short stacking energy: -172.157
Base-Backbone interact. energy: -1.251
local terms energy: -341.012287
where:
bonds (distance) C4'-P energy: -100.918
bonds (distance) P-C4' energy: -107.309
flat angles C4'-P-C4' energy: -80.668
flat angles P-C4'-P energy: -35.725
tors. eta vs tors. theta energy: -16.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -575.260696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.260696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.260696 (E_RNA)
where:
Base-Base interactions energy: -249.964
where: short stacking energy: -164.845
Base-Backbone interact. energy: -1.572
local terms energy: -323.724933
where:
bonds (distance) C4'-P energy: -86.100
bonds (distance) P-C4' energy: -97.840
flat angles C4'-P-C4' energy: -85.111
flat angles P-C4'-P energy: -59.596
tors. eta vs tors. theta energy: 4.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -2167.019674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.019674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.019674 (E_RNA)
where:
Base-Base interactions energy: -1519.401
where: short stacking energy: -653.841
Base-Backbone interact. energy: -1.402
local terms energy: -646.216840
where:
bonds (distance) C4'-P energy: -109.463
bonds (distance) P-C4' energy: -112.763
flat angles C4'-P-C4' energy: -134.119
flat angles P-C4'-P energy: -94.552
tors. eta vs tors. theta energy: -195.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -2054.467283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.467283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.467283 (E_RNA)
where:
Base-Base interactions energy: -1426.948
where: short stacking energy: -593.708
Base-Backbone interact. energy: -1.142
local terms energy: -626.377559
where:
bonds (distance) C4'-P energy: -94.238
bonds (distance) P-C4' energy: -121.949
flat angles C4'-P-C4' energy: -142.541
flat angles P-C4'-P energy: -90.218
tors. eta vs tors. theta energy: -177.432
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: 7
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -2018.448094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.448094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.448094 (E_RNA)
where:
Base-Base interactions energy: -1396.772
where: short stacking energy: -597.666
Base-Backbone interact. energy: -0.920
local terms energy: -620.756609
where:
bonds (distance) C4'-P energy: -112.889
bonds (distance) P-C4' energy: -108.112
flat angles C4'-P-C4' energy: -137.585
flat angles P-C4'-P energy: -84.980
tors. eta vs tors. theta energy: -177.190
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: 10
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -1819.805388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.805388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.805388 (E_RNA)
where:
Base-Base interactions energy: -1250.389
where: short stacking energy: -513.714
Base-Backbone interact. energy: -2.107
local terms energy: -567.309503
where:
bonds (distance) C4'-P energy: -107.600
bonds (distance) P-C4' energy: -107.325
flat angles C4'-P-C4' energy: -119.208
flat angles P-C4'-P energy: -85.318
tors. eta vs tors. theta energy: -147.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -1793.089916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.089916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.089916 (E_RNA)
where:
Base-Base interactions energy: -1217.832
where: short stacking energy: -508.396
Base-Backbone interact. energy: -2.680
local terms energy: -572.577592
where:
bonds (distance) C4'-P energy: -104.331
bonds (distance) P-C4' energy: -117.255
flat angles C4'-P-C4' energy: -124.573
flat angles P-C4'-P energy: -78.677
tors. eta vs tors. theta energy: -147.742
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: 6, replica: 3
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -1520.683783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.683783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.683783 (E_RNA)
where:
Base-Base interactions energy: -1006.813
where: short stacking energy: -430.799
Base-Backbone interact. energy: -2.267
local terms energy: -511.603792
where:
bonds (distance) C4'-P energy: -90.595
bonds (distance) P-C4' energy: -110.620
flat angles C4'-P-C4' energy: -110.070
flat angles P-C4'-P energy: -78.669
tors. eta vs tors. theta energy: -121.651
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: 2
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -1374.341795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.341795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.341795 (E_RNA)
where:
Base-Base interactions energy: -886.703
where: short stacking energy: -402.033
Base-Backbone interact. energy: -2.842
local terms energy: -484.797263
where:
bonds (distance) C4'-P energy: -108.428
bonds (distance) P-C4' energy: -93.980
flat angles C4'-P-C4' energy: -109.761
flat angles P-C4'-P energy: -75.851
tors. eta vs tors. theta energy: -96.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -1072.437771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.437771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.437771 (E_RNA)
where:
Base-Base interactions energy: -640.383
where: short stacking energy: -302.358
Base-Backbone interact. energy: -1.216
local terms energy: -430.838442
where:
bonds (distance) C4'-P energy: -89.728
bonds (distance) P-C4' energy: -112.354
flat angles C4'-P-C4' energy: -105.186
flat angles P-C4'-P energy: -52.721
tors. eta vs tors. theta energy: -70.849
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: 484
Temperature: 1.300000
Total energy: -700.581595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.581595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.581595 (E_RNA)
where:
Base-Base interactions energy: -349.064
where: short stacking energy: -191.956
Base-Backbone interact. energy: -0.499
local terms energy: -351.019330
where:
bonds (distance) C4'-P energy: -104.460
bonds (distance) P-C4' energy: -102.466
flat angles C4'-P-C4' energy: -69.922
flat angles P-C4'-P energy: -58.617
tors. eta vs tors. theta energy: -15.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -581.329626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.329626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.329626 (E_RNA)
where:
Base-Base interactions energy: -272.726
where: short stacking energy: -147.555
Base-Backbone interact. energy: -1.937
local terms energy: -306.666804
where:
bonds (distance) C4'-P energy: -98.408
bonds (distance) P-C4' energy: -102.342
flat angles C4'-P-C4' energy: -62.012
flat angles P-C4'-P energy: -43.757
tors. eta vs tors. theta energy: -0.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -2165.664804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.664804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.664804 (E_RNA)
where:
Base-Base interactions energy: -1512.388
where: short stacking energy: -647.890
Base-Backbone interact. energy: -2.414
local terms energy: -650.862687
where:
bonds (distance) C4'-P energy: -113.901
bonds (distance) P-C4' energy: -117.244
flat angles C4'-P-C4' energy: -141.599
flat angles P-C4'-P energy: -85.107
tors. eta vs tors. theta energy: -193.011
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: 485
Temperature: 0.950000
Total energy: -2091.989002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.989002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.989002 (E_RNA)
where:
Base-Base interactions energy: -1464.264
where: short stacking energy: -597.352
Base-Backbone interact. energy: -1.681
local terms energy: -626.043428
where:
bonds (distance) C4'-P energy: -103.544
bonds (distance) P-C4' energy: -130.526
flat angles C4'-P-C4' energy: -134.682
flat angles P-C4'-P energy: -82.353
tors. eta vs tors. theta energy: -174.938
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: 485
Temperature: 1.000000
Total energy: -1996.607353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.607353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.607353 (E_RNA)
where:
Base-Base interactions energy: -1395.679
where: short stacking energy: -576.109
Base-Backbone interact. energy: -0.351
local terms energy: -600.577654
where:
bonds (distance) C4'-P energy: -102.383
bonds (distance) P-C4' energy: -105.111
flat angles C4'-P-C4' energy: -134.856
flat angles P-C4'-P energy: -85.187
tors. eta vs tors. theta energy: -173.041
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: 10
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -1824.297547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.297547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.297547 (E_RNA)
where:
Base-Base interactions energy: -1270.754
where: short stacking energy: -551.110
Base-Backbone interact. energy: -1.918
local terms energy: -551.625525
where:
bonds (distance) C4'-P energy: -97.621
bonds (distance) P-C4' energy: -104.010
flat angles C4'-P-C4' energy: -112.313
flat angles P-C4'-P energy: -80.450
tors. eta vs tors. theta energy: -157.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -1749.906378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.906378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.906378 (E_RNA)
where:
Base-Base interactions energy: -1213.819
where: short stacking energy: -482.232
Base-Backbone interact. energy: -2.551
local terms energy: -533.536788
where:
bonds (distance) C4'-P energy: -98.667
bonds (distance) P-C4' energy: -102.972
flat angles C4'-P-C4' energy: -116.370
flat angles P-C4'-P energy: -66.938
tors. eta vs tors. theta energy: -148.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -1481.914160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.914160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.914160 (E_RNA)
where:
Base-Base interactions energy: -993.440
where: short stacking energy: -422.055
Base-Backbone interact. energy: 2.887
local terms energy: -491.361180
where:
bonds (distance) C4'-P energy: -93.246
bonds (distance) P-C4' energy: -105.586
flat angles C4'-P-C4' energy: -113.936
flat angles P-C4'-P energy: -66.258
tors. eta vs tors. theta energy: -112.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -1370.864300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.864300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.864300 (E_RNA)
where:
Base-Base interactions energy: -867.069
where: short stacking energy: -402.561
Base-Backbone interact. energy: 0.790
local terms energy: -504.585235
where:
bonds (distance) C4'-P energy: -91.888
bonds (distance) P-C4' energy: -110.304
flat angles C4'-P-C4' energy: -108.747
flat angles P-C4'-P energy: -75.488
tors. eta vs tors. theta energy: -118.158
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: 1
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -1139.506254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.506254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.506254 (E_RNA)
where:
Base-Base interactions energy: -704.512
where: short stacking energy: -356.605
Base-Backbone interact. energy: 3.726
local terms energy: -438.719776
where:
bonds (distance) C4'-P energy: -86.799
bonds (distance) P-C4' energy: -96.746
flat angles C4'-P-C4' energy: -101.778
flat angles P-C4'-P energy: -67.227
tors. eta vs tors. theta energy: -86.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -697.149864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.149864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.149864 (E_RNA)
where:
Base-Base interactions energy: -334.488
where: short stacking energy: -199.838
Base-Backbone interact. energy: -3.049
local terms energy: -359.613417
where:
bonds (distance) C4'-P energy: -101.104
bonds (distance) P-C4' energy: -96.918
flat angles C4'-P-C4' energy: -90.909
flat angles P-C4'-P energy: -59.557
tors. eta vs tors. theta energy: -11.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -580.026677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.026677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.026677 (E_RNA)
where:
Base-Base interactions energy: -253.321
where: short stacking energy: -155.428
Base-Backbone interact. energy: -2.853
local terms energy: -323.852234
where:
bonds (distance) C4'-P energy: -95.282
bonds (distance) P-C4' energy: -95.931
flat angles C4'-P-C4' energy: -91.975
flat angles P-C4'-P energy: -50.305
tors. eta vs tors. theta energy: 9.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -2150.669870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.669870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.669870 (E_RNA)
where:
Base-Base interactions energy: -1495.204
where: short stacking energy: -636.758
Base-Backbone interact. energy: -1.669
local terms energy: -653.796764
where:
bonds (distance) C4'-P energy: -120.135
bonds (distance) P-C4' energy: -108.876
flat angles C4'-P-C4' energy: -147.833
flat angles P-C4'-P energy: -85.284
tors. eta vs tors. theta energy: -191.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -2097.927962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.927962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.927962 (E_RNA)
where:
Base-Base interactions energy: -1462.650
where: short stacking energy: -601.514
Base-Backbone interact. energy: -2.494
local terms energy: -632.783199
where:
bonds (distance) C4'-P energy: -112.600
bonds (distance) P-C4' energy: -124.407
flat angles C4'-P-C4' energy: -126.959
flat angles P-C4'-P energy: -88.754
tors. eta vs tors. theta energy: -180.064
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: 7
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -1993.697692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.697692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.697692 (E_RNA)
where:
Base-Base interactions energy: -1373.641
where: short stacking energy: -572.400
Base-Backbone interact. energy: -3.613
local terms energy: -616.443926
where:
bonds (distance) C4'-P energy: -116.573
bonds (distance) P-C4' energy: -113.229
flat angles C4'-P-C4' energy: -135.167
flat angles P-C4'-P energy: -85.382
tors. eta vs tors. theta energy: -166.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -1841.559796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.559796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.559796 (E_RNA)
where:
Base-Base interactions energy: -1282.340
where: short stacking energy: -535.623
Base-Backbone interact. energy: -2.447
local terms energy: -556.772178
where:
bonds (distance) C4'-P energy: -91.515
bonds (distance) P-C4' energy: -104.311
flat angles C4'-P-C4' energy: -128.436
flat angles P-C4'-P energy: -80.980
tors. eta vs tors. theta energy: -151.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -1794.555674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.555674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.555674 (E_RNA)
where:
Base-Base interactions energy: -1221.127
where: short stacking energy: -508.453
Base-Backbone interact. energy: -3.205
local terms energy: -570.223475
where:
bonds (distance) C4'-P energy: -114.506
bonds (distance) P-C4' energy: -96.799
flat angles C4'-P-C4' energy: -116.710
flat angles P-C4'-P energy: -89.929
tors. eta vs tors. theta energy: -152.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -1480.714726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.714726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.714726 (E_RNA)
where:
Base-Base interactions energy: -990.678
where: short stacking energy: -425.799
Base-Backbone interact. energy: -0.671
local terms energy: -489.365367
where:
bonds (distance) C4'-P energy: -90.145
bonds (distance) P-C4' energy: -113.858
flat angles C4'-P-C4' energy: -107.106
flat angles P-C4'-P energy: -61.352
tors. eta vs tors. theta energy: -116.904
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: 2
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -1375.830719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.830719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.830719 (E_RNA)
where:
Base-Base interactions energy: -923.126
where: short stacking energy: -426.896
Base-Backbone interact. energy: 0.984
local terms energy: -453.688283
where:
bonds (distance) C4'-P energy: -88.350
bonds (distance) P-C4' energy: -108.463
flat angles C4'-P-C4' energy: -96.632
flat angles P-C4'-P energy: -59.119
tors. eta vs tors. theta energy: -101.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -1132.615782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.615782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.615782 (E_RNA)
where:
Base-Base interactions energy: -717.223
where: short stacking energy: -343.066
Base-Backbone interact. energy: -3.204
local terms energy: -412.188773
where:
bonds (distance) C4'-P energy: -83.049
bonds (distance) P-C4' energy: -89.490
flat angles C4'-P-C4' energy: -115.988
flat angles P-C4'-P energy: -54.212
tors. eta vs tors. theta energy: -69.449
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: 486
Temperature: 1.300000
Total energy: -695.466777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.466777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.466777 (E_RNA)
where:
Base-Base interactions energy: -345.883
where: short stacking energy: -173.507
Base-Backbone interact. energy: 0.491
local terms energy: -350.075037
where:
bonds (distance) C4'-P energy: -96.954
bonds (distance) P-C4' energy: -101.924
flat angles C4'-P-C4' energy: -84.363
flat angles P-C4'-P energy: -57.993
tors. eta vs tors. theta energy: -8.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -610.120658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.120658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.120658 (E_RNA)
where:
Base-Base interactions energy: -305.370
where: short stacking energy: -162.131
Base-Backbone interact. energy: -1.028
local terms energy: -303.722165
where:
bonds (distance) C4'-P energy: -86.348
bonds (distance) P-C4' energy: -95.747
flat angles C4'-P-C4' energy: -90.198
flat angles P-C4'-P energy: -36.185
tors. eta vs tors. theta energy: 4.756
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: 8
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -2162.432946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.432946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.432946 (E_RNA)
where:
Base-Base interactions energy: -1485.650
where: short stacking energy: -642.809
Base-Backbone interact. energy: -2.601
local terms energy: -674.181762
where:
bonds (distance) C4'-P energy: -108.308
bonds (distance) P-C4' energy: -122.008
flat angles C4'-P-C4' energy: -138.574
flat angles P-C4'-P energy: -97.217
tors. eta vs tors. theta energy: -208.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -2114.532315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.532315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.532315 (E_RNA)
where:
Base-Base interactions energy: -1469.877
where: short stacking energy: -620.148
Base-Backbone interact. energy: -3.724
local terms energy: -640.931844
where:
bonds (distance) C4'-P energy: -105.750
bonds (distance) P-C4' energy: -122.845
flat angles C4'-P-C4' energy: -143.293
flat angles P-C4'-P energy: -87.980
tors. eta vs tors. theta energy: -181.064
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: 7
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -2010.731273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.731273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.731273 (E_RNA)
where:
Base-Base interactions energy: -1375.351
where: short stacking energy: -592.466
Base-Backbone interact. energy: -2.273
local terms energy: -633.107386
where:
bonds (distance) C4'-P energy: -107.453
bonds (distance) P-C4' energy: -103.589
flat angles C4'-P-C4' energy: -140.662
flat angles P-C4'-P energy: -91.947
tors. eta vs tors. theta energy: -189.456
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: 4, replica: 10
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -1848.512436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.512436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.512436 (E_RNA)
where:
Base-Base interactions energy: -1256.991
where: short stacking energy: -525.536
Base-Backbone interact. energy: -1.055
local terms energy: -590.465914
where:
bonds (distance) C4'-P energy: -113.775
bonds (distance) P-C4' energy: -114.475
flat angles C4'-P-C4' energy: -113.372
flat angles P-C4'-P energy: -94.368
tors. eta vs tors. theta energy: -154.475
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: 487
Temperature: 1.100000
Total energy: -1792.288057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.288057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.288057 (E_RNA)
where:
Base-Base interactions energy: -1240.447
where: short stacking energy: -523.456
Base-Backbone interact. energy: -2.500
local terms energy: -549.341173
where:
bonds (distance) C4'-P energy: -107.325
bonds (distance) P-C4' energy: -89.093
flat angles C4'-P-C4' energy: -122.236
flat angles P-C4'-P energy: -83.424
tors. eta vs tors. theta energy: -147.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -1495.566946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.566946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.566946 (E_RNA)
where:
Base-Base interactions energy: -984.976
where: short stacking energy: -430.181
Base-Backbone interact. energy: -0.558
local terms energy: -510.033238
where:
bonds (distance) C4'-P energy: -103.352
bonds (distance) P-C4' energy: -109.342
flat angles C4'-P-C4' energy: -113.436
flat angles P-C4'-P energy: -74.447
tors. eta vs tors. theta energy: -109.456
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: 2
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -1378.041118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.041118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.041118 (E_RNA)
where:
Base-Base interactions energy: -895.791
where: short stacking energy: -394.847
Base-Backbone interact. energy: 2.965
local terms energy: -485.215728
where:
bonds (distance) C4'-P energy: -106.348
bonds (distance) P-C4' energy: -93.244
flat angles C4'-P-C4' energy: -105.497
flat angles P-C4'-P energy: -81.050
tors. eta vs tors. theta energy: -99.077
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: 487
Temperature: 1.250000
Total energy: -1079.303284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.303284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.303284 (E_RNA)
where:
Base-Base interactions energy: -672.440
where: short stacking energy: -293.909
Base-Backbone interact. energy: -1.217
local terms energy: -405.646005
where:
bonds (distance) C4'-P energy: -92.929
bonds (distance) P-C4' energy: -112.573
flat angles C4'-P-C4' energy: -94.555
flat angles P-C4'-P energy: -53.701
tors. eta vs tors. theta energy: -51.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -726.678290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.678290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.678290 (E_RNA)
where:
Base-Base interactions energy: -380.240
where: short stacking energy: -193.665
Base-Backbone interact. energy: -1.005
local terms energy: -345.433632
where:
bonds (distance) C4'-P energy: -96.211
bonds (distance) P-C4' energy: -93.386
flat angles C4'-P-C4' energy: -97.105
flat angles P-C4'-P energy: -49.758
tors. eta vs tors. theta energy: -8.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -606.022554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.022554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.022554 (E_RNA)
where:
Base-Base interactions energy: -282.456
where: short stacking energy: -170.164
Base-Backbone interact. energy: 0.695
local terms energy: -324.262248
where:
bonds (distance) C4'-P energy: -100.688
bonds (distance) P-C4' energy: -101.546
flat angles C4'-P-C4' energy: -74.525
flat angles P-C4'-P energy: -40.464
tors. eta vs tors. theta energy: -7.040
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: 8
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -2188.234819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.234819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.234819 (E_RNA)
where:
Base-Base interactions energy: -1522.433
where: short stacking energy: -636.056
Base-Backbone interact. energy: -2.791
local terms energy: -663.010421
where:
bonds (distance) C4'-P energy: -116.896
bonds (distance) P-C4' energy: -111.035
flat angles C4'-P-C4' energy: -136.982
flat angles P-C4'-P energy: -99.153
tors. eta vs tors. theta energy: -198.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -2080.062690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.062690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.062690 (E_RNA)
where:
Base-Base interactions energy: -1451.689
where: short stacking energy: -574.546
Base-Backbone interact. energy: -4.242
local terms energy: -624.131382
where:
bonds (distance) C4'-P energy: -102.470
bonds (distance) P-C4' energy: -110.226
flat angles C4'-P-C4' energy: -134.396
flat angles P-C4'-P energy: -104.391
tors. eta vs tors. theta energy: -172.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -1944.320432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.320432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.320432 (E_RNA)
where:
Base-Base interactions energy: -1343.660
where: short stacking energy: -544.065
Base-Backbone interact. energy: -1.629
local terms energy: -599.031241
where:
bonds (distance) C4'-P energy: -103.093
bonds (distance) P-C4' energy: -116.102
flat angles C4'-P-C4' energy: -129.175
flat angles P-C4'-P energy: -83.083
tors. eta vs tors. theta energy: -167.579
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: 10
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -1828.116696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.116696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.116696 (E_RNA)
where:
Base-Base interactions energy: -1244.747
where: short stacking energy: -531.774
Base-Backbone interact. energy: -2.625
local terms energy: -580.744182
where:
bonds (distance) C4'-P energy: -98.033
bonds (distance) P-C4' energy: -116.142
flat angles C4'-P-C4' energy: -124.439
flat angles P-C4'-P energy: -79.999
tors. eta vs tors. theta energy: -162.132
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: 9
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -1797.749635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.749635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.749635 (E_RNA)
where:
Base-Base interactions energy: -1242.968
where: short stacking energy: -528.143
Base-Backbone interact. energy: -1.477
local terms energy: -553.304122
where:
bonds (distance) C4'-P energy: -108.442
bonds (distance) P-C4' energy: -88.446
flat angles C4'-P-C4' energy: -122.100
flat angles P-C4'-P energy: -82.417
tors. eta vs tors. theta energy: -151.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -1509.358987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.358987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.358987 (E_RNA)
where:
Base-Base interactions energy: -1017.090
where: short stacking energy: -437.247
Base-Backbone interact. energy: -2.927
local terms energy: -489.342336
where:
bonds (distance) C4'-P energy: -116.458
bonds (distance) P-C4' energy: -92.807
flat angles C4'-P-C4' energy: -103.517
flat angles P-C4'-P energy: -71.865
tors. eta vs tors. theta energy: -104.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -1392.074173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.074173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.074173 (E_RNA)
where:
Base-Base interactions energy: -906.223
where: short stacking energy: -408.270
Base-Backbone interact. energy: 0.119
local terms energy: -485.970405
where:
bonds (distance) C4'-P energy: -98.192
bonds (distance) P-C4' energy: -107.275
flat angles C4'-P-C4' energy: -104.329
flat angles P-C4'-P energy: -56.971
tors. eta vs tors. theta energy: -119.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -1054.613098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.613098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.613098 (E_RNA)
where:
Base-Base interactions energy: -655.238
where: short stacking energy: -318.261
Base-Backbone interact. energy: 1.421
local terms energy: -400.796140
where:
bonds (distance) C4'-P energy: -78.097
bonds (distance) P-C4' energy: -88.758
flat angles C4'-P-C4' energy: -105.953
flat angles P-C4'-P energy: -58.814
tors. eta vs tors. theta energy: -69.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -679.136903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.136903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.136903 (E_RNA)
where:
Base-Base interactions energy: -364.817
where: short stacking energy: -203.890
Base-Backbone interact. energy: -2.651
local terms energy: -311.668745
where:
bonds (distance) C4'-P energy: -95.353
bonds (distance) P-C4' energy: -86.016
flat angles C4'-P-C4' energy: -75.848
flat angles P-C4'-P energy: -51.241
tors. eta vs tors. theta energy: -3.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -610.370528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.370528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.370528 (E_RNA)
where:
Base-Base interactions energy: -268.143
where: short stacking energy: -147.267
Base-Backbone interact. energy: -0.395
local terms energy: -341.832178
where:
bonds (distance) C4'-P energy: -105.580
bonds (distance) P-C4' energy: -114.411
flat angles C4'-P-C4' energy: -83.567
flat angles P-C4'-P energy: -50.423
tors. eta vs tors. theta energy: 12.149
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: 1, replica: 8
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -2156.366454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.366454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.366454 (E_RNA)
where:
Base-Base interactions energy: -1483.118
where: short stacking energy: -627.212
Base-Backbone interact. energy: -2.375
local terms energy: -670.873354
where:
bonds (distance) C4'-P energy: -125.869
bonds (distance) P-C4' energy: -118.722
flat angles C4'-P-C4' energy: -137.593
flat angles P-C4'-P energy: -95.854
tors. eta vs tors. theta energy: -192.835
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: 4
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -2065.780005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.780005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.780005 (E_RNA)
where:
Base-Base interactions energy: -1447.893
where: short stacking energy: -579.750
Base-Backbone interact. energy: -2.083
local terms energy: -615.803872
where:
bonds (distance) C4'-P energy: -108.827
bonds (distance) P-C4' energy: -121.280
flat angles C4'-P-C4' energy: -126.386
flat angles P-C4'-P energy: -86.342
tors. eta vs tors. theta energy: -172.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -1977.057983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.057983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.057983 (E_RNA)
where:
Base-Base interactions energy: -1373.499
where: short stacking energy: -565.872
Base-Backbone interact. energy: -1.235
local terms energy: -602.323127
where:
bonds (distance) C4'-P energy: -105.247
bonds (distance) P-C4' energy: -120.638
flat angles C4'-P-C4' energy: -126.697
flat angles P-C4'-P energy: -83.528
tors. eta vs tors. theta energy: -166.214
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: 10
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -1818.770052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.770052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.770052 (E_RNA)
where:
Base-Base interactions energy: -1253.276
where: short stacking energy: -529.472
Base-Backbone interact. energy: -2.374
local terms energy: -563.120111
where:
bonds (distance) C4'-P energy: -107.204
bonds (distance) P-C4' energy: -115.643
flat angles C4'-P-C4' energy: -120.051
flat angles P-C4'-P energy: -82.313
tors. eta vs tors. theta energy: -137.909
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: 9
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -1787.683256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.683256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.683256 (E_RNA)
where:
Base-Base interactions energy: -1262.097
where: short stacking energy: -532.350
Base-Backbone interact. energy: -3.437
local terms energy: -522.149155
where:
bonds (distance) C4'-P energy: -95.876
bonds (distance) P-C4' energy: -97.808
flat angles C4'-P-C4' energy: -114.933
flat angles P-C4'-P energy: -72.219
tors. eta vs tors. theta energy: -141.313
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: 2
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -1455.975582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.975582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.975582 (E_RNA)
where:
Base-Base interactions energy: -951.078
where: short stacking energy: -427.516
Base-Backbone interact. energy: -1.627
local terms energy: -503.270275
where:
bonds (distance) C4'-P energy: -92.469
bonds (distance) P-C4' energy: -100.715
flat angles C4'-P-C4' energy: -111.000
flat angles P-C4'-P energy: -86.473
tors. eta vs tors. theta energy: -112.612
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: 7, replica: 3
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -1389.136673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.136673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.136673 (E_RNA)
where:
Base-Base interactions energy: -940.411
where: short stacking energy: -404.288
Base-Backbone interact. energy: -0.414
local terms energy: -448.311509
where:
bonds (distance) C4'-P energy: -89.957
bonds (distance) P-C4' energy: -87.982
flat angles C4'-P-C4' energy: -103.230
flat angles P-C4'-P energy: -65.500
tors. eta vs tors. theta energy: -101.643
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: 1
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -1069.267987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.267987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.267987 (E_RNA)
where:
Base-Base interactions energy: -637.508
where: short stacking energy: -294.090
Base-Backbone interact. energy: 6.974
local terms energy: -438.733730
where:
bonds (distance) C4'-P energy: -118.433
bonds (distance) P-C4' energy: -97.294
flat angles C4'-P-C4' energy: -108.871
flat angles P-C4'-P energy: -63.308
tors. eta vs tors. theta energy: -50.829
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: 5
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -685.451550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.451550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.451550 (E_RNA)
where:
Base-Base interactions energy: -374.797
where: short stacking energy: -179.936
Base-Backbone interact. energy: 8.198
local terms energy: -318.852397
where:
bonds (distance) C4'-P energy: -86.191
bonds (distance) P-C4' energy: -99.402
flat angles C4'-P-C4' energy: -80.791
flat angles P-C4'-P energy: -58.208
tors. eta vs tors. theta energy: 5.740
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: 10, replica: 6
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -629.622972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.622972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.622972 (E_RNA)
where:
Base-Base interactions energy: -276.090
where: short stacking energy: -161.686
Base-Backbone interact. energy: -1.216
local terms energy: -352.317020
where:
bonds (distance) C4'-P energy: -87.864
bonds (distance) P-C4' energy: -112.554
flat angles C4'-P-C4' energy: -96.904
flat angles P-C4'-P energy: -47.379
tors. eta vs tors. theta energy: -7.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -2183.013680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.013680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.013680 (E_RNA)
where:
Base-Base interactions energy: -1525.549
where: short stacking energy: -657.719
Base-Backbone interact. energy: -4.325
local terms energy: -653.139663
where:
bonds (distance) C4'-P energy: -105.937
bonds (distance) P-C4' energy: -114.561
flat angles C4'-P-C4' energy: -138.865
flat angles P-C4'-P energy: -92.903
tors. eta vs tors. theta energy: -200.873
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: 4
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -2066.658856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.658856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.658856 (E_RNA)
where:
Base-Base interactions energy: -1432.420
where: short stacking energy: -582.811
Base-Backbone interact. energy: 3.740
local terms energy: -637.979422
where:
bonds (distance) C4'-P energy: -119.304
bonds (distance) P-C4' energy: -120.345
flat angles C4'-P-C4' energy: -137.100
flat angles P-C4'-P energy: -95.852
tors. eta vs tors. theta energy: -165.380
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: 490
Temperature: 1.000000
Total energy: -1988.508248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.508248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.508248 (E_RNA)
where:
Base-Base interactions energy: -1374.951
where: short stacking energy: -557.067
Base-Backbone interact. energy: -3.417
local terms energy: -610.140310
where:
bonds (distance) C4'-P energy: -116.053
bonds (distance) P-C4' energy: -113.171
flat angles C4'-P-C4' energy: -138.806
flat angles P-C4'-P energy: -80.447
tors. eta vs tors. theta energy: -161.664
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: 10
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -1840.714988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.714988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.714988 (E_RNA)
where:
Base-Base interactions energy: -1254.753
where: short stacking energy: -534.866
Base-Backbone interact. energy: -1.695
local terms energy: -584.267737
where:
bonds (distance) C4'-P energy: -111.319
bonds (distance) P-C4' energy: -105.403
flat angles C4'-P-C4' energy: -135.139
flat angles P-C4'-P energy: -79.159
tors. eta vs tors. theta energy: -153.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -1774.069699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.069699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.069699 (E_RNA)
where:
Base-Base interactions energy: -1225.324
where: short stacking energy: -518.653
Base-Backbone interact. energy: -2.632
local terms energy: -546.113986
where:
bonds (distance) C4'-P energy: -92.536
bonds (distance) P-C4' energy: -98.726
flat angles C4'-P-C4' energy: -124.680
flat angles P-C4'-P energy: -89.865
tors. eta vs tors. theta energy: -140.307
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: 2
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -1347.799690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.799690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.799690 (E_RNA)
where:
Base-Base interactions energy: -899.657
where: short stacking energy: -400.862
Base-Backbone interact. energy: -0.281
local terms energy: -447.861640
where:
bonds (distance) C4'-P energy: -88.061
bonds (distance) P-C4' energy: -90.190
flat angles C4'-P-C4' energy: -114.630
flat angles P-C4'-P energy: -64.349
tors. eta vs tors. theta energy: -90.632
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: 3
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -1430.058807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.058807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.058807 (E_RNA)
where:
Base-Base interactions energy: -949.305
where: short stacking energy: -390.448
Base-Backbone interact. energy: 0.147
local terms energy: -480.900956
where:
bonds (distance) C4'-P energy: -100.313
bonds (distance) P-C4' energy: -99.343
flat angles C4'-P-C4' energy: -106.816
flat angles P-C4'-P energy: -65.302
tors. eta vs tors. theta energy: -109.127
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: 1
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -1073.857892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.857892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.857892 (E_RNA)
where:
Base-Base interactions energy: -665.458
where: short stacking energy: -308.620
Base-Backbone interact. energy: -1.404
local terms energy: -406.996505
where:
bonds (distance) C4'-P energy: -76.621
bonds (distance) P-C4' energy: -105.659
flat angles C4'-P-C4' energy: -88.498
flat angles P-C4'-P energy: -64.930
tors. eta vs tors. theta energy: -71.288
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: 9, replica: 5
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -707.404119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.404119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.404119 (E_RNA)
where:
Base-Base interactions energy: -350.918
where: short stacking energy: -159.885
Base-Backbone interact. energy: -0.366
local terms energy: -356.120474
where:
bonds (distance) C4'-P energy: -99.352
bonds (distance) P-C4' energy: -98.425
flat angles C4'-P-C4' energy: -77.750
flat angles P-C4'-P energy: -66.714
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: 10, replica: 6
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -652.517935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.517935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.517935 (E_RNA)
where:
Base-Base interactions energy: -309.608
where: short stacking energy: -188.037
Base-Backbone interact. energy: -0.784
local terms energy: -342.125814
where:
bonds (distance) C4'-P energy: -117.315
bonds (distance) P-C4' energy: -97.185
flat angles C4'-P-C4' energy: -75.792
flat angles P-C4'-P energy: -34.894
tors. eta vs tors. theta energy: -16.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -2163.657193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.657193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.657193 (E_RNA)
where:
Base-Base interactions energy: -1506.432
where: short stacking energy: -628.591
Base-Backbone interact. energy: -0.838
local terms energy: -656.387941
where:
bonds (distance) C4'-P energy: -112.602
bonds (distance) P-C4' energy: -118.439
flat angles C4'-P-C4' energy: -138.818
flat angles P-C4'-P energy: -91.806
tors. eta vs tors. theta energy: -194.723
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: 491
Temperature: 0.950000
Total energy: -2060.018852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.018852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.018852 (E_RNA)
where:
Base-Base interactions energy: -1449.316
where: short stacking energy: -555.690
Base-Backbone interact. energy: 3.534
local terms energy: -614.237559
where:
bonds (distance) C4'-P energy: -102.499
bonds (distance) P-C4' energy: -102.007
flat angles C4'-P-C4' energy: -137.672
flat angles P-C4'-P energy: -92.863
tors. eta vs tors. theta energy: -179.197
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: 491
Temperature: 1.000000
Total energy: -1989.644123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.644123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.644123 (E_RNA)
where:
Base-Base interactions energy: -1363.828
where: short stacking energy: -582.589
Base-Backbone interact. energy: -0.728
local terms energy: -625.087903
where:
bonds (distance) C4'-P energy: -113.918
bonds (distance) P-C4' energy: -128.219
flat angles C4'-P-C4' energy: -128.107
flat angles P-C4'-P energy: -90.025
tors. eta vs tors. theta energy: -164.819
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: 4, replica: 9
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -1847.538127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.538127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.538127 (E_RNA)
where:
Base-Base interactions energy: -1270.715
where: short stacking energy: -526.647
Base-Backbone interact. energy: 1.600
local terms energy: -578.423041
where:
bonds (distance) C4'-P energy: -110.456
bonds (distance) P-C4' energy: -118.847
flat angles C4'-P-C4' energy: -125.540
flat angles P-C4'-P energy: -71.292
tors. eta vs tors. theta energy: -152.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -1772.723561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.723561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.723561 (E_RNA)
where:
Base-Base interactions energy: -1187.779
where: short stacking energy: -513.986
Base-Backbone interact. energy: -3.371
local terms energy: -581.573011
where:
bonds (distance) C4'-P energy: -106.939
bonds (distance) P-C4' energy: -115.772
flat angles C4'-P-C4' energy: -114.834
flat angles P-C4'-P energy: -91.136
tors. eta vs tors. theta energy: -152.891
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: 3
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -1535.506318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.506318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.506318 (E_RNA)
where:
Base-Base interactions energy: -1006.840
where: short stacking energy: -420.417
Base-Backbone interact. energy: -1.141
local terms energy: -527.525418
where:
bonds (distance) C4'-P energy: -120.895
bonds (distance) P-C4' energy: -115.511
flat angles C4'-P-C4' energy: -112.853
flat angles P-C4'-P energy: -66.509
tors. eta vs tors. theta energy: -111.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -1245.030880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.030880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.030880 (E_RNA)
where:
Base-Base interactions energy: -803.730
where: short stacking energy: -346.301
Base-Backbone interact. energy: 0.578
local terms energy: -441.879585
where:
bonds (distance) C4'-P energy: -93.235
bonds (distance) P-C4' energy: -114.541
flat angles C4'-P-C4' energy: -98.594
flat angles P-C4'-P energy: -60.082
tors. eta vs tors. theta energy: -75.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -1120.407400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.407400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.407400 (E_RNA)
where:
Base-Base interactions energy: -708.039
where: short stacking energy: -324.899
Base-Backbone interact. energy: -2.905
local terms energy: -409.462812
where:
bonds (distance) C4'-P energy: -91.487
bonds (distance) P-C4' energy: -103.440
flat angles C4'-P-C4' energy: -91.802
flat angles P-C4'-P energy: -44.096
tors. eta vs tors. theta energy: -78.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -699.541061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.541061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.541061 (E_RNA)
where:
Base-Base interactions energy: -369.530
where: short stacking energy: -203.416
Base-Backbone interact. energy: -4.091
local terms energy: -325.919389
where:
bonds (distance) C4'-P energy: -77.521
bonds (distance) P-C4' energy: -89.589
flat angles C4'-P-C4' energy: -88.674
flat angles P-C4'-P energy: -51.939
tors. eta vs tors. theta energy: -18.197
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: 10, replica: 6
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -585.000703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.000703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.000703 (E_RNA)
where:
Base-Base interactions energy: -293.159
where: short stacking energy: -181.045
Base-Backbone interact. energy: -2.102
local terms energy: -289.739888
where:
bonds (distance) C4'-P energy: -70.105
bonds (distance) P-C4' energy: -88.817
flat angles C4'-P-C4' energy: -81.953
flat angles P-C4'-P energy: -55.565
tors. eta vs tors. theta energy: 6.700
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: 8
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -2152.602977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.602977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.602977 (E_RNA)
where:
Base-Base interactions energy: -1497.157
where: short stacking energy: -611.494
Base-Backbone interact. energy: -4.797
local terms energy: -650.648530
where:
bonds (distance) C4'-P energy: -119.270
bonds (distance) P-C4' energy: -120.447
flat angles C4'-P-C4' energy: -135.438
flat angles P-C4'-P energy: -94.388
tors. eta vs tors. theta energy: -181.105
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: 492
Temperature: 0.950000
Total energy: -2044.771095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.771095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.771095 (E_RNA)
where:
Base-Base interactions energy: -1436.987
where: short stacking energy: -556.336
Base-Backbone interact. energy: 7.137
local terms energy: -614.921484
where:
bonds (distance) C4'-P energy: -116.462
bonds (distance) P-C4' energy: -122.607
flat angles C4'-P-C4' energy: -134.417
flat angles P-C4'-P energy: -81.226
tors. eta vs tors. theta energy: -160.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -1973.259240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.259240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.259240 (E_RNA)
where:
Base-Base interactions energy: -1362.829
where: short stacking energy: -593.498
Base-Backbone interact. energy: -2.101
local terms energy: -608.329583
where:
bonds (distance) C4'-P energy: -107.658
bonds (distance) P-C4' energy: -111.834
flat angles C4'-P-C4' energy: -132.290
flat angles P-C4'-P energy: -82.845
tors. eta vs tors. theta energy: -173.703
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: 9
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -1857.605283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.605283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.605283 (E_RNA)
where:
Base-Base interactions energy: -1296.306
where: short stacking energy: -540.502
Base-Backbone interact. energy: -2.482
local terms energy: -558.816890
where:
bonds (distance) C4'-P energy: -106.574
bonds (distance) P-C4' energy: -109.165
flat angles C4'-P-C4' energy: -115.514
flat angles P-C4'-P energy: -65.922
tors. eta vs tors. theta energy: -161.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -1751.376388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.376388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.376388 (E_RNA)
where:
Base-Base interactions energy: -1199.206
where: short stacking energy: -523.182
Base-Backbone interact. energy: -2.349
local terms energy: -549.821020
where:
bonds (distance) C4'-P energy: -99.075
bonds (distance) P-C4' energy: -92.034
flat angles C4'-P-C4' energy: -127.221
flat angles P-C4'-P energy: -68.554
tors. eta vs tors. theta energy: -162.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -1577.438989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.438989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.438989 (E_RNA)
where:
Base-Base interactions energy: -1062.530
where: short stacking energy: -434.218
Base-Backbone interact. energy: 6.743
local terms energy: -521.651312
where:
bonds (distance) C4'-P energy: -96.756
bonds (distance) P-C4' energy: -109.036
flat angles C4'-P-C4' energy: -114.102
flat angles P-C4'-P energy: -70.021
tors. eta vs tors. theta energy: -131.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -1270.686857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.686857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.686857 (E_RNA)
where:
Base-Base interactions energy: -806.283
where: short stacking energy: -343.602
Base-Backbone interact. energy: -1.816
local terms energy: -462.588267
where:
bonds (distance) C4'-P energy: -99.741
bonds (distance) P-C4' energy: -117.547
flat angles C4'-P-C4' energy: -104.402
flat angles P-C4'-P energy: -66.960
tors. eta vs tors. theta energy: -73.938
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: 8, replica: 1
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -1132.253748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.253748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.253748 (E_RNA)
where:
Base-Base interactions energy: -700.031
where: short stacking energy: -331.440
Base-Backbone interact. energy: 0.514
local terms energy: -432.736394
where:
bonds (distance) C4'-P energy: -105.508
bonds (distance) P-C4' energy: -97.625
flat angles C4'-P-C4' energy: -103.626
flat angles P-C4'-P energy: -56.972
tors. eta vs tors. theta energy: -69.005
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: 9, replica: 5
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -712.065272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.065272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.065272 (E_RNA)
where:
Base-Base interactions energy: -387.646
where: short stacking energy: -211.879
Base-Backbone interact. energy: 6.918
local terms energy: -331.337376
where:
bonds (distance) C4'-P energy: -81.670
bonds (distance) P-C4' energy: -105.939
flat angles C4'-P-C4' energy: -89.713
flat angles P-C4'-P energy: -49.853
tors. eta vs tors. theta energy: -4.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -597.526330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.526330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.526330 (E_RNA)
where:
Base-Base interactions energy: -273.983
where: short stacking energy: -162.274
Base-Backbone interact. energy: -1.581
local terms energy: -321.961459
where:
bonds (distance) C4'-P energy: -102.273
bonds (distance) P-C4' energy: -104.115
flat angles C4'-P-C4' energy: -79.752
flat angles P-C4'-P energy: -35.176
tors. eta vs tors. theta energy: -0.646
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: 8
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -2140.322146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.322146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.322146 (E_RNA)
where:
Base-Base interactions energy: -1476.598
where: short stacking energy: -622.366
Base-Backbone interact. energy: -1.937
local terms energy: -661.787786
where:
bonds (distance) C4'-P energy: -110.465
bonds (distance) P-C4' energy: -123.602
flat angles C4'-P-C4' energy: -142.823
flat angles P-C4'-P energy: -96.322
tors. eta vs tors. theta energy: -188.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -2053.263665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.263665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.263665 (E_RNA)
where:
Base-Base interactions energy: -1431.249
where: short stacking energy: -595.017
Base-Backbone interact. energy: 6.149
local terms energy: -628.163732
where:
bonds (distance) C4'-P energy: -120.974
bonds (distance) P-C4' energy: -107.440
flat angles C4'-P-C4' energy: -136.691
flat angles P-C4'-P energy: -92.801
tors. eta vs tors. theta energy: -170.257
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: 7
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -1988.958385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.958385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.958385 (E_RNA)
where:
Base-Base interactions energy: -1372.423
where: short stacking energy: -581.456
Base-Backbone interact. energy: -0.667
local terms energy: -615.867926
where:
bonds (distance) C4'-P energy: -111.605
bonds (distance) P-C4' energy: -107.528
flat angles C4'-P-C4' energy: -122.533
flat angles P-C4'-P energy: -89.715
tors. eta vs tors. theta energy: -184.487
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: 10
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -1832.830896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.830896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.830896 (E_RNA)
where:
Base-Base interactions energy: -1224.705
where: short stacking energy: -533.312
Base-Backbone interact. energy: -1.980
local terms energy: -606.145764
where:
bonds (distance) C4'-P energy: -105.825
bonds (distance) P-C4' energy: -121.444
flat angles C4'-P-C4' energy: -114.647
flat angles P-C4'-P energy: -93.281
tors. eta vs tors. theta energy: -170.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -1827.584623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.584623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.584623 (E_RNA)
where:
Base-Base interactions energy: -1263.718
where: short stacking energy: -498.576
Base-Backbone interact. energy: -2.244
local terms energy: -561.622388
where:
bonds (distance) C4'-P energy: -107.251
bonds (distance) P-C4' energy: -106.429
flat angles C4'-P-C4' energy: -114.829
flat angles P-C4'-P energy: -82.379
tors. eta vs tors. theta energy: -150.736
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: 3
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -1565.713121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.713121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.713121 (E_RNA)
where:
Base-Base interactions energy: -1086.152
where: short stacking energy: -417.416
Base-Backbone interact. energy: 2.179
local terms energy: -481.739973
where:
bonds (distance) C4'-P energy: -89.566
bonds (distance) P-C4' energy: -88.208
flat angles C4'-P-C4' energy: -110.714
flat angles P-C4'-P energy: -71.173
tors. eta vs tors. theta energy: -122.079
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: 2
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -1275.086418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.086418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.086418 (E_RNA)
where:
Base-Base interactions energy: -822.248
where: short stacking energy: -377.258
Base-Backbone interact. energy: -1.996
local terms energy: -450.841992
where:
bonds (distance) C4'-P energy: -93.141
bonds (distance) P-C4' energy: -99.532
flat angles C4'-P-C4' energy: -110.817
flat angles P-C4'-P energy: -56.631
tors. eta vs tors. theta energy: -90.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -1128.685491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.685491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.685491 (E_RNA)
where:
Base-Base interactions energy: -705.450
where: short stacking energy: -327.888
Base-Backbone interact. energy: -0.610
local terms energy: -422.624959
where:
bonds (distance) C4'-P energy: -93.946
bonds (distance) P-C4' energy: -78.544
flat angles C4'-P-C4' energy: -107.278
flat angles P-C4'-P energy: -67.250
tors. eta vs tors. theta energy: -75.609
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: 5
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -763.568745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.568745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.568745 (E_RNA)
where:
Base-Base interactions energy: -389.304
where: short stacking energy: -218.409
Base-Backbone interact. energy: -2.407
local terms energy: -371.858075
where:
bonds (distance) C4'-P energy: -87.932
bonds (distance) P-C4' energy: -104.816
flat angles C4'-P-C4' energy: -83.944
flat angles P-C4'-P energy: -52.854
tors. eta vs tors. theta energy: -42.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -663.527173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.527173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.527173 (E_RNA)
where:
Base-Base interactions energy: -343.214
where: short stacking energy: -170.048
Base-Backbone interact. energy: 0.556
local terms energy: -320.869590
where:
bonds (distance) C4'-P energy: -117.561
bonds (distance) P-C4' energy: -95.638
flat angles C4'-P-C4' energy: -72.932
flat angles P-C4'-P energy: -47.313
tors. eta vs tors. theta energy: 12.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -2162.228577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.228577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.228577 (E_RNA)
where:
Base-Base interactions energy: -1530.976
where: short stacking energy: -609.993
Base-Backbone interact. energy: -1.759
local terms energy: -629.493476
where:
bonds (distance) C4'-P energy: -105.958
bonds (distance) P-C4' energy: -113.843
flat angles C4'-P-C4' energy: -125.196
flat angles P-C4'-P energy: -92.851
tors. eta vs tors. theta energy: -191.645
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: 4
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -2069.123521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.123521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.123521 (E_RNA)
where:
Base-Base interactions energy: -1425.779
where: short stacking energy: -576.050
Base-Backbone interact. energy: -2.002
local terms energy: -641.341945
where:
bonds (distance) C4'-P energy: -123.935
bonds (distance) P-C4' energy: -113.284
flat angles C4'-P-C4' energy: -125.848
flat angles P-C4'-P energy: -101.779
tors. eta vs tors. theta energy: -176.495
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: 3, replica: 7
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -1986.875819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.875819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.875819 (E_RNA)
where:
Base-Base interactions energy: -1387.837
where: short stacking energy: -587.256
Base-Backbone interact. energy: -1.667
local terms energy: -597.372507
where:
bonds (distance) C4'-P energy: -98.670
bonds (distance) P-C4' energy: -107.091
flat angles C4'-P-C4' energy: -132.342
flat angles P-C4'-P energy: -84.731
tors. eta vs tors. theta energy: -174.538
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: 10
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -1855.113260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.113260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.113260 (E_RNA)
where:
Base-Base interactions energy: -1275.242
where: short stacking energy: -538.054
Base-Backbone interact. energy: 1.143
local terms energy: -581.014233
where:
bonds (distance) C4'-P energy: -97.296
bonds (distance) P-C4' energy: -119.493
flat angles C4'-P-C4' energy: -127.371
flat angles P-C4'-P energy: -85.059
tors. eta vs tors. theta energy: -151.795
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: 9
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -1859.114590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.114590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.114590 (E_RNA)
where:
Base-Base interactions energy: -1291.963
where: short stacking energy: -542.798
Base-Backbone interact. energy: 1.161
local terms energy: -568.312651
where:
bonds (distance) C4'-P energy: -106.635
bonds (distance) P-C4' energy: -99.758
flat angles C4'-P-C4' energy: -129.118
flat angles P-C4'-P energy: -79.614
tors. eta vs tors. theta energy: -153.189
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: 3
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -1552.471157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.471157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.471157 (E_RNA)
where:
Base-Base interactions energy: -1030.930
where: short stacking energy: -439.947
Base-Backbone interact. energy: -3.201
local terms energy: -518.340441
where:
bonds (distance) C4'-P energy: -100.453
bonds (distance) P-C4' energy: -111.535
flat angles C4'-P-C4' energy: -112.435
flat angles P-C4'-P energy: -80.632
tors. eta vs tors. theta energy: -113.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -1269.232917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.232917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.232917 (E_RNA)
where:
Base-Base interactions energy: -777.473
where: short stacking energy: -351.905
Base-Backbone interact. energy: 0.108
local terms energy: -491.868445
where:
bonds (distance) C4'-P energy: -86.328
bonds (distance) P-C4' energy: -128.975
flat angles C4'-P-C4' energy: -115.350
flat angles P-C4'-P energy: -72.147
tors. eta vs tors. theta energy: -89.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -1060.278905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.278905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.278905 (E_RNA)
where:
Base-Base interactions energy: -639.943
where: short stacking energy: -291.877
Base-Backbone interact. energy: 0.744
local terms energy: -421.079344
where:
bonds (distance) C4'-P energy: -86.840
bonds (distance) P-C4' energy: -104.878
flat angles C4'-P-C4' energy: -111.832
flat angles P-C4'-P energy: -67.655
tors. eta vs tors. theta energy: -49.875
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: 5
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -702.132252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.132252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.132252 (E_RNA)
where:
Base-Base interactions energy: -376.358
where: short stacking energy: -201.032
Base-Backbone interact. energy: -2.879
local terms energy: -322.894724
where:
bonds (distance) C4'-P energy: -78.578
bonds (distance) P-C4' energy: -109.979
flat angles C4'-P-C4' energy: -84.478
flat angles P-C4'-P energy: -42.295
tors. eta vs tors. theta energy: -7.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -586.813243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.813243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.813243 (E_RNA)
where:
Base-Base interactions energy: -236.526
where: short stacking energy: -156.552
Base-Backbone interact. energy: -1.726
local terms energy: -348.561297
where:
bonds (distance) C4'-P energy: -89.616
bonds (distance) P-C4' energy: -104.174
flat angles C4'-P-C4' energy: -93.922
flat angles P-C4'-P energy: -54.809
tors. eta vs tors. theta energy: -6.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -2166.644764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.644764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.644764 (E_RNA)
where:
Base-Base interactions energy: -1527.319
where: short stacking energy: -634.613
Base-Backbone interact. energy: 0.897
local terms energy: -640.223298
where:
bonds (distance) C4'-P energy: -121.740
bonds (distance) P-C4' energy: -113.117
flat angles C4'-P-C4' energy: -122.856
flat angles P-C4'-P energy: -91.188
tors. eta vs tors. theta energy: -191.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -2050.757435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.757435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.757435 (E_RNA)
where:
Base-Base interactions energy: -1440.309
where: short stacking energy: -578.306
Base-Backbone interact. energy: -0.976
local terms energy: -609.472550
where:
bonds (distance) C4'-P energy: -103.040
bonds (distance) P-C4' energy: -110.400
flat angles C4'-P-C4' energy: -136.591
flat angles P-C4'-P energy: -86.661
tors. eta vs tors. theta energy: -172.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -1952.840763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.840763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.840763 (E_RNA)
where:
Base-Base interactions energy: -1338.181
where: short stacking energy: -580.088
Base-Backbone interact. energy: 2.413
local terms energy: -617.071934
where:
bonds (distance) C4'-P energy: -107.663
bonds (distance) P-C4' energy: -113.444
flat angles C4'-P-C4' energy: -131.379
flat angles P-C4'-P energy: -90.955
tors. eta vs tors. theta energy: -173.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -1866.121577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.121577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.121577 (E_RNA)
where:
Base-Base interactions energy: -1308.041
where: short stacking energy: -535.525
Base-Backbone interact. energy: -3.139
local terms energy: -554.941421
where:
bonds (distance) C4'-P energy: -95.735
bonds (distance) P-C4' energy: -102.747
flat angles C4'-P-C4' energy: -119.527
flat angles P-C4'-P energy: -74.158
tors. eta vs tors. theta energy: -162.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -1791.989757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.989757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.989757 (E_RNA)
where:
Base-Base interactions energy: -1210.451
where: short stacking energy: -520.959
Base-Backbone interact. energy: 2.026
local terms energy: -583.565137
where:
bonds (distance) C4'-P energy: -104.634
bonds (distance) P-C4' energy: -122.721
flat angles C4'-P-C4' energy: -117.714
flat angles P-C4'-P energy: -76.027
tors. eta vs tors. theta energy: -162.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -1567.051135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.051135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.051135 (E_RNA)
where:
Base-Base interactions energy: -1071.271
where: short stacking energy: -456.452
Base-Backbone interact. energy: -0.942
local terms energy: -494.837932
where:
bonds (distance) C4'-P energy: -88.957
bonds (distance) P-C4' energy: -110.001
flat angles C4'-P-C4' energy: -103.353
flat angles P-C4'-P energy: -66.067
tors. eta vs tors. theta energy: -126.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -1320.304243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.304243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.304243 (E_RNA)
where:
Base-Base interactions energy: -850.612
where: short stacking energy: -404.947
Base-Backbone interact. energy: 4.491
local terms energy: -474.182804
where:
bonds (distance) C4'-P energy: -90.611
bonds (distance) P-C4' energy: -97.050
flat angles C4'-P-C4' energy: -116.282
flat angles P-C4'-P energy: -77.874
tors. eta vs tors. theta energy: -92.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -1127.194235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.194235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.194235 (E_RNA)
where:
Base-Base interactions energy: -678.760
where: short stacking energy: -313.268
Base-Backbone interact. energy: 0.793
local terms energy: -449.227949
where:
bonds (distance) C4'-P energy: -97.827
bonds (distance) P-C4' energy: -119.056
flat angles C4'-P-C4' energy: -89.819
flat angles P-C4'-P energy: -58.204
tors. eta vs tors. theta energy: -84.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -753.106071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.106071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.106071 (E_RNA)
where:
Base-Base interactions energy: -410.447
where: short stacking energy: -209.849
Base-Backbone interact. energy: 2.466
local terms energy: -345.124789
where:
bonds (distance) C4'-P energy: -95.797
bonds (distance) P-C4' energy: -102.271
flat angles C4'-P-C4' energy: -86.210
flat angles P-C4'-P energy: -40.550
tors. eta vs tors. theta energy: -20.297
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: 6
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -588.123283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.123283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.123283 (E_RNA)
where:
Base-Base interactions energy: -288.384
where: short stacking energy: -183.306
Base-Backbone interact. energy: -1.899
local terms energy: -297.840570
where:
bonds (distance) C4'-P energy: -82.656
bonds (distance) P-C4' energy: -89.478
flat angles C4'-P-C4' energy: -90.584
flat angles P-C4'-P energy: -36.890
tors. eta vs tors. theta energy: 1.768
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: 8
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -2166.530825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.530825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.530825 (E_RNA)
where:
Base-Base interactions energy: -1493.116
where: short stacking energy: -643.499
Base-Backbone interact. energy: -3.992
local terms energy: -669.422829
where:
bonds (distance) C4'-P energy: -112.162
bonds (distance) P-C4' energy: -118.070
flat angles C4'-P-C4' energy: -141.447
flat angles P-C4'-P energy: -96.256
tors. eta vs tors. theta energy: -201.488
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: 4
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -2082.897792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.897792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.897792 (E_RNA)
where:
Base-Base interactions energy: -1476.187
where: short stacking energy: -601.438
Base-Backbone interact. energy: 0.391
local terms energy: -607.102594
where:
bonds (distance) C4'-P energy: -108.325
bonds (distance) P-C4' energy: -111.530
flat angles C4'-P-C4' energy: -134.518
flat angles P-C4'-P energy: -85.301
tors. eta vs tors. theta energy: -167.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -1941.733853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.733853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.733853 (E_RNA)
where:
Base-Base interactions energy: -1323.818
where: short stacking energy: -552.167
Base-Backbone interact. energy: -2.259
local terms energy: -615.657128
where:
bonds (distance) C4'-P energy: -106.570
bonds (distance) P-C4' energy: -129.818
flat angles C4'-P-C4' energy: -138.032
flat angles P-C4'-P energy: -80.734
tors. eta vs tors. theta energy: -160.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -1918.445524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.445524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.445524 (E_RNA)
where:
Base-Base interactions energy: -1321.437
where: short stacking energy: -581.602
Base-Backbone interact. energy: -1.403
local terms energy: -595.605903
where:
bonds (distance) C4'-P energy: -113.709
bonds (distance) P-C4' energy: -102.898
flat angles C4'-P-C4' energy: -130.773
flat angles P-C4'-P energy: -68.537
tors. eta vs tors. theta energy: -179.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -1765.948550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.948550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.948550 (E_RNA)
where:
Base-Base interactions energy: -1192.877
where: short stacking energy: -518.901
Base-Backbone interact. energy: 0.638
local terms energy: -573.709408
where:
bonds (distance) C4'-P energy: -109.820
bonds (distance) P-C4' energy: -107.045
flat angles C4'-P-C4' energy: -120.020
flat angles P-C4'-P energy: -91.784
tors. eta vs tors. theta energy: -145.040
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: 3
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -1624.684951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.684951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.684951 (E_RNA)
where:
Base-Base interactions energy: -1099.504
where: short stacking energy: -485.056
Base-Backbone interact. energy: 0.885
local terms energy: -526.065238
where:
bonds (distance) C4'-P energy: -102.147
bonds (distance) P-C4' energy: -94.480
flat angles C4'-P-C4' energy: -119.799
flat angles P-C4'-P energy: -65.716
tors. eta vs tors. theta energy: -143.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -1291.525612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.525612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.525612 (E_RNA)
where:
Base-Base interactions energy: -828.048
where: short stacking energy: -379.479
Base-Backbone interact. energy: 3.042
local terms energy: -466.519472
where:
bonds (distance) C4'-P energy: -104.486
bonds (distance) P-C4' energy: -107.949
flat angles C4'-P-C4' energy: -95.907
flat angles P-C4'-P energy: -61.425
tors. eta vs tors. theta energy: -96.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -1050.836607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.836607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.836607 (E_RNA)
where:
Base-Base interactions energy: -636.880
where: short stacking energy: -309.036
Base-Backbone interact. energy: 1.874
local terms energy: -415.831150
where:
bonds (distance) C4'-P energy: -98.323
bonds (distance) P-C4' energy: -90.629
flat angles C4'-P-C4' energy: -101.958
flat angles P-C4'-P energy: -57.146
tors. eta vs tors. theta energy: -67.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -732.221480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.221480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.221480 (E_RNA)
where:
Base-Base interactions energy: -367.555
where: short stacking energy: -188.387
Base-Backbone interact. energy: 4.784
local terms energy: -369.450528
where:
bonds (distance) C4'-P energy: -110.162
bonds (distance) P-C4' energy: -90.050
flat angles C4'-P-C4' energy: -99.280
flat angles P-C4'-P energy: -52.469
tors. eta vs tors. theta energy: -17.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -644.903419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.903419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.903419 (E_RNA)
where:
Base-Base interactions energy: -294.224
where: short stacking energy: -166.014
Base-Backbone interact. energy: -3.466
local terms energy: -347.213806
where:
bonds (distance) C4'-P energy: -84.098
bonds (distance) P-C4' energy: -101.340
flat angles C4'-P-C4' energy: -92.729
flat angles P-C4'-P energy: -64.859
tors. eta vs tors. theta energy: -4.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -2154.907328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.907328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.907328 (E_RNA)
where:
Base-Base interactions energy: -1497.203
where: short stacking energy: -616.246
Base-Backbone interact. energy: -1.793
local terms energy: -655.911813
where:
bonds (distance) C4'-P energy: -110.242
bonds (distance) P-C4' energy: -124.723
flat angles C4'-P-C4' energy: -134.099
flat angles P-C4'-P energy: -90.156
tors. eta vs tors. theta energy: -196.692
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: 497
Temperature: 0.950000
Total energy: -2074.196109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.196109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.196109 (E_RNA)
where:
Base-Base interactions energy: -1447.419
where: short stacking energy: -577.550
Base-Backbone interact. energy: -3.465
local terms energy: -623.311959
where:
bonds (distance) C4'-P energy: -104.096
bonds (distance) P-C4' energy: -112.951
flat angles C4'-P-C4' energy: -135.821
flat angles P-C4'-P energy: -84.780
tors. eta vs tors. theta energy: -185.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -1936.257256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.257256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.257256 (E_RNA)
where:
Base-Base interactions energy: -1334.541
where: short stacking energy: -548.609
Base-Backbone interact. energy: -1.941
local terms energy: -599.775081
where:
bonds (distance) C4'-P energy: -112.673
bonds (distance) P-C4' energy: -113.433
flat angles C4'-P-C4' energy: -134.683
flat angles P-C4'-P energy: -77.359
tors. eta vs tors. theta energy: -161.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -1896.497243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.497243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.497243 (E_RNA)
where:
Base-Base interactions energy: -1331.066
where: short stacking energy: -578.640
Base-Backbone interact. energy: -2.702
local terms energy: -562.729315
where:
bonds (distance) C4'-P energy: -107.204
bonds (distance) P-C4' energy: -103.959
flat angles C4'-P-C4' energy: -121.309
flat angles P-C4'-P energy: -68.681
tors. eta vs tors. theta energy: -161.576
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: 10
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -1708.164463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.164463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.164463 (E_RNA)
where:
Base-Base interactions energy: -1183.095
where: short stacking energy: -505.367
Base-Backbone interact. energy: -1.405
local terms energy: -523.664656
where:
bonds (distance) C4'-P energy: -95.336
bonds (distance) P-C4' energy: -86.601
flat angles C4'-P-C4' energy: -122.115
flat angles P-C4'-P energy: -77.885
tors. eta vs tors. theta energy: -141.727
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: 3
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -1583.626905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.626905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.626905 (E_RNA)
where:
Base-Base interactions energy: -1047.519
where: short stacking energy: -437.249
Base-Backbone interact. energy: -1.151
local terms energy: -534.957103
where:
bonds (distance) C4'-P energy: -111.793
bonds (distance) P-C4' energy: -123.428
flat angles C4'-P-C4' energy: -112.262
flat angles P-C4'-P energy: -69.507
tors. eta vs tors. theta energy: -117.968
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: 2
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -1236.798889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.798889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.798889 (E_RNA)
where:
Base-Base interactions energy: -777.898
where: short stacking energy: -354.878
Base-Backbone interact. energy: -1.017
local terms energy: -457.884255
where:
bonds (distance) C4'-P energy: -105.355
bonds (distance) P-C4' energy: -108.170
flat angles C4'-P-C4' energy: -92.667
flat angles P-C4'-P energy: -73.777
tors. eta vs tors. theta energy: -77.916
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: 497
Temperature: 1.250000
Total energy: -1053.947851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.947851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.947851 (E_RNA)
where:
Base-Base interactions energy: -633.614
where: short stacking energy: -273.302
Base-Backbone interact. energy: -1.513
local terms energy: -418.820412
where:
bonds (distance) C4'-P energy: -109.240
bonds (distance) P-C4' energy: -101.323
flat angles C4'-P-C4' energy: -97.465
flat angles P-C4'-P energy: -58.950
tors. eta vs tors. theta energy: -51.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -707.136126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.136126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.136126 (E_RNA)
where:
Base-Base interactions energy: -365.304
where: short stacking energy: -198.020
Base-Backbone interact. energy: 2.067
local terms energy: -343.899113
where:
bonds (distance) C4'-P energy: -95.387
bonds (distance) P-C4' energy: -103.827
flat angles C4'-P-C4' energy: -76.987
flat angles P-C4'-P energy: -58.651
tors. eta vs tors. theta energy: -9.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -606.133526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.133526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.133526 (E_RNA)
where:
Base-Base interactions energy: -287.841
where: short stacking energy: -152.571
Base-Backbone interact. energy: 2.489
local terms energy: -320.781404
where:
bonds (distance) C4'-P energy: -76.839
bonds (distance) P-C4' energy: -95.457
flat angles C4'-P-C4' energy: -77.234
flat angles P-C4'-P energy: -61.762
tors. eta vs tors. theta energy: -9.489
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: 1, replica: 8
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -2160.818120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.818120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.818120 (E_RNA)
where:
Base-Base interactions energy: -1505.400
where: short stacking energy: -621.599
Base-Backbone interact. energy: -5.796
local terms energy: -649.622503
where:
bonds (distance) C4'-P energy: -117.775
bonds (distance) P-C4' energy: -115.110
flat angles C4'-P-C4' energy: -134.834
flat angles P-C4'-P energy: -86.931
tors. eta vs tors. theta energy: -194.973
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: 498
Temperature: 0.950000
Total energy: -2055.334932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.334932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.334932 (E_RNA)
where:
Base-Base interactions energy: -1434.675
where: short stacking energy: -570.909
Base-Backbone interact. energy: -1.058
local terms energy: -619.601253
where:
bonds (distance) C4'-P energy: -112.444
bonds (distance) P-C4' energy: -110.699
flat angles C4'-P-C4' energy: -128.772
flat angles P-C4'-P energy: -99.501
tors. eta vs tors. theta energy: -168.184
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: 3, replica: 9
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -1950.978204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.978204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.978204 (E_RNA)
where:
Base-Base interactions energy: -1352.509
where: short stacking energy: -554.087
Base-Backbone interact. energy: -4.430
local terms energy: -594.039144
where:
bonds (distance) C4'-P energy: -104.368
bonds (distance) P-C4' energy: -112.787
flat angles C4'-P-C4' energy: -124.207
flat angles P-C4'-P energy: -89.064
tors. eta vs tors. theta energy: -163.613
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: 7
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -1890.885931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.885931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.885931 (E_RNA)
where:
Base-Base interactions energy: -1308.820
where: short stacking energy: -561.654
Base-Backbone interact. energy: 3.818
local terms energy: -585.884416
where:
bonds (distance) C4'-P energy: -92.246
bonds (distance) P-C4' energy: -112.408
flat angles C4'-P-C4' energy: -119.992
flat angles P-C4'-P energy: -87.500
tors. eta vs tors. theta energy: -173.738
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: 10
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -1731.769734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.769734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.769734 (E_RNA)
where:
Base-Base interactions energy: -1169.525
where: short stacking energy: -477.373
Base-Backbone interact. energy: -2.721
local terms energy: -559.523872
where:
bonds (distance) C4'-P energy: -119.262
bonds (distance) P-C4' energy: -105.771
flat angles C4'-P-C4' energy: -119.169
flat angles P-C4'-P energy: -79.981
tors. eta vs tors. theta energy: -135.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -1587.164484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.164484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.164484 (E_RNA)
where:
Base-Base interactions energy: -1040.449
where: short stacking energy: -432.665
Base-Backbone interact. energy: -3.715
local terms energy: -543.000340
where:
bonds (distance) C4'-P energy: -105.192
bonds (distance) P-C4' energy: -115.812
flat angles C4'-P-C4' energy: -120.409
flat angles P-C4'-P energy: -75.276
tors. eta vs tors. theta energy: -126.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -1201.158824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.158824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.158824 (E_RNA)
where:
Base-Base interactions energy: -749.282
where: short stacking energy: -341.768
Base-Backbone interact. energy: -0.878
local terms energy: -450.998655
where:
bonds (distance) C4'-P energy: -106.226
bonds (distance) P-C4' energy: -101.796
flat angles C4'-P-C4' energy: -100.827
flat angles P-C4'-P energy: -66.810
tors. eta vs tors. theta energy: -75.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -1047.621952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.621952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.621952 (E_RNA)
where:
Base-Base interactions energy: -652.633
where: short stacking energy: -301.077
Base-Backbone interact. energy: 4.063
local terms energy: -399.051674
where:
bonds (distance) C4'-P energy: -92.534
bonds (distance) P-C4' energy: -107.371
flat angles C4'-P-C4' energy: -96.184
flat angles P-C4'-P energy: -43.411
tors. eta vs tors. theta energy: -59.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -755.160478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.160478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.160478 (E_RNA)
where:
Base-Base interactions energy: -407.222
where: short stacking energy: -196.683
Base-Backbone interact. energy: 1.664
local terms energy: -349.602304
where:
bonds (distance) C4'-P energy: -101.509
bonds (distance) P-C4' energy: -110.032
flat angles C4'-P-C4' energy: -62.268
flat angles P-C4'-P energy: -61.480
tors. eta vs tors. theta energy: -14.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -650.916732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.916732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.916732 (E_RNA)
where:
Base-Base interactions energy: -296.312
where: short stacking energy: -183.748
Base-Backbone interact. energy: 2.897
local terms energy: -357.501111
where:
bonds (distance) C4'-P energy: -121.151
bonds (distance) P-C4' energy: -104.713
flat angles C4'-P-C4' energy: -77.038
flat angles P-C4'-P energy: -36.614
tors. eta vs tors. theta energy: -17.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -2190.449960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.449960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.449960 (E_RNA)
where:
Base-Base interactions energy: -1515.209
where: short stacking energy: -628.120
Base-Backbone interact. energy: -2.808
local terms energy: -672.432863
where:
bonds (distance) C4'-P energy: -124.694
bonds (distance) P-C4' energy: -111.833
flat angles C4'-P-C4' energy: -143.857
flat angles P-C4'-P energy: -98.340
tors. eta vs tors. theta energy: -193.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -2072.018153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.018153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.018153 (E_RNA)
where:
Base-Base interactions energy: -1436.846
where: short stacking energy: -584.901
Base-Backbone interact. energy: -1.574
local terms energy: -633.598140
where:
bonds (distance) C4'-P energy: -123.805
bonds (distance) P-C4' energy: -120.827
flat angles C4'-P-C4' energy: -139.788
flat angles P-C4'-P energy: -80.998
tors. eta vs tors. theta energy: -168.180
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: 499
Temperature: 1.000000
Total energy: -1924.520806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.520806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.520806 (E_RNA)
where:
Base-Base interactions energy: -1349.314
where: short stacking energy: -558.091
Base-Backbone interact. energy: -4.842
local terms energy: -570.364889
where:
bonds (distance) C4'-P energy: -110.244
bonds (distance) P-C4' energy: -106.772
flat angles C4'-P-C4' energy: -122.604
flat angles P-C4'-P energy: -73.760
tors. eta vs tors. theta energy: -156.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -1903.537866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.537866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.537866 (E_RNA)
where:
Base-Base interactions energy: -1325.502
where: short stacking energy: -546.399
Base-Backbone interact. energy: 3.363
local terms energy: -581.398361
where:
bonds (distance) C4'-P energy: -115.305
bonds (distance) P-C4' energy: -100.675
flat angles C4'-P-C4' energy: -123.155
flat angles P-C4'-P energy: -81.980
tors. eta vs tors. theta energy: -160.283
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: 10
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -1740.491666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.491666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.491666 (E_RNA)
where:
Base-Base interactions energy: -1170.083
where: short stacking energy: -484.912
Base-Backbone interact. energy: 0.089
local terms energy: -570.497805
where:
bonds (distance) C4'-P energy: -113.482
bonds (distance) P-C4' energy: -108.848
flat angles C4'-P-C4' energy: -121.399
flat angles P-C4'-P energy: -76.929
tors. eta vs tors. theta energy: -149.841
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: 3
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -1578.637896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.637896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.637896 (E_RNA)
where:
Base-Base interactions energy: -1069.130
where: short stacking energy: -455.044
Base-Backbone interact. energy: -3.404
local terms energy: -506.104502
where:
bonds (distance) C4'-P energy: -91.432
bonds (distance) P-C4' energy: -110.682
flat angles C4'-P-C4' energy: -108.729
flat angles P-C4'-P energy: -70.530
tors. eta vs tors. theta energy: -124.732
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: 2
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -1251.083552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.083552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.083552 (E_RNA)
where:
Base-Base interactions energy: -795.557
where: short stacking energy: -371.453
Base-Backbone interact. energy: -0.966
local terms energy: -454.561138
where:
bonds (distance) C4'-P energy: -107.840
bonds (distance) P-C4' energy: -89.027
flat angles C4'-P-C4' energy: -102.229
flat angles P-C4'-P energy: -75.097
tors. eta vs tors. theta energy: -80.370
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: 8, replica: 1
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -1026.977740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.977740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.977740 (E_RNA)
where:
Base-Base interactions energy: -646.299
where: short stacking energy: -285.288
Base-Backbone interact. energy: -1.954
local terms energy: -378.725099
where:
bonds (distance) C4'-P energy: -89.485
bonds (distance) P-C4' energy: -83.735
flat angles C4'-P-C4' energy: -100.869
flat angles P-C4'-P energy: -49.000
tors. eta vs tors. theta energy: -55.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -761.958535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.958535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.958535 (E_RNA)
where:
Base-Base interactions energy: -398.725
where: short stacking energy: -210.297
Base-Backbone interact. energy: -1.730
local terms energy: -361.504145
where:
bonds (distance) C4'-P energy: -93.750
bonds (distance) P-C4' energy: -108.854
flat angles C4'-P-C4' energy: -90.315
flat angles P-C4'-P energy: -47.885
tors. eta vs tors. theta energy: -20.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -637.970768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.970768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.970768 (E_RNA)
where:
Base-Base interactions energy: -280.130
where: short stacking energy: -142.093
Base-Backbone interact. energy: 0.423
local terms energy: -358.264009
where:
bonds (distance) C4'-P energy: -100.313
bonds (distance) P-C4' energy: -109.991
flat angles C4'-P-C4' energy: -107.239
flat angles P-C4'-P energy: -43.746
tors. eta vs tors. theta energy: 3.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -2173.671369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.671369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.671369 (E_RNA)
where:
Base-Base interactions energy: -1512.003
where: short stacking energy: -617.406
Base-Backbone interact. energy: -2.912
local terms energy: -658.755504
where:
bonds (distance) C4'-P energy: -117.572
bonds (distance) P-C4' energy: -123.551
flat angles C4'-P-C4' energy: -137.961
flat angles P-C4'-P energy: -84.529
tors. eta vs tors. theta energy: -195.144
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: 2, replica: 4
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -2088.986432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.986432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.986432 (E_RNA)
where:
Base-Base interactions energy: -1461.165
where: short stacking energy: -590.580
Base-Backbone interact. energy: 1.035
local terms energy: -628.857194
where:
bonds (distance) C4'-P energy: -119.254
bonds (distance) P-C4' energy: -111.283
flat angles C4'-P-C4' energy: -132.869
flat angles P-C4'-P energy: -86.674
tors. eta vs tors. theta energy: -178.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -1951.517370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.517370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.517370 (E_RNA)
where:
Base-Base interactions energy: -1332.896
where: short stacking energy: -585.228
Base-Backbone interact. energy: -0.400
local terms energy: -618.221142
where:
bonds (distance) C4'-P energy: -104.937
bonds (distance) P-C4' energy: -123.607
flat angles C4'-P-C4' energy: -124.108
flat angles P-C4'-P energy: -82.141
tors. eta vs tors. theta energy: -183.429
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: 9
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -1927.772314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.772314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.772314 (E_RNA)
where:
Base-Base interactions energy: -1335.696
where: short stacking energy: -544.399
Base-Backbone interact. energy: -0.755
local terms energy: -591.320738
where:
bonds (distance) C4'-P energy: -106.003
bonds (distance) P-C4' energy: -114.408
flat angles C4'-P-C4' energy: -119.919
flat angles P-C4'-P energy: -83.166
tors. eta vs tors. theta energy: -167.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -1709.106609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.106609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.106609 (E_RNA)
where:
Base-Base interactions energy: -1174.112
where: short stacking energy: -493.810
Base-Backbone interact. energy: -2.629
local terms energy: -532.365037
where:
bonds (distance) C4'-P energy: -103.233
bonds (distance) P-C4' energy: -97.269
flat angles C4'-P-C4' energy: -120.505
flat angles P-C4'-P energy: -75.605
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: 6, replica: 3
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -1557.296386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.296386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.296386 (E_RNA)
where:
Base-Base interactions energy: -1060.628
where: short stacking energy: -457.793
Base-Backbone interact. energy: -0.564
local terms energy: -496.104264
where:
bonds (distance) C4'-P energy: -89.257
bonds (distance) P-C4' energy: -92.260
flat angles C4'-P-C4' energy: -121.740
flat angles P-C4'-P energy: -57.390
tors. eta vs tors. theta energy: -135.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -1230.850681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.850681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.850681 (E_RNA)
where:
Base-Base interactions energy: -802.779
where: short stacking energy: -359.916
Base-Backbone interact. energy: -0.913
local terms energy: -427.159043
where:
bonds (distance) C4'-P energy: -88.159
bonds (distance) P-C4' energy: -84.335
flat angles C4'-P-C4' energy: -109.295
flat angles P-C4'-P energy: -61.930
tors. eta vs tors. theta energy: -83.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -983.703694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.703694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.703694 (E_RNA)
where:
Base-Base interactions energy: -585.659
where: short stacking energy: -274.020
Base-Backbone interact. energy: 1.876
local terms energy: -399.920453
where:
bonds (distance) C4'-P energy: -96.963
bonds (distance) P-C4' energy: -100.794
flat angles C4'-P-C4' energy: -92.922
flat angles P-C4'-P energy: -54.345
tors. eta vs tors. theta energy: -54.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -713.168595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.168595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.168595 (E_RNA)
where:
Base-Base interactions energy: -361.579
where: short stacking energy: -198.771
Base-Backbone interact. energy: -2.282
local terms energy: -349.307762
where:
bonds (distance) C4'-P energy: -89.116
bonds (distance) P-C4' energy: -100.283
flat angles C4'-P-C4' energy: -107.392
flat angles P-C4'-P energy: -42.889
tors. eta vs tors. theta energy: -9.629
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: 5
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -774.824715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.824715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.824715 (E_RNA)
where:
Base-Base interactions energy: -440.366
where: short stacking energy: -202.532
Base-Backbone interact. energy: -0.016
local terms energy: -334.442576
where:
bonds (distance) C4'-P energy: -95.845
bonds (distance) P-C4' energy: -83.534
flat angles C4'-P-C4' energy: -73.149
flat angles P-C4'-P energy: -60.500
tors. eta vs tors. theta energy: -21.414
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: 8
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -2191.032222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.032222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.032222 (E_RNA)
where:
Base-Base interactions energy: -1512.437
where: short stacking energy: -624.699
Base-Backbone interact. energy: -3.386
local terms energy: -675.209114
where:
bonds (distance) C4'-P energy: -124.352
bonds (distance) P-C4' energy: -109.896
flat angles C4'-P-C4' energy: -141.317
flat angles P-C4'-P energy: -98.950
tors. eta vs tors. theta energy: -200.693
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: 2, replica: 4
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -2115.391743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.391743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.391743 (E_RNA)
where:
Base-Base interactions energy: -1493.387
where: short stacking energy: -605.127
Base-Backbone interact. energy: 1.486
local terms energy: -623.491638
where:
bonds (distance) C4'-P energy: -113.273
bonds (distance) P-C4' energy: -124.862
flat angles C4'-P-C4' energy: -127.720
flat angles P-C4'-P energy: -79.147
tors. eta vs tors. theta energy: -178.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -1928.774224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.774224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.774224 (E_RNA)
where:
Base-Base interactions energy: -1301.192
where: short stacking energy: -535.647
Base-Backbone interact. energy: -0.995
local terms energy: -626.586757
where:
bonds (distance) C4'-P energy: -118.294
bonds (distance) P-C4' energy: -120.031
flat angles C4'-P-C4' energy: -124.820
flat angles P-C4'-P energy: -87.355
tors. eta vs tors. theta energy: -176.087
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: 4, replica: 9
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -1908.046065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.046065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.046065 (E_RNA)
where:
Base-Base interactions energy: -1309.995
where: short stacking energy: -536.217
Base-Backbone interact. energy: -5.926
local terms energy: -592.125903
where:
bonds (distance) C4'-P energy: -113.334
bonds (distance) P-C4' energy: -112.680
flat angles C4'-P-C4' energy: -130.961
flat angles P-C4'-P energy: -75.268
tors. eta vs tors. theta energy: -159.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -1784.175505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.175505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.175505 (E_RNA)
where:
Base-Base interactions energy: -1230.417
where: short stacking energy: -508.505
Base-Backbone interact. energy: -2.462
local terms energy: -551.296159
where:
bonds (distance) C4'-P energy: -102.435
bonds (distance) P-C4' energy: -111.265
flat angles C4'-P-C4' energy: -108.348
flat angles P-C4'-P energy: -82.368
tors. eta vs tors. theta energy: -146.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -1485.576595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.576595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.576595 (E_RNA)
where:
Base-Base interactions energy: -1011.549
where: short stacking energy: -422.844
Base-Backbone interact. energy: -0.069
local terms energy: -473.958491
where:
bonds (distance) C4'-P energy: -90.666
bonds (distance) P-C4' energy: -96.888
flat angles C4'-P-C4' energy: -108.401
flat angles P-C4'-P energy: -66.907
tors. eta vs tors. theta energy: -111.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -1219.210547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.210547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.210547 (E_RNA)
where:
Base-Base interactions energy: -777.780
where: short stacking energy: -372.213
Base-Backbone interact. energy: 0.562
local terms energy: -441.992792
where:
bonds (distance) C4'-P energy: -79.980
bonds (distance) P-C4' energy: -107.463
flat angles C4'-P-C4' energy: -99.001
flat angles P-C4'-P energy: -77.770
tors. eta vs tors. theta energy: -77.778
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: 8, replica: 1
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -973.628853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.628853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.628853 (E_RNA)
where:
Base-Base interactions energy: -553.099
where: short stacking energy: -271.044
Base-Backbone interact. energy: -0.740
local terms energy: -419.789978
where:
bonds (distance) C4'-P energy: -104.951
bonds (distance) P-C4' energy: -96.022
flat angles C4'-P-C4' energy: -90.838
flat angles P-C4'-P energy: -73.205
tors. eta vs tors. theta energy: -54.774
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: 6
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -716.995661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.995661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.995661 (E_RNA)
where:
Base-Base interactions energy: -348.510
where: short stacking energy: -189.479
Base-Backbone interact. energy: -2.618
local terms energy: -365.867750
where:
bonds (distance) C4'-P energy: -93.553
bonds (distance) P-C4' energy: -108.252
flat angles C4'-P-C4' energy: -92.353
flat angles P-C4'-P energy: -52.753
tors. eta vs tors. theta energy: -18.956
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: 10, replica: 5
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -705.976225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.976225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.976225 (E_RNA)
where:
Base-Base interactions energy: -370.326
where: short stacking energy: -177.999
Base-Backbone interact. energy: 1.337
local terms energy: -336.987240
where:
bonds (distance) C4'-P energy: -90.719
bonds (distance) P-C4' energy: -101.259
flat angles C4'-P-C4' energy: -82.753
flat angles P-C4'-P energy: -57.067
tors. eta vs tors. theta energy: -5.190
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)
replica 8 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 120108767
moves confirmed later: 136461512
all moves confirmed: 256570279
percent of confirmed moves: 32.071285
current total energy: -2064.474811
recalc. total energy: -2064.474811
replica 4 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 92478095
moves confirmed later: 100195910
all moves confirmed: 192674005
percent of confirmed moves: 24.084251
current total energy: -1962.756615
recalc. total energy: -1962.756615
replica 7 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 92425819
moves confirmed later: 100051122
all moves confirmed: 192476941
percent of confirmed moves: 24.059618
current total energy: -1896.275311
recalc. total energy: -1896.275311
replica 9 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 105649871
moves confirmed later: 117354848
all moves confirmed: 223004719
percent of confirmed moves: 27.875590
current total energy: -1780.081868
recalc. total energy: -1780.081868
replica 10 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 129751781
moves confirmed later: 149134258
all moves confirmed: 278886039
percent of confirmed moves: 34.860755
current total energy: -1604.276023
recalc. total energy: -1604.276023
replica 3 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 137961716
moves confirmed later: 159205318
all moves confirmed: 297167034
percent of confirmed moves: 37.145879
current total energy: -1391.181269
recalc. total energy: -1391.181269
replica 2 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 187992137
moves confirmed later: 225424988
all moves confirmed: 413417125
percent of confirmed moves: 51.677141
current total energy: -1046.391335
recalc. total energy: -1046.391335
replica 1 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 139253774
moves confirmed later: 160506538
all moves confirmed: 299760312
percent of confirmed moves: 37.470039
current total energy: -878.486734
recalc. total energy: -878.486734
replica 5 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 196940987
moves confirmed later: 237305078
all moves confirmed: 434246065
percent of confirmed moves: 54.280758
current total energy: -579.040910
recalc. total energy: -579.040910
replica 6 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 197493468
moves confirmed later: 237392981
all moves confirmed: 434886449
percent of confirmed moves: 54.360806
current total energy: -530.191952
recalc. total energy: -530.191952
out arg RESULTS//1/viet-60e855be_01
Time of doing 8000000 iterations: 40668.736 seconds